Z4YK18_MOUSE Loading...

VWFA and cache domain-containing protein 1

May regulate voltage-dependent calcium channels.

AlphaFold DB , UniProt , Accession Z4YK18, Species MOUSE (Mus musculus, Mouse), Gene Cachd1, Length 1,210 aa.

						>Z4YK18_MOUSE|Z4YK18|Cachd1
MAREPEEEETVRPAAVVRRCPRCPGWPGAPRPPLWLLCLVACWILGAVADADFSILDEAQVLASQMRRLAAEELGVVTMQRIFNSLVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGNFNTNVSRTVSCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADAVRTCSLDQCYKTYLSPATSETKRKMSTFVSSVKPSDSPTQHAVGFHRAFQLIRSTSNSTRFQANTDMVIIYLSAGITSKDSSEEDKKATLRVINEENGFLNNSVMILTYALMNDGVTGLKELAFLRDLAEQNSGKYGIPDRTALPVIKGSMMVLNQLSNLETTVGRFYTNLPNRMIDEAVFSLPFSDEMGDGLIMTVSKPCYFGNLLLGIVGVDVNLAYILEDVTYYQDSLASYTFLIDDKGYTLMHPSLTRPYLLSEPPLHTDIIHYENIPKFELVRQNILSLPLGSQIITVPVNSSLSWHINKLRETGKEAYNVSYAWKMVQDTSFILCIVVIQPEIPVKQLKNLNTVPSSKLLYHRLDLLGQPSACLHFKQLATLESPTVMLSAGSFSSPYEHLSQPETKRMVEHYTAYLSDNTRLIANPGLKFSVRNEVMATSHVTDEWMTQMEMSSLNTYIVRRYIATPNGVLRIYPGSLMDKAFDPTRRQWYLHAVANPGLISLTGPYLDVGGAGYVVTISHTIHSSSTQLSSGHTVAVMGIDFTLRYFYKVLMDLLPVCNQDGGNKIRCFIMEDRGYLVAHPTLVDPKGHAPLEQQHITHKEPLVANDILNHPNFVKKNLCNSFSDRTVQRSYKFNTSLVGDLTNLVHGSHCSKYRLTRIPGTNAFVGIVNETCDSLAFCACSMVDRLCLNCHRMEQNECECPCECPLEVNECTGNLTNAENRNPSCEVHQEPVTYTAIDPGLQDALQQCVNSRCNQRMESGDCFGVLDCEWCVVDSDGKTHLDKSYCAPQKECFGGIVGAKSPYVDDMGAIGDEVITLNMIKSAPVGPVAGGIMGCIMVLVLAVYAYRHQIHRRSHQHMSPLAAQEMSVRMSNLENDRDERDDDSHEDRGIISNTRFIAAVMERHVHSPERRRRYWGRSGTESDHG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	32.2	Very low	248 Å²	248	167.9 Å²	167.9	100%	1.222	85%	0.851	S	S	*	*				0	117.7	0	-92.8	171.5	163.8	0	0	107.2
2	A	31.4	Very low	32.2	Very low	95 Å²	95	173.3 Å²	173.3	79%	0.785	85%	0.853	S	S	*	*			trans	-3.9	139.4	162.4	0	0	0	0	0	118
3	R	30.7	Very low	32.5	Very low	237 Å²	237	169.9 Å²	169.9	89%	0.894	85%	0.852	S	S	*	*			cis	-166.1	127.4	32.7	-112.8	162	-174.9	177.7	0.8	110.3
4	E	33.8	Very low	32.1	Very low	185 Å²	185	165.2 Å²	165.2	86%	0.864	85%	0.852	S	S	*	*			trans	28.5	154.6	130.7	-97	178.5	-167.9	0	0	124.6
5	P	49.4	Very low	31.9	Very low	105 Å²	105	160.9 Å²	160.9	68%	0.682	85%	0.851	S	S	*	*				-139.8	174.6	-88.2	42.6	-23.9	0	0	0	117.7
6	E	31.9	Very low	31.7	Very low	174 Å²	174	159.1 Å²	159.1	81%	0.813	85%	0.848	S	S	*	*			trans	44.2	120.8	142.6	-69.6	171.7	174.2	0	0	121.8
7	E	32.4	Very low	31.5	Very low	187 Å²	187	157.5 Å²	157.5	87%	0.874	85%	0.845	S	S	*	*				86.1	115.5	66.4	-155	179.9	-120.1	0	0	112.7
8	E	27.7	Very low	31.2	Very low	201 Å²	201	162 Å²	162	94%	0.939	85%	0.848	S	S	*	*			trans	-155	115.2	163.8	-140.6	175.3	-159.4	0	0	112
9	E	28.8	Very low	30.9	Very low	174 Å²	174	166.2 Å²	166.2	81%	0.813	85%	0.851	S	S	*	*			trans	-126.8	147.3	162.6	-160.3	-178.5	-150.3	0	0	107.7
10	T	27.1	Very low	30.7	Very low	118 Å²	118	163.5 Å²	163.5	72%	0.724	85%	0.847	S	S	*	*			trans	110.6	110.6	160	69.4	0	0	0	0	121.2
11	V	27.4	Very low	31.5	Very low	123 Å²	123	160.7 Å²	160.7	75%	0.745	84%	0.839	S	S	*	*				71.9	115.6	122.9	-177.7	0	0	0	0	121.8
12	R	31.5	Very low	31.3	Very low	233 Å²	233	160.4 Å²	160.4	88%	0.879	82%	0.824	S	S	*	*			trans	58	144.1	150.5	-75.9	-177.7	-170.8	-167	4.9	118.1
13	P	36.5	Very low	31.3	Very low	129 Å²	129	161.8 Å²	161.8	84%	0.838	83%	0.827	S	S	*	*				-159.5	-176.7	80.8	39.6	-16.1	0	0	0	118.2
14	A	26.8	Very low	31.8	Very low	104 Å²	104	156.8 Å²	156.8	86%	0.86	83%	0.825	S	S	*	*			trans	-66.2	163.9	176.5	0	0	0	0	0	115.5
15	A	29.1	Very low	31.5	Very low	101 Å²	101	151.7 Å²	151.7	84%	0.835	82%	0.822	S	S	*	*			trans	-115.2	135.9	176.4	0	0	0	0	0	113.3
16	V	28.6	Very low	30.7	Very low	132 Å²	132	158.8 Å²	158.8	80%	0.8	84%	0.835	S	S	*	*			trans	-129.7	146.1	167.3	167.9	0	0	0	0	106.7
17	V	27.9	Very low	31.3	Very low	132 Å²	132	156.5 Å²	156.5	80%	0.8	84%	0.835	S	S	*	*			trans	165.4	115	147.2	155.5	0	0	0	0	107.4
18	R	26.6	Very low	31.1	Very low	238 Å²	238	151.4 Å²	151.4	90%	0.898	83%	0.833	S	S	*	*				84	129.9	68.1	-89.7	-170.6	-179.8	-173.8	2.2	116.4
19	R	25.5	Very low	31.5	Very low	241 Å²	241	146.5 Å²	146.5	91%	0.909	83%	0.827	S	S	*	*			trans	-61.5	164.6	177	-62.9	173	167.6	175.1	-5	113.8
20	C	27.4	Very low	31.9	Very low	112 Å²	112	144 Å²	144	76%	0.757	83%	0.826	S	S	*	*				167.3	-166.1	56.5	-127	0	0	0	0	107.6
21	P	47.4	Very low	32.8	Very low	105 Å²	105	150.1 Å²	150.1	68%	0.682	84%	0.836	S	S	*	*				-140	-176.3	-57.3	38	-16.9	0	0	0	117
22	R	28.5	Very low	33.3	Very low	243 Å²	243	149.5 Å²	149.5	92%	0.917	83%	0.834	S	S	*	*			trans	112.4	131.7	147.5	-75.7	-179.4	177.4	-179	-0.2	122.7
23	C	31.5	Very low	33.8	Very low	124 Å²	124	143 Å²	143	84%	0.838	82%	0.822	S	S	*	*			trans	-89	173.9	176.2	-47.8	0	0	0	0	114
24	P	42.2	Very low	34.3	Very low	132 Å²	132	143.9 Å²	143.9	86%	0.857	82%	0.819	S	S	*	*				-147.4	157.6	75.2	34.9	-13.3	0	0	0	115
25	G	27.3	Very low	35.1	Very low	77 Å²	77	149 Å²	149	79%	0.794	82%	0.816	S	S	*	*				130.8	130.7	78.1	0	0	0	0	0	111.5
26	W	32.8	Very low	35.7	Very low	254 Å²	254	150.1 Å²	150.1	96%	0.962	81%	0.808	S	S	*	*			trans	-79.5	173.2	178.3	-86.3	34.3	0	0	0	112.8
27	P	43.6	Very low	36.6	Very low	126 Å²	126	150.2 Å²	150.2	82%	0.818	80%	0.803	S	S	*	*			cis	-151.5	177.6	31.8	40.8	-17.8	0	0	0	119.2
28	G	29.6	Very low	37.4	Very low	80 Å²	80	148 Å²	148	83%	0.825	79%	0.793	S	S	*	*			trans	121.7	116.4	148.2	0	0	0	0	0	118.9
29	A	34.9	Very low	38.2	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	78%	0.776	S	S	*	*			trans	-81.1	163.4	176.7	0	0	0	0	0	113.1
30	P	38.3	Very low	39.3	Very low	123 Å²	123	134.1 Å²	134.1	80%	0.799	76%	0.756	S	S	*	*				-141.4	162.1	74.7	34.3	-15	0	0	0	115.5
31	R	45.9	Very low	40.1	Very low	245 Å²	245	130.9 Å²	130.9	93%	0.925	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-69.2	137.6	176.6	-67.2	174.9	171.4	175.5	-3.9	112.4
32	P	38.4	Very low	39.7	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-99.5	165	155.9	31.9	-19	0	0	0	111.6
33	P	41.3	Very low	40.1	Very low	96 Å²	96	129 Å²	129	62%	0.623	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-82.8	154.7	-154.3	32.8	-34	0	0	0	114	W35 L36	P33-W35 PolarHBondContact O-N 3.08Å; P33-L36 PolarHBondContact O-N 2.88Å
34	L	47.3	Very low	40.6	Very low	147 Å²	147	129.1 Å²	129.1	77%	0.77	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-11.4	-176.7	-94.7	94.8	0	0	0	116.4
35	W	43.1	Very low	40.4	Very low	213 Å²	213	129.8 Å²	129.8	81%	0.807	72%	0.716	S	S	*	*	H	α-helix	trans	-73.1	-27.4	-177.6	-101.4	59	0	0	0	114.3	P33 L39	P33-W35 PolarHBondContact O-N 3.08Å; W35-L39 PolarHBondContact O-N 3.28Å
36	L	42.9	Very low	40.7	Very low	124 Å²	124	129.2 Å²	129.2	65%	0.649	71%	0.711	S	S	*	*	H	α-helix	trans	-77.5	-24.5	177.5	-99	135	0	0	0	113.3	P33 V40	P33-L36 PolarHBondContact O-N 2.88Å; L36-V40 WeakPolarHBondContact O-CG2 3.32Å; L36-V40 PolarHBondContact O-N 2.92Å
37	L	46.5	Very low	40.6	Very low	134 Å²	134	120.5 Å²	120.5	70%	0.702	69%	0.693	S	S	*	*	H	α-helix	trans	-75.6	-30.4	174.3	-89.5	153.1	0	0	0	112.4	A41	L37-A41 VanDerWaalsContact O-CB 3.26Å; L37-A41 WeakPolarHBondContact O-CB 3.44Å; L37-A41 PolarHBondContact O-N 2.76Å
38	C	44.7	Very low	40.2	Very low	86 Å²	86	120.9 Å²	120.9	58%	0.581	69%	0.693	S	S	*	*	H	α-helix	trans	-71.8	-33.2	173.6	-77.3	0	0	0	0	112.9	C42	C38-C42 WeakPolarHBondContact O-CB 3.43Å; C38-C42 PolarHBondContact O-N 3.38Å
39	L	43.8	Very low	40.3	Very low	106 Å²	106	121.1 Å²	121.1	56%	0.555	69%	0.686	S	S	*	*	H	α-helix	trans	-73.8	-34.5	177.5	-82.4	160.3	0	0	0	112.8	W35 W43	W35-L39 PolarHBondContact O-N 3.28Å; L39-W43 PolarHBondContact O-N 3.39Å
40	V	48.9	Very low	40.4	Very low	80 Å²	80	123.7 Å²	123.7	49%	0.485	69%	0.687	S	S	.	*	H	α-helix	trans	-73.9	-35	172.4	178	0	0	0	0	111.2	L36 W43 I44	L36-V40 WeakPolarHBondContact O-CG2 3.32Å; L36-V40 PolarHBondContact O-N 2.92Å; V40-W43 PolarHBondContact O-N 3.24Å; V40-I44 HydrophobicContact CG1-CD1 3.79Å; V40-I44 HydrophobicContact CG1-CG1 4.44Å; V40-I44 WeakPolarHBondContact O-CB 3.45Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.35Å; V40-I44 PolarHBondContact O-N 3.41Å
41	A	44.3	Very low	40.5	Very low	45 Å²	45	122.2 Å²	122.2	37%	0.372	69%	0.685	S	S	.	*	H	α-helix	trans	-66.7	-36.5	171.9	0	0	0	0	0	112.6	L37 I44 L45	L37-A41 VanDerWaalsContact O-CB 3.26Å; L37-A41 WeakPolarHBondContact O-CB 3.44Å; L37-A41 PolarHBondContact O-N 2.76Å; A41-I44 PolarHBondContact O-N 3.13Å; A41-L45 VanDerWaalsContact O-CB 3.28Å; A41-L45 WeakPolarHBondContact O-CB 3.38Å; A41-L45 WeakPolarHBondContact O-CD1 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.33Å; A41-L45 PolarHBondContact O-N 3.47Å
42	C	39.2	Very low	40.9	Very low	90 Å²	90	118 Å²	118	61%	0.608	68%	0.68	S	S	*	*	H	α-helix	trans	-71.2	-28.9	173	-90.2	0	0	0	0	113.5	C38 G46	C38-C42 WeakPolarHBondContact O-CB 3.43Å; C38-C42 PolarHBondContact O-N 3.38Å; C42-G46 PolarHBondContact O-N 2.97Å
43	W	36.9	Very low	42.4	Very low	217 Å²	217	115.8 Å²	115.8	82%	0.822	66%	0.66	S	S	*	*	H	α-helix	trans	-76.6	-29.7	172.3	-95.8	58.9	0	0	0	113.1	L39 V40	L39-W43 PolarHBondContact O-N 3.39Å; V40-W43 PolarHBondContact O-N 3.24Å
44	I	41.2	Very low	44.3	Very low	128 Å²	128	113 Å²	113	66%	0.656	64%	0.642	S	S	*	*	H	α-helix	trans	-81.5	-26	174.6	-64.7	170.8	0	0	0	111.7	V40 A41	V40-I44 HydrophobicContact CG1-CD1 3.79Å; V40-I44 HydrophobicContact CG1-CG1 4.44Å; V40-I44 WeakPolarHBondContact O-CB 3.45Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.35Å; V40-I44 PolarHBondContact O-N 3.41Å; A41-I44 PolarHBondContact O-N 3.13Å
45	L	37.4	Very low	46.1	Very low	145 Å²	145	106 Å²	106	76%	0.759	61%	0.606	S	S	*	*	H	α-helix	trans	-87.7	-10.1	172.1	-73.9	161.3	0	0	0	113.8	A41	A41-L45 VanDerWaalsContact O-CB 3.28Å; A41-L45 WeakPolarHBondContact O-CB 3.38Å; A41-L45 WeakPolarHBondContact O-CD1 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.33Å; A41-L45 PolarHBondContact O-N 3.47Å
46	G	32.9	Very low	48.2	Very low	66 Å²	66	99.5 Å²	99.5	68%	0.68	59%	0.587	S	S	*	*	S	Bend	trans	-96.9	3	176.3	0	0	0	0	0	114.8	C42	C42-G46 PolarHBondContact O-N 2.97Å
47	A	32	Very low	50.4	Low	70 Å²	70	98.7 Å²	98.7	58%	0.579	58%	0.583	S	S	*	*			trans	-128.8	52.4	-180	0	0	0	0	0	111.1	A49	A47-A49 PolarHBondContact O-N 3.12Å
48	V	34.3	Very low	52.4	Low	135 Å²	135	94.1 Å²	94.1	82%	0.818	56%	0.558	S	S	*	*			trans	-85.8	72	145.4	-176.2	0	0	0	0	105.3
49	A	33.3	Very low	54.6	Low	84 Å²	84	90 Å²	90	69%	0.694	53%	0.53	S	S	*	.			trans	-66.5	134.8	160.7	0	0	0	0	0	107	A47 A51	A47-A49 PolarHBondContact O-N 3.12Å; A49-A51 PolarHBondContact O-N 3.17Å; A49-A51 VanDerWaalsContact O-N 3.14Å
50	D	35.5	Very low	56.9	Low	153 Å²	153	89.4 Å²	89.4	82%	0.818	53%	0.525	S	S	*	.			trans	-14.9	104	174.1	-72	-46.9	0	0	0	114.2	D52	D50-D52 PolarHBondContact O-N 3.43Å; D50-D52 VanDerWaalsContact O-N 3.12Å
51	A	39.8	Very low	59	Low	91 Å²	91	88.4 Å²	88.4	75%	0.752	52%	0.519	S	S	*	.			trans	-65.9	109.2	155.8	0	0	0	0	0	105.9	A49 F53	A49-A51 PolarHBondContact O-N 3.17Å; A49-A51 VanDerWaalsContact O-N 3.14Å; A51-F53 PolarHBondContact O-N 2.89Å
52	D	54.5	Low	61.4	Low	156 Å²	156	86.3 Å²	86.3	83%	0.834	50%	0.501	S	S	*	.			trans	-48.5	111.4	177.6	-86.3	-38.5	0	0	0	109.8	D50 S54	D50-D52 PolarHBondContact O-N 3.43Å; D50-D52 VanDerWaalsContact O-N 3.12Å; D52-S54 PolarHBondContact O-N 3.14Å
53	F	69.9	Low	63.9	Low	65 Å²	65	82 Å²	82	29%	0.285	47%	0.472	S	S	.	.			trans	-61.1	119.4	179.7	173.4	-104.7	0	0	0	110	A51 I55 E58 V841 R939 I952	A51-F53 PolarHBondContact O-N 2.89Å; F53-I55 HydrophobicContact CE1-CB 4.48Å; F53-E58 HydrophobicContact CE2-CG 3.77Å; F53-E58 HydrophobicContact CZ-CG 4.14Å; F53-V841 HydrophobicContact CD2-CG2 3.57Å; F53-V841 HydrophobicContact CE2-CB 4.06Å; F53-V841 HydrophobicContact CE2-CG1 4.44Å; F53-V841 HydrophobicContact CE2-CG2 3.41Å; F53-V841 VanDerWaalsContact CE2-CG2 3.41Å; F53-V841 HydrophobicContact CG-CG2 4.43Å; F53-V841 HydrophobicContact CZ-CB 4.39Å; F53-V841 HydrophobicContact CZ-CG1 4.43Å; F53-V841 HydrophobicContact CZ-CG2 4.17Å; F53-R939 PolarHBondContact O-NH1 3.11Å; F53-I952 HydrophobicContact CE1-CD1 3.69Å; F53-I952 HydrophobicContact CZ-CD1 3.31Å
54	S	82.6	Confident	66.7	Low	38 Å²	38	74.6 Å²	74.6	27%	0.266	45%	0.453	S	S	.	.			trans	-117.7	109.1	-177.8	168.6	0	0	0	0	110.2	D52 L56 D57 E58	D52-S54 PolarHBondContact O-N 3.14Å; S54-L56 PolarHBondContact O-N 3.32Å; S54-D57 WeakPolarHBondContact CB-OD2 3.48Å; S54-D57 PolarHBondContact O-N 3.45Å; S54-D57 PolarHBondContact OG-OD2 3.03Å; S54-E58 PolarHBondContact O-N 3.33Å
55	I	84.9	Confident	69.2	Low	1 Å²	1	69.4 Å²	69.4	1%	0.005	43%	0.426	C	S	.	.	H	α-helix	trans	-63.6	-23.3	178.4	-167.4	172.7	0	0	0	112.3	F53 E58 A59 D925 R939 T941 I952	F53-I55 HydrophobicContact CE1-CB 4.48Å; I55-E58 PolarHBondContact O-N 2.83Å; I55-A59 WeakPolarHBondContact O-CB 3.42Å; I55-A59 PolarHBondContact O-N 3.35Å; I55-D925 HydrophobicContact CG2-CB 3.46Å; I55-D925 VanDerWaalsContact CG2-CB 3.46Å; I55-R939 HydrophobicContact CB-CB 4.46Å; I55-R939 HydrophobicContact CD1-CB 3.71Å; I55-R939 WeakPolarHBondContact CD1-O 3.44Å; I55-R939 HydrophobicContact CG2-CB 4.25Å; I55-T941 HydrophobicContact CD1-CG2 4.28Å; I55-T941 HydrophobicContact CG1-CG2 3.92Å; I55-T941 HydrophobicContact CG2-CG2 4.22Å; I55-I952 HydrophobicContact CD1-CD1 4.11Å; I55-I952 HydrophobicContact CD1-CG1 4.13Å; I55-I952 HydrophobicContact CG1-CD1 4.18Å
56	L	87.3	Confident	71.9	Confident	76 Å²	76	62.5 Å²	62.5	40%	0.398	39%	0.39	S	S	.	.	H	α-helix	trans	-66.6	-39.8	177.4	-69	171.1	0	0	0	111.7	S54 A59 Q60 T941	S54-L56 PolarHBondContact O-N 3.32Å; L56-A59 PolarHBondContact O-N 2.99Å; L56-Q60 PolarHBondContact O-N 2.94Å; L56-Q60 VanDerWaalsContact O-N 3.13Å; L56-T941 HydrophobicContact CD2-CG2 4.49Å; L56-T941 WeakPolarHBondContact CD2-OG1 3.36Å
57	D	88.9	Confident	74.9	Confident	107 Å²	107	64.2 Å²	64.2	57%	0.572	38%	0.376	S	S	*	.	H	α-helix	trans	-69.7	-41.6	177.8	-63.7	-49.2	0	0	0	110.5	S54 A59 Q60 V61	S54-D57 WeakPolarHBondContact CB-OD2 3.48Å; S54-D57 PolarHBondContact O-N 3.45Å; S54-D57 PolarHBondContact OG-OD2 3.03Å; D57-A59 PolarHBondContact O-N 3.33Å; D57-Q60 WeakPolarHBondContact O-CB 3.14Å; D57-Q60 PolarHBondContact O-N 3.03Å; D57-Q60 VanDerWaalsContact O-N 3.12Å; D57-V61 PolarHBondContact O-N 3.08Å; D57-V61 VanDerWaalsContact O-N 3.07Å
58	E	89.1	Confident	77.8	Confident	37 Å²	37	66.2 Å²	66.2	17%	0.173	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-41.1	174.5	-61.9	-61	172	0	0	112.5	F53 S54 I55 Q60 V61 L62 L839	F53-E58 HydrophobicContact CE2-CG 3.77Å; F53-E58 HydrophobicContact CZ-CG 4.14Å; S54-E58 PolarHBondContact O-N 3.33Å; I55-E58 PolarHBondContact O-N 2.83Å; E58-Q60 PolarHBondContact O-N 3.09Å; E58-V61 WeakPolarHBondContact O-CB 3.28Å; E58-V61 PolarHBondContact O-N 3.48Å; E58-V61 VanDerWaalsContact O-N 3.17Å; E58-L62 PolarHBondContact O-N 3.44Å; E58-L839 HydrophobicContact CB-CD2 4.16Å; E58-L839 HydrophobicContact CB-CG 4.11Å; E58-L839 HydrophobicContact CG-CG 4.37Å
59	A	90.6	Very high	80.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-32.1	175.2	0	0	0	0	0	112.2	I55 L56 D57 A63 T941 V950	I55-A59 WeakPolarHBondContact O-CB 3.42Å; I55-A59 PolarHBondContact O-N 3.35Å; L56-A59 PolarHBondContact O-N 2.99Å; D57-A59 PolarHBondContact O-N 3.33Å; A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.06Å; A59-T941 HydrophobicContact CB-CG2 3.45Å; A59-T941 VanDerWaalsContact CB-CG2 3.45Å; A59-V950 HydrophobicContact CB-CG1 3.87Å
60	Q	92.3	Very high	83.5	Confident	93 Å²	93	56.1 Å²	56.1	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-71.5	-35.3	174.7	-175.4	67.5	-10.5	0	0	112	L56 D57 E58 A63 S64	L56-Q60 PolarHBondContact O-N 2.94Å; L56-Q60 VanDerWaalsContact O-N 3.13Å; D57-Q60 WeakPolarHBondContact O-CB 3.14Å; D57-Q60 PolarHBondContact O-N 3.03Å; D57-Q60 VanDerWaalsContact O-N 3.12Å; E58-Q60 PolarHBondContact O-N 3.09Å; Q60-A63 PolarHBondContact O-N 2.94Å; Q60-S64 PolarHBondContact O-N 3.27Å
61	V	92.9	Very high	86.1	Confident	59 Å²	59	50.6 Å²	50.6	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-49.9	171.6	176.6	0	0	0	0	110	D57 E58 A63 S64 Q65 L838	D57-V61 PolarHBondContact O-N 3.08Å; D57-V61 VanDerWaalsContact O-N 3.07Å; E58-V61 WeakPolarHBondContact O-CB 3.28Å; E58-V61 PolarHBondContact O-N 3.48Å; E58-V61 VanDerWaalsContact O-N 3.17Å; V61-A63 VanDerWaalsContact C-N 3.31Å; V61-A63 PolarHBondContact O-N 3.43Å; V61-S64 WeakPolarHBondContact O-CB 3.13Å; V61-S64 PolarHBondContact O-N 2.9Å; V61-S64 VanDerWaalsContact O-N 3.12Å; V61-S64 PolarHBondContact O-OG 2.96Å; V61-Q65 PolarHBondContact O-N 3.14Å; V61-L838 HydrophobicContact CG1-CB 4.41Å; V61-L838 HydrophobicContact CG1-CD1 4.47Å; V61-L838 HydrophobicContact CG1-CD2 4.25Å
62	L	93.1	Very high	88.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-43.1	174.6	-75.2	170.7	0	0	0	112	E58 S64 Q65 M66 V834 L835 L838 L839 I943 V950	E58-L62 PolarHBondContact O-N 3.44Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.32Å; L62-Q65 WeakPolarHBondContact O-CB 3.29Å; L62-Q65 PolarHBondContact O-N 2.93Å; L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 3.01Å; L62-V834 HydrophobicContact CD2-CG1 4.35Å; L62-L835 HydrophobicContact CD1-CD1 4.43Å; L62-L838 HydrophobicContact CD2-CD1 3.92Å; L62-L839 HydrophobicContact CD1-CD1 3.82Å; L62-L839 HydrophobicContact CD2-CD1 4Å; L62-L839 HydrophobicContact CG-CD1 3.78Å; L62-I943 HydrophobicContact CB-CD1 4.44Å; L62-I943 HydrophobicContact CB-CG2 4.21Å; L62-I943 HydrophobicContact CD1-CD1 4.26Å; L62-V950 HydrophobicContact CD1-CB 3.91Å; L62-V950 HydrophobicContact CD1-CG1 4.23Å; L62-V950 HydrophobicContact CD1-CG2 3.68Å
63	A	93.2	Very high	90.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-37.4	177	0	0	0	0	0	112.9	A59 Q60 V61 Q65 M66 R67 I943 P944	A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.06Å; Q60-A63 PolarHBondContact O-N 2.94Å; V61-A63 VanDerWaalsContact C-N 3.31Å; V61-A63 PolarHBondContact O-N 3.43Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; A63-M66 PolarHBondContact O-N 3.04Å; A63-R67 WeakPolarHBondContact O-CG 3.49Å; A63-R67 PolarHBondContact O-N 3.18Å; A63-I943 HydrophobicContact CB-CG2 3.81Å; A63-P944 HydrophobicContact CB-CB 4.24Å; A63-P944 HydrophobicContact CB-CG 4.47Å; A63-P944 VanDerWaalsContact CB-O 3.22Å; A63-P944 WeakPolarHBondContact CB-O 3.35Å
64	S	94.9	Very high	91.4	Very high	61 Å²	61	41 Å²	41	43%	0.427	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-40.9	174.5	79.8	0	0	0	0	111.5	Q60 V61 L62 R67 R68	Q60-S64 PolarHBondContact O-N 3.27Å; V61-S64 WeakPolarHBondContact O-CB 3.13Å; V61-S64 PolarHBondContact O-N 2.9Å; V61-S64 VanDerWaalsContact O-N 3.12Å; V61-S64 PolarHBondContact O-OG 2.96Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.32Å; S64-R67 PolarHBondContact O-N 3.14Å; S64-R68 PolarHBondContact O-N 3.29Å
65	Q	94.2	Very high	91.9	Very high	19 Å²	19	39.3 Å²	39.3	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-47.2	175	-177.4	68.3	-1.2	0	0	111.3	V61 L62 A63 R67 R68 L69 V834 L838	V61-Q65 PolarHBondContact O-N 3.14Å; L62-Q65 WeakPolarHBondContact O-CB 3.29Å; L62-Q65 PolarHBondContact O-N 2.93Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; Q65-R67 VanDerWaalsContact C-N 3.33Å; Q65-R67 PolarHBondContact O-N 2.84Å; Q65-R68 VanDerWaalsContact NE2-NH2 3.2Å; Q65-R68 WeakPolarHBondContact O-CB 3.46Å; Q65-R68 PolarHBondContact O-N 3.19Å; Q65-R68 VanDerWaalsContact O-N 3.11Å; Q65-L69 WeakPolarHBondContact O-CG 3.43Å; Q65-L69 PolarHBondContact O-N 3.49Å; Q65-V834 HydrophobicContact CG-CG1 4.13Å; Q65-L838 HydrophobicContact CB-CD1 3.87Å; Q65-L838 HydrophobicContact CG-CD1 3.96Å
66	M	94.1	Very high	92.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-40.3	178.7	-63.6	-56.9	165.8	0	0	111.9	L62 A63 R68 L69 A70 I784 L786 I802 F831 T946	L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 3.01Å; A63-M66 PolarHBondContact O-N 3.04Å; M66-R68 VanDerWaalsContact C-N 3.33Å; M66-R68 PolarHBondContact O-N 3.29Å; M66-L69 PolarHBondContact O-N 2.96Å; M66-L69 HydrophobicContact SD-CD1 4.29Å; M66-A70 PolarHBondContact O-N 3.17Å; M66-I784 HydrophobicContact CB-CD1 4.16Å; M66-L786 HydrophobicContact CE-CD2 4.41Å; M66-I802 HydrophobicContact SD-CD1 4.02Å; M66-F831 HydrophobicContact CE-CD1 4.05Å; M66-F831 HydrophobicContact CE-CE1 3.91Å; M66-F831 HydrophobicContact SD-CE1 4.12Å; M66-T946 HydrophobicContact CB-CG2 4.15Å; M66-T946 HydrophobicContact CG-CG2 4.3Å
67	R	94.5	Very high	92.4	Very high	103 Å²	103	39.9 Å²	39.9	39%	0.389	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-39.7	173.7	-72.1	178.9	-145.2	126.2	7.5	112	A63 S64 Q65 A70 A71 I784 P944	A63-R67 WeakPolarHBondContact O-CG 3.49Å; A63-R67 PolarHBondContact O-N 3.18Å; S64-R67 PolarHBondContact O-N 3.14Å; Q65-R67 VanDerWaalsContact C-N 3.33Å; Q65-R67 PolarHBondContact O-N 2.84Å; R67-A70 PolarHBondContact O-N 3.02Å; R67-A71 VanDerWaalsContact O-CB 3.22Å; R67-A71 WeakPolarHBondContact O-CB 3.3Å; R67-A71 PolarHBondContact O-N 2.97Å; R67-I784 HydrophobicContact CG-CD1 4.07Å; R67-P944 PolarHBondContact NH2-O 2.92Å
68	R	93.3	Very high	92.5	Very high	112 Å²	112	36.8 Å²	36.8	42%	0.423	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-47.7	176	-166.7	176.7	70.8	-169	7.5	111.3	S64 Q65 M66 A70 A71 E72	S64-R68 PolarHBondContact O-N 3.29Å; Q65-R68 VanDerWaalsContact NE2-NH2 3.2Å; Q65-R68 WeakPolarHBondContact O-CB 3.46Å; Q65-R68 PolarHBondContact O-N 3.19Å; Q65-R68 VanDerWaalsContact O-N 3.11Å; M66-R68 VanDerWaalsContact C-N 3.33Å; M66-R68 PolarHBondContact O-N 3.29Å; R68-A70 VanDerWaalsContact C-N 3.35Å; R68-A70 PolarHBondContact O-N 3.39Å; R68-A71 PolarHBondContact O-N 2.88Å; R68-E72 WeakPolarHBondContact CD-OE2 3.47Å; R68-E72 HydrophobicContact CG-CG 4.16Å; R68-E72 WeakPolarHBondContact CG-OE2 3.42Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 PolarHBondContact O-N 2.82Å
69	L	93.6	Very high	92.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.182	C	C	.	.	I	π-helix	trans	-59	-44.4	175.9	-61.9	177.4	0	0	0	111.9	Q65 M66 E73 L74 L738 I802 F826 Y830	Q65-L69 WeakPolarHBondContact O-CG 3.43Å; Q65-L69 PolarHBondContact O-N 3.49Å; M66-L69 PolarHBondContact O-N 2.96Å; M66-L69 HydrophobicContact SD-CD1 4.29Å; L69-E73 HydrophobicContact CD2-CG 4.07Å; L69-E73 WeakPolarHBondContact O-CB 3.36Å; L69-E73 PolarHBondContact O-N 3.03Å; L69-L74 PolarHBondContact O-N 3.18Å; L69-L74 VanDerWaalsContact O-N 3.07Å; L69-L738 HydrophobicContact CD2-CD1 3.41Å; L69-L738 VanDerWaalsContact CD2-CD1 3.41Å; L69-I802 HydrophobicContact CB-CD1 4.24Å; L69-I802 HydrophobicContact CD1-CD1 3.77Å; L69-F826 HydrophobicContact CD1-CZ 4.22Å; L69-F826 HydrophobicContact CD2-CE1 4.48Å; L69-F826 HydrophobicContact CD2-CZ 4.07Å; L69-Y830 HydrophobicContact CD1-CE1 4.18Å; L69-Y830 WeakPolarHBondContact CD2-OH 3.41Å
70	A	93.1	Very high	92.5	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	19%	0.188	C	C	.	.	I	π-helix	trans	-68.1	-37.9	178.5	0	0	0	0	0	113.1	M66 R67 R68 G75 V76 I784	M66-A70 PolarHBondContact O-N 3.17Å; R67-A70 PolarHBondContact O-N 3.02Å; R68-A70 VanDerWaalsContact C-N 3.35Å; R68-A70 PolarHBondContact O-N 3.39Å; A70-G75 PolarHBondContact O-N 2.75Å; A70-V76 HydrophobicContact CB-CG2 4.45Å; A70-V76 WeakPolarHBondContact O-CB 3.28Å; A70-V76 VanDerWaalsContact O-CG2 3.26Å; A70-V76 WeakPolarHBondContact O-CG2 2.96Å; A70-V76 PolarHBondContact O-N 3.39Å; A70-V76 VanDerWaalsContact O-N 3.12Å; A70-I784 HydrophobicContact CB-CD1 3.94Å; A70-I784 HydrophobicContact CB-CG1 4.12Å
71	A	91.4	Very high	92.4	Very high	37 Å²	37	39.2 Å²	39.2	31%	0.306	20%	0.195	S	C	.	.	I	π-helix	trans	-80.5	-47.4	-176.3	0	0	0	0	0	113	R67 R68 G75 V77	R67-A71 VanDerWaalsContact O-CB 3.22Å; R67-A71 WeakPolarHBondContact O-CB 3.3Å; R67-A71 PolarHBondContact O-N 2.97Å; R68-A71 PolarHBondContact O-N 2.88Å; A71-G75 WeakPolarHBondContact O-CA 3.28Å; A71-V77 HydrophobicContact CB-CG2 3.96Å
72	E	90.9	Very high	92.1	Very high	103 Å²	103	37.9 Å²	37.9	48%	0.481	19%	0.185	S	C	.	.	I	π-helix	trans	-91.2	-51.9	-172.5	-62.7	175.1	-176	0	0	111.7	R68	R68-E72 WeakPolarHBondContact CD-OE2 3.47Å; R68-E72 HydrophobicContact CG-CG 4.16Å; R68-E72 WeakPolarHBondContact CG-OE2 3.42Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 PolarHBondContact O-N 2.82Å
73	E	93	Very high	91.8	Very high	8 Å²	8	38 Å²	38	4%	0.037	19%	0.186	C	C	.	.	I	π-helix	trans	-77.7	-40.2	-175.3	-64.2	-61.7	155.8	0	0	113.3	L69 S736 L738 I742 R745 I824	L69-E73 HydrophobicContact CD2-CG 4.07Å; L69-E73 WeakPolarHBondContact O-CB 3.36Å; L69-E73 PolarHBondContact O-N 3.03Å; E73-S736 VanDerWaalsContact OE1-CB 3.29Å; E73-S736 WeakPolarHBondContact OE1-CB 3.26Å; E73-S736 PolarHBondContact OE1-OG 3.02Å; E73-S736 PolarHBondContact OE2-OG 3.29Å; E73-L738 HydrophobicContact CG-CD1 3.93Å; E73-I742 HydrophobicContact CB-CD1 4.35Å; E73-I742 HydrophobicContact CG-CD1 4.17Å; E73-I742 VanDerWaalsContact OE2-CD1 3.28Å; E73-I742 WeakPolarHBondContact OE2-CD1 3.3Å; E73-R745 WeakPolarHBondContact O-CD 3.07Å; E73-R745 PolarHBondContact O-NE 2.58Å; E73-R745 IonicContact OE2-CZ 3.71Å; E73-R745 IonicContact OE2-NH2 3.76Å; E73-R745 PolarHBondContact OE2-NH2 2.82Å; E73-I824 HydrophobicContact CB-CD1 3.92Å
74	L	92.4	Very high	91.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-88.8	-30.6	-179.4	-175.3	56.4	0	0	0	112.4	L69 V76 W729 M822 G823 I824	L69-L74 PolarHBondContact O-N 3.18Å; L69-L74 VanDerWaalsContact O-N 3.07Å; L74-V76 HydrophobicContact CB-CG2 4.26Å; L74-V76 HydrophobicContact CD2-CG2 3.67Å; L74-V76 HydrophobicContact CG-CG2 3.85Å; L74-W729 PolarHBondContact O-NE1 2.99Å; L74-M822 HydrophobicContact CD1-CB 3.87Å; L74-M822 HydrophobicContact CD1-CE 4.21Å; L74-M822 HydrophobicContact CD2-CB 3.8Å; L74-M822 HydrophobicContact CG-CB 3.85Å; L74-M822 HydrophobicContact CG-CE 4.27Å; L74-M822 WeakPolarHBondContact O-CE 3.29Å; L74-G823 VanDerWaalsContact CD1-O 3.31Å; L74-G823 WeakPolarHBondContact CD1-O 3.42Å; L74-I824 HydrophobicContact CB-CG2 4.39Å; L74-I824 HydrophobicContact CD1-CB 4.1Å; L74-I824 HydrophobicContact CD1-CG2 4.38Å; L74-I824 HydrophobicContact CD2-CG2 4.32Å
75	G	92.4	Very high	91.1	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	21%	0.212	C	C	.	.			trans	83.3	22.9	178.6	0	0	0	0	0	115	A70 A71 V77 T78 M79	A70-G75 PolarHBondContact O-N 2.75Å; A71-G75 WeakPolarHBondContact O-CA 3.28Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 2.85Å; G75-T78 PolarHBondContact O-N 2.75Å; G75-M79 PolarHBondContact O-N 2.89Å
76	V	92.2	Very high	90.7	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-43.3	-173.7	171.9	0	0	0	0	112.5	A70 L74 T78 M79 Q80 H804 I806 M822	A70-V76 HydrophobicContact CB-CG2 4.45Å; A70-V76 WeakPolarHBondContact O-CB 3.28Å; A70-V76 VanDerWaalsContact O-CG2 3.26Å; A70-V76 WeakPolarHBondContact O-CG2 2.96Å; A70-V76 PolarHBondContact O-N 3.39Å; A70-V76 VanDerWaalsContact O-N 3.12Å; L74-V76 HydrophobicContact CB-CG2 4.26Å; L74-V76 HydrophobicContact CD2-CG2 3.67Å; L74-V76 HydrophobicContact CG-CG2 3.85Å; V76-T78 PolarHBondContact O-N 3.27Å; V76-M79 PolarHBondContact O-N 3.45Å; V76-Q80 VanDerWaalsContact O-CB 3.27Å; V76-Q80 WeakPolarHBondContact O-CB 3.21Å; V76-Q80 PolarHBondContact O-N 3.01Å; V76-H804 HydrophobicContact CG1-CB 4.36Å; V76-H804 WeakPolarHBondContact CG1-ND1 3.38Å; V76-H804 HydrophobicContact CG2-CB 3.84Å; V76-I806 HydrophobicContact CG1-CD1 3.91Å; V76-M822 HydrophobicContact CG2-SD 4.32Å
77	V	90.9	Very high	90.2	Very high	79 Å²	79	47 Å²	47	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-41.6	-177.5	179.7	0	0	0	0	111.1	A71 G75 R81	A71-V77 HydrophobicContact CB-CG2 3.96Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 2.85Å; V77-R81 PolarHBondContact O-N 2.87Å; V77-R81 VanDerWaalsContact O-N 3.09Å
78	T	90	Very high	89.6	Confident	42 Å²	42	44 Å²	44	26%	0.258	23%	0.229	S	C	.	.	H	α-helix	trans	-65.3	-46.6	176.8	-63.6	0	0	0	0	110.6	G75 V76 Q80 R81 I82	G75-T78 PolarHBondContact O-N 2.75Å; V76-T78 PolarHBondContact O-N 3.27Å; T78-Q80 PolarHBondContact O-N 3.2Å; T78-R81 WeakPolarHBondContact O-CB 3.29Å; T78-R81 PolarHBondContact O-N 2.82Å; T78-I82 HydrophobicContact CG2-CD1 4.01Å; T78-I82 WeakPolarHBondContact O-CG1 3.25Å; T78-I82 PolarHBondContact O-N 2.83Å
79	M	90.2	Very high	89	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-41.1	179.4	-156.9	65.5	-131.7	0	0	112.2	G75 V76 R81 I82 F83 A721 V725 I747 I806 M822	G75-M79 PolarHBondContact O-N 2.89Å; V76-M79 PolarHBondContact O-N 3.45Å; M79-R81 VanDerWaalsContact C-N 3.31Å; M79-R81 PolarHBondContact O-N 3.48Å; M79-I82 HydrophobicContact CE-CB 4.05Å; M79-I82 HydrophobicContact CE-CD1 4.24Å; M79-I82 HydrophobicContact CE-CG2 3.78Å; M79-I82 WeakPolarHBondContact O-CB 3.32Å; M79-I82 PolarHBondContact O-N 2.62Å; M79-I82 VanDerWaalsContact O-N 3.16Å; M79-I82 HydrophobicContact SD-CD1 4.14Å; M79-F83 HydrophobicContact CE-CD2 3.44Å; M79-F83 VanDerWaalsContact CE-CD2 3.44Å; M79-F83 HydrophobicContact CE-CE2 3.17Å; M79-F83 HydrophobicContact CE-CZ 4.17Å; M79-F83 HydrophobicContact CG-CD2 3.87Å; M79-F83 HydrophobicContact CG-CE2 3.79Å; M79-F83 WeakPolarHBondContact O-CD2 3.49Å; M79-F83 PolarHBondContact O-N 3.34Å; M79-F83 HydrophobicContact SD-CD2 4.48Å; M79-F83 HydrophobicContact SD-CE2 4.22Å; M79-A721 WeakPolarHBondContact CE-O 3.27Å; M79-V725 HydrophobicContact SD-CB 4.02Å; M79-V725 HydrophobicContact SD-CG2 4.4Å; M79-I747 HydrophobicContact CG-CD1 3.94Å; M79-I747 HydrophobicContact SD-CD1 4.33Å; M79-I806 HydrophobicContact CB-CD1 4.18Å; M79-I806 HydrophobicContact CG-CG1 4.48Å; M79-M822 HydrophobicContact CB-CE 4.23Å; M79-M822 HydrophobicContact CB-SD 3.52Å; M79-M822 VanDerWaalsContact CB-SD 3.52Å; M79-M822 HydrophobicContact CG-CE 4.4Å; M79-M822 HydrophobicContact CG-SD 3.77Å
80	Q	90.7	Very high	88.2	Confident	30 Å²	30	47.2 Å²	47.2	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-40.3	175	-174.2	59.8	69.1	0	0	111.7	V76 T78 N84 I806 H807	V76-Q80 VanDerWaalsContact O-CB 3.27Å; V76-Q80 WeakPolarHBondContact O-CB 3.21Å; V76-Q80 PolarHBondContact O-N 3.01Å; T78-Q80 PolarHBondContact O-N 3.2Å; Q80-N84 PolarHBondContact NE2-OD1 2.95Å; Q80-N84 WeakPolarHBondContact O-CB 3.45Å; Q80-N84 PolarHBondContact O-N 3.43Å; Q80-N84 PolarHBondContact O-ND2 3.4Å; Q80-N84 PolarHBondContact O-OD1 3.47Å; Q80-I806 HydrophobicContact CB-CD1 4.44Å; Q80-H807 PolarHBondContact NE2-O 2.89Å
81	R	88.9	Confident	87.2	Confident	151 Å²	151	50.5 Å²	50.5	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-63	-42.2	174.5	-170.1	-170.4	-57.6	112.2	1.5	111.7	V77 T78 M79 N84 S85	V77-R81 PolarHBondContact O-N 2.87Å; V77-R81 VanDerWaalsContact O-N 3.09Å; T78-R81 WeakPolarHBondContact O-CB 3.29Å; T78-R81 PolarHBondContact O-N 2.82Å; M79-R81 VanDerWaalsContact C-N 3.31Å; M79-R81 PolarHBondContact O-N 3.48Å; R81-N84 PolarHBondContact O-N 2.88Å; R81-S85 PolarHBondContact O-N 3.5Å
82	I	87.6	Confident	86.2	Confident	31 Å²	31	54.7 Å²	54.7	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-54.1	176.9	-68.4	156.7	0	0	0	109.8	T78 M79 N84 S85 L86 H724	T78-I82 HydrophobicContact CG2-CD1 4.01Å; T78-I82 WeakPolarHBondContact O-CG1 3.25Å; T78-I82 PolarHBondContact O-N 2.83Å; M79-I82 HydrophobicContact CE-CB 4.05Å; M79-I82 HydrophobicContact CE-CD1 4.24Å; M79-I82 HydrophobicContact CE-CG2 3.78Å; M79-I82 WeakPolarHBondContact O-CB 3.32Å; M79-I82 PolarHBondContact O-N 2.62Å; M79-I82 VanDerWaalsContact O-N 3.16Å; M79-I82 HydrophobicContact SD-CD1 4.14Å; I82-N84 VanDerWaalsContact C-N 3.25Å; I82-N84 PolarHBondContact O-N 3.1Å; I82-S85 WeakPolarHBondContact O-CA 3.46Å; I82-S85 WeakPolarHBondContact O-CB 3.47Å; I82-S85 PolarHBondContact O-N 2.86Å; I82-S85 PolarHBondContact O-OG 3.34Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 2.92Å; I82-H724 HydrophobicContact CD1-CB 3.66Å; I82-H724 HydrophobicContact CG1-CB 4.48Å; I82-H724 HydrophobicContact CG2-CB 4.22Å
83	F	86.9	Confident	85.1	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-30.9	-179.8	-85.8	-88	0	0	0	113.2	M79 S85 L86 Y88 L630 A721 I747 I806 V819 A820	M79-F83 HydrophobicContact CE-CD2 3.44Å; M79-F83 VanDerWaalsContact CE-CD2 3.44Å; M79-F83 HydrophobicContact CE-CE2 3.17Å; M79-F83 HydrophobicContact CE-CZ 4.17Å; M79-F83 HydrophobicContact CG-CD2 3.87Å; M79-F83 HydrophobicContact CG-CE2 3.79Å; M79-F83 WeakPolarHBondContact O-CD2 3.49Å; M79-F83 PolarHBondContact O-N 3.34Å; M79-F83 HydrophobicContact SD-CD2 4.48Å; M79-F83 HydrophobicContact SD-CE2 4.22Å; F83-S85 PolarHBondContact O-N 3.03Å; F83-L86 HydrophobicContact CD1-CD1 3.97Å; F83-L86 HydrophobicContact CE1-CD1 4.37Å; F83-L86 HydrophobicContact CG-CD1 4.35Å; F83-L86 PolarHBondContact O-N 2.8Å; F83-Y88 WeakPolarHBondContact CD1-OH 3.38Å; F83-Y88 WeakPolarHBondContact O-CE2 3.26Å; F83-Y88 PolarHBondContact O-OH 2.97Å; F83-L630 HydrophobicContact CE1-CD1 4.27Å; F83-A721 HydrophobicContact CE1-CB 4.18Å; F83-A721 HydrophobicContact CZ-CB 4.16Å; F83-I747 HydrophobicContact CE2-CD1 4.43Å; F83-I806 HydrophobicContact CB-CG2 3.93Å; F83-I806 HydrophobicContact CD2-CG2 3.53Å; F83-I806 HydrophobicContact CE2-CG2 4.12Å; F83-I806 HydrophobicContact CG-CG2 3.82Å; F83-V819 HydrophobicContact CB-CG2 4.38Å; F83-V819 HydrophobicContact CD1-CB 4.19Å; F83-V819 HydrophobicContact CD1-CG2 3.41Å; F83-V819 VanDerWaalsContact CD1-CG2 3.41Å; F83-V819 HydrophobicContact CE1-CB 4.16Å; F83-V819 HydrophobicContact CE1-CG2 3.71Å; F83-V819 HydrophobicContact CG-CG2 3.93Å; F83-V819 HydrophobicContact CZ-CG2 4.43Å; F83-A820 HydrophobicContact CE2-CB 4.31Å; F83-A820 HydrophobicContact CZ-CB 4.01Å
84	N	87.1	Confident	84.4	Confident	65 Å²	65	53.4 Å²	53.4	35%	0.348	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-26.6	172.1	-70.6	-13.7	0	0	0	113	Q80 R81 I82	Q80-N84 PolarHBondContact NE2-OD1 2.95Å; Q80-N84 WeakPolarHBondContact O-CB 3.45Å; Q80-N84 PolarHBondContact O-N 3.43Å; Q80-N84 PolarHBondContact O-ND2 3.4Å; Q80-N84 PolarHBondContact O-OD1 3.47Å; R81-N84 PolarHBondContact O-N 2.88Å; I82-N84 VanDerWaalsContact C-N 3.25Å; I82-N84 PolarHBondContact O-N 3.1Å
85	S	85.4	Confident	83.7	Confident	90 Å²	90	53.7 Å²	53.7	63%	0.629	28%	0.282	S	S	*	.	H	α-helix	trans	-85.5	-13.2	179	75.7	0	0	0	0	114	R81 I82 F83	R81-S85 PolarHBondContact O-N 3.5Å; I82-S85 WeakPolarHBondContact O-CA 3.46Å; I82-S85 WeakPolarHBondContact O-CB 3.47Å; I82-S85 PolarHBondContact O-N 2.86Å; I82-S85 PolarHBondContact O-OG 3.34Å; F83-S85 PolarHBondContact O-N 3.03Å
86	L	85.3	Confident	83.4	Confident	21 Å²	21	57.9 Å²	57.9	11%	0.11	30%	0.301	C	S	.	.	S	Bend	trans	-79.1	154.9	-177.8	-57.2	-179.6	0	0	0	111.8	I82 F83 Y88 L630 L633 A721	I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 2.92Å; F83-L86 HydrophobicContact CD1-CD1 3.97Å; F83-L86 HydrophobicContact CE1-CD1 4.37Å; F83-L86 HydrophobicContact CG-CD1 4.35Å; F83-L86 PolarHBondContact O-N 2.8Å; L86-Y88 HydrophobicContact CB-CE2 4.25Å; L86-Y88 WeakPolarHBondContact O-CD2 3.48Å; L86-Y88 VanDerWaalsContact O-CE2 3.28Å; L86-Y88 WeakPolarHBondContact O-CE2 3.47Å; L86-L630 HydrophobicContact CB-CD2 3.66Å; L86-L630 HydrophobicContact CD1-CD1 4.44Å; L86-L630 HydrophobicContact CD1-CD2 3.65Å; L86-L630 HydrophobicContact CG-CD2 4.29Å; L86-L633 HydrophobicContact CD1-CD1 4.34Å; L86-L633 HydrophobicContact CD2-CD1 4.35Å; L86-L633 HydrophobicContact CD2-CD2 3.82Å; L86-A721 HydrophobicContact CD1-CB 3.76Å
87	V	84.3	Confident	83.2	Confident	92 Å²	92	59.7 Å²	59.7	56%	0.558	31%	0.314	S	S	*	.			trans	-92.5	129.5	179.8	-177.4	0	0	0	0	110.4	K631	V87-K631 HydrophobicContact CG1-CB 4.43Å; V87-K631 PolarHBondContact O-N 2.94Å
88	Y	82.7	Confident	83	Confident	42 Å²	42	56.7 Å²	56.7	17%	0.165	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.1	178.4	-58.7	-91.9	0	0	0	112	F83 L86 K628 Q629 L630 V819	F83-Y88 WeakPolarHBondContact CD1-OH 3.38Å; F83-Y88 WeakPolarHBondContact O-CE2 3.26Å; F83-Y88 PolarHBondContact O-OH 2.97Å; L86-Y88 HydrophobicContact CB-CE2 4.25Å; L86-Y88 WeakPolarHBondContact O-CD2 3.48Å; L86-Y88 VanDerWaalsContact O-CE2 3.28Å; L86-Y88 WeakPolarHBondContact O-CE2 3.47Å; Y88-K628 HydrophobicContact CD1-CB 3.78Å; Y88-K628 HydrophobicContact CG-CB 4.05Å; Y88-Q629 CarbonylContact C-O 3.59Å; Y88-Q629 VanDerWaalsContact CA-O 3.28Å; Y88-Q629 WeakPolarHBondContact CA-O 3.47Å; Y88-L630 HydrophobicContact CD1-CD2 3.88Å; Y88-L630 HydrophobicContact CD1-CG 4.3Å; Y88-L630 HydrophobicContact CE1-CD2 3.39Å; Y88-L630 HydrophobicContact CE1-CG 3.93Å; Y88-V819 HydrophobicContact CE1-CG1 4.04Å
89	T	81	Confident	83.2	Confident	52 Å²	52	54.8 Å²	54.8	32%	0.319	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134	162.7	45.8	0	0	0	0	109.3	Q629 K631	T89-Q629 PolarHBondContact N-O 3.07Å; T89-Q629 PolarHBondContact O-N 2.91Å; T89-Q629 PolarHBondContact OG1-O 3.16Å; T89-K631 HydrophobicContact CG2-CB 3.95Å; T89-K631 HydrophobicContact CG2-CD 3.62Å; T89-K631 HydrophobicContact CG2-CG 3.89Å
90	E	75.4	Confident	83.3	Confident	128 Å²	128	58.6 Å²	58.6	60%	0.598	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.4	174.6	-68.4	-178.7	173.1	0	0	109.5	P626 K628	E90-P626 HydrophobicContact CB-CB 4.15Å; E90-P626 HydrophobicContact CG-CB 4.32Å; E90-K628 HydrophobicContact CG-CG 4.03Å; E90-K628 VanDerWaalsContact OE1-CE 3.31Å; E90-K628 WeakPolarHBondContact OE1-CE 3.5Å
91	K	73.7	Confident	83.4	Confident	73 Å²	73	63.7 Å²	63.7	32%	0.317	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.8	167.7	-174.5	-168.6	170.7	-151	0	107.5	E98 D515 V627	K91-E98 IonicContact NZ-OE1 3.68Å; K91-E98 PolarHBondContact NZ-OE1 2.61Å; K91-D515 IonicContact NZ-OD1 2.7Å; K91-D515 PolarHBondContact NZ-OD1 3.4Å; K91-D515 IonicContact NZ-OD2 2.79Å; K91-V627 PolarHBondContact N-O 3.03Å; K91-V627 PolarHBondContact O-N 2.88Å
92	I	69.3	Low	83.6	Confident	126 Å²	126	57.4 Å²	57.4	65%	0.646	30%	0.302	S	S	*	.			trans	-86.1	116.9	168.4	-58.3	172.8	0	0	0	106.5	P626	I92-P626 HydrophobicContact CG1-CB 4.48Å
93	S	67.9	Low	83.9	Confident	10 Å²	10	56.1 Å²	56.1	7%	0.07	30%	0.296	C	S	.	.			trans	-85.6	111.7	179.5	175	0	0	0	0	109.1	E98 D515 E624	S93-E98 PolarHBondContact OG-OE1 2.94Å; S93-E98 VanDerWaalsContact OG-OE1 3.11Å; S93-E98 PolarHBondContact OG-OE2 3.37Å; S93-D515 WeakPolarHBondContact CB-OD2 3.33Å; S93-D515 PolarHBondContact OG-OD2 2.89Å; S93-E624 VanDerWaalsContact O-CD 3.24Å
94	N	78.1	Confident	84.2	Confident	74 Å²	74	61.3 Å²	61.3	40%	0.396	32%	0.318	S	S	.	.			trans	-99.6	108.7	170.8	176.3	-10.9	0	0	0	108.9	E96 S97 E98	N94-E96 PolarHBondContact O-N 3.21Å; N94-E96 VanDerWaalsContact O-N 3.1Å; N94-E96 WeakPolarHBondContact OD1-CB 3.29Å; N94-E96 PolarHBondContact OD1-N 3.19Å; N94-S97 PolarHBondContact O-N 2.84Å; N94-S97 PolarHBondContact O-OG 3.48Å; N94-E98 WeakPolarHBondContact O-CG 3.07Å; N94-E98 PolarHBondContact O-N 3.48Å; N94-E98 VanDerWaalsContact O-N 3.08Å
95	G	78.5	Confident	84.5	Confident	5 Å²	5	62.9 Å²	62.9	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-53.4	-32.2	-177.4	0	0	0	0	0	114.5	V99	G95-V99 WeakPolarHBondContact O-CB 3.34Å; G95-V99 WeakPolarHBondContact O-CG1 3.33Å; G95-V99 PolarHBondContact O-N 3.3Å
96	E	85.1	Confident	84.9	Confident	90 Å²	90	58.8 Å²	58.8	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-69.4	-41.6	177.3	-66.7	-174.1	178.2	0	0	112.6	N94 E98 V99 Q100 S574 A605	N94-E96 PolarHBondContact O-N 3.21Å; N94-E96 VanDerWaalsContact O-N 3.1Å; N94-E96 WeakPolarHBondContact OD1-CB 3.29Å; N94-E96 PolarHBondContact OD1-N 3.19Å; E96-E98 VanDerWaalsContact C-N 3.35Å; E96-V99 WeakPolarHBondContact O-CG1 3.41Å; E96-Q100 VanDerWaalsContact O-CG 3.27Å; E96-Q100 WeakPolarHBondContact O-CG 3.44Å; E96-Q100 PolarHBondContact O-N 3.49Å; E96-S574 WeakPolarHBondContact OE1-CB 3.28Å; E96-S574 PolarHBondContact OE1-OG 3.49Å; E96-A605 HydrophobicContact CG-CB 4.27Å
97	S	87.5	Confident	85.3	Confident	49 Å²	49	60.8 Å²	60.8	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-70.7	-36.3	178.2	70.5	0	0	0	0	111.3	N94 Q100 Q101	N94-S97 PolarHBondContact O-N 2.84Å; N94-S97 PolarHBondContact O-OG 3.48Å; S97-Q100 PolarHBondContact O-N 2.87Å; S97-Q101 WeakPolarHBondContact O-CG 2.79Å; S97-Q101 PolarHBondContact O-N 3.41Å; S97-Q101 VanDerWaalsContact O-N 3.15Å
98	E	88.5	Confident	85.7	Confident	15 Å²	15	60.6 Å²	60.6	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-72.7	-42.2	-178.6	-67.9	-170.4	160.6	0	0	111.9	K91 S93 N94 E96 Q100 Q101 L102 Y513 I618	K91-E98 IonicContact NZ-OE1 3.68Å; K91-E98 PolarHBondContact NZ-OE1 2.61Å; S93-E98 PolarHBondContact OG-OE1 2.94Å; S93-E98 VanDerWaalsContact OG-OE1 3.11Å; S93-E98 PolarHBondContact OG-OE2 3.37Å; N94-E98 WeakPolarHBondContact O-CG 3.07Å; N94-E98 PolarHBondContact O-N 3.48Å; N94-E98 VanDerWaalsContact O-N 3.08Å; E96-E98 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 2.9Å; E98-Q101 PolarHBondContact O-N 3.42Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; E98-L102 WeakPolarHBondContact O-CB 3.41Å; E98-L102 PolarHBondContact O-N 3.37Å; E98-Y513 PolarHBondContact OE2-OH 3.4Å; E98-I618 HydrophobicContact CB-CD1 3.78Å
99	V	92.8	Very high	86	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-34.3	177.3	74.4	0	0	0	0	110.5	G95 E96 A103 A605 K607 L616 I618	G95-V99 WeakPolarHBondContact O-CB 3.34Å; G95-V99 WeakPolarHBondContact O-CG1 3.33Å; G95-V99 PolarHBondContact O-N 3.3Å; E96-V99 WeakPolarHBondContact O-CG1 3.41Å; V99-A103 WeakPolarHBondContact O-CB 3.44Å; V99-A103 PolarHBondContact O-N 2.84Å; V99-A605 HydrophobicContact CG1-CB 4.03Å; V99-K607 HydrophobicContact CG1-CB 4.44Å; V99-K607 HydrophobicContact CG2-CB 4.11Å; V99-L616 HydrophobicContact CG2-CB 4.38Å; V99-L616 HydrophobicContact CG2-CD2 3.84Å; V99-L616 HydrophobicContact CG2-CG 3.99Å; V99-I618 HydrophobicContact CB-CB 4.46Å; V99-I618 HydrophobicContact CB-CD1 3.87Å; V99-I618 HydrophobicContact CB-CG1 3.99Å; V99-I618 HydrophobicContact CG2-CD1 4.45Å; V99-I618 HydrophobicContact CG2-CG1 4.15Å
100	Q	93.3	Very high	86.6	Confident	83 Å²	83	56.9 Å²	56.9	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-67.8	-41.5	175.7	-70.7	-178.9	26.6	0	0	113.1	E96 S97 E98 K104 L572 K607	E96-Q100 VanDerWaalsContact O-CG 3.27Å; E96-Q100 WeakPolarHBondContact O-CG 3.44Å; E96-Q100 PolarHBondContact O-N 3.49Å; S97-Q100 PolarHBondContact O-N 2.87Å; E98-Q100 PolarHBondContact O-N 2.9Å; Q100-K104 WeakPolarHBondContact O-CB 3.42Å; Q100-K104 PolarHBondContact O-N 2.85Å; Q100-K104 VanDerWaalsContact O-N 3.15Å; Q100-L572 HydrophobicContact CG-CD1 4.37Å; Q100-K607 HydrophobicContact CB-CD 4.36Å; Q100-K607 HydrophobicContact CG-CD 3.94Å
101	Q	92.1	Very high	87.4	Confident	137 Å²	137	52.7 Å²	52.7	64%	0.64	25%	0.254	S	S	*	.	H	α-helix	trans	-69.2	-45.6	177.6	-71.2	177.7	12.5	0	0	111.5	S97 E98 K104 K105	S97-Q101 WeakPolarHBondContact O-CG 2.79Å; S97-Q101 PolarHBondContact O-N 3.41Å; S97-Q101 VanDerWaalsContact O-N 3.15Å; E98-Q101 PolarHBondContact O-N 3.42Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; Q101-K104 WeakPolarHBondContact O-CB 3.35Å; Q101-K104 PolarHBondContact O-N 2.89Å; Q101-K105 PolarHBondContact O-N 2.97Å
102	L	92.8	Very high	88.3	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-43.3	179.6	-175.5	57.9	0	0	0	111.3	E98 K104 K105 I106 D509 Y513 L616 I618	E98-L102 WeakPolarHBondContact O-CB 3.41Å; E98-L102 PolarHBondContact O-N 3.37Å; L102-K104 VanDerWaalsContact C-N 3.26Å; L102-K104 PolarHBondContact O-N 2.88Å; L102-K105 WeakPolarHBondContact O-CB 3.36Å; L102-K105 PolarHBondContact O-N 2.61Å; L102-K105 VanDerWaalsContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 4.37Å; L102-I106 HydrophobicContact CD1-CG1 4.48Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 3.21Å; L102-D509 HydrophobicContact CD1-CB 4.02Å; L102-Y513 HydrophobicContact CD2-CD2 3.7Å; L102-Y513 HydrophobicContact CD2-CE2 3.88Å; L102-L616 HydrophobicContact CB-CD2 3.74Å; L102-L616 HydrophobicContact CD2-CD1 4.19Å; L102-L616 HydrophobicContact CD2-CD2 3.86Å; L102-L616 HydrophobicContact CG-CD2 3.63Å; L102-I618 HydrophobicContact CD2-CD1 4.38Å
103	A	94.3	Very high	89.5	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-35.4	174	0	0	0	0	0	112.2	V99 R107 K607 V609 L616	V99-A103 WeakPolarHBondContact O-CB 3.44Å; V99-A103 PolarHBondContact O-N 2.84Å; A103-R107 VanDerWaalsContact O-CB 3.25Å; A103-R107 WeakPolarHBondContact O-CB 3.17Å; A103-R107 PolarHBondContact O-N 3Å; A103-K607 HydrophobicContact CB-CB 4.29Å; A103-K607 HydrophobicContact CB-CD 3.86Å; A103-K607 HydrophobicContact CB-CG 4.14Å; A103-V609 HydrophobicContact CB-CG2 4.37Å; A103-L616 HydrophobicContact CB-CD2 3.98Å
104	K	94.2	Very high	90.7	Very high	111 Å²	111	50.1 Å²	50.1	48%	0.483	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-44.1	174.3	-177.7	-175.7	172.8	-171.8	0	111.3	Q100 Q101 L102 R107 E108	Q100-K104 WeakPolarHBondContact O-CB 3.42Å; Q100-K104 PolarHBondContact O-N 2.85Å; Q100-K104 VanDerWaalsContact O-N 3.15Å; Q101-K104 WeakPolarHBondContact O-CB 3.35Å; Q101-K104 PolarHBondContact O-N 2.89Å; L102-K104 VanDerWaalsContact C-N 3.26Å; L102-K104 PolarHBondContact O-N 2.88Å; K104-R107 WeakPolarHBondContact O-CB 3.04Å; K104-R107 PolarHBondContact O-N 3.08Å; K104-E108 WeakPolarHBondContact CE-OE1 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.01Å; K104-E108 PolarHBondContact O-N 3.42Å
105	K	92.4	Very high	91.5	Very high	99 Å²	99	51.5 Å²	51.5	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-45.2	176.9	-171.1	-176.5	-176.9	-171.2	0	111.6	Q101 L102 E108 K109 D509	Q101-K105 PolarHBondContact O-N 2.97Å; L102-K105 WeakPolarHBondContact O-CB 3.36Å; L102-K105 PolarHBondContact O-N 2.61Å; L102-K105 VanDerWaalsContact O-N 3.13Å; K105-E108 PolarHBondContact O-N 2.96Å; K105-K109 PolarHBondContact O-N 2.93Å; K105-K109 VanDerWaalsContact O-N 3.16Å; K105-D509 WeakPolarHBondContact CE-OD1 3.25Å; K105-D509 IonicContact NZ-OD1 3.52Å; K105-D509 PolarHBondContact NZ-OD1 3.11Å
106	I	93.1	Very high	92.3	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-43.8	177.4	-67.8	173.9	0	0	0	110.7	L102 E108 K109 F110 D509 V510 V609 L616	L102-I106 HydrophobicContact CD1-CD1 4.37Å; L102-I106 HydrophobicContact CD1-CG1 4.48Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 3.21Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.09Å; I106-K109 WeakPolarHBondContact O-CB 3.39Å; I106-K109 PolarHBondContact O-N 3.04Å; I106-K109 VanDerWaalsContact O-N 3.09Å; I106-F110 HydrophobicContact CG2-CD2 3.59Å; I106-F110 HydrophobicContact CG2-CE2 3.43Å; I106-F110 VanDerWaalsContact CG2-CE2 3.43Å; I106-F110 WeakPolarHBondContact O-CD2 3.15Å; I106-F110 PolarHBondContact O-N 3.18Å; I106-D509 HydrophobicContact CG1-CB 4.5Å; I106-V510 HydrophobicContact CD1-CG2 3.67Å; I106-V609 HydrophobicContact CG2-CG1 4.21Å; I106-V609 HydrophobicContact CG2-CG2 4.23Å; I106-L616 HydrophobicContact CD1-CD1 3.89Å; I106-L616 HydrophobicContact CD1-CD2 4.14Å
107	R	93.9	Very high	92.8	Very high	63 Å²	63	47.2 Å²	47.2	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-56.5	-46.5	173.7	-178.7	-170.3	67.2	159.7	9.4	111.9	A103 K104 K109 F110 N111 V609	A103-R107 VanDerWaalsContact O-CB 3.25Å; A103-R107 WeakPolarHBondContact O-CB 3.17Å; A103-R107 PolarHBondContact O-N 3Å; K104-R107 WeakPolarHBondContact O-CB 3.04Å; K104-R107 PolarHBondContact O-N 3.08Å; R107-K109 PolarHBondContact O-N 3.11Å; R107-F110 PolarHBondContact O-N 2.03Å; R107-N111 WeakPolarHBondContact O-CB 3.23Å; R107-N111 VanDerWaalsContact O-CG 3.3Å; R107-N111 PolarHBondContact O-N 2.81Å; R107-N111 PolarHBondContact O-OD1 3.08Å; R107-V609 HydrophobicContact CB-CG1 3.87Å
108	E	92.3	Very high	93.2	Very high	88 Å²	88	46.8 Å²	46.8	41%	0.411	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-33.8	177.7	-74.3	168.8	-170.7	0	0	112.1	K104 K105 I106 R112	K104-E108 WeakPolarHBondContact CE-OE1 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.01Å; K104-E108 PolarHBondContact O-N 3.42Å; K105-E108 PolarHBondContact O-N 2.96Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.09Å; E108-R112 WeakPolarHBondContact O-CG 3.46Å; E108-R112 PolarHBondContact O-N 3.07Å
109	K	90.6	Very high	93.6	Very high	14 Å²	14	50.8 Å²	50.8	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-46.2	174	-174.3	176.1	-85.9	167.6	0	111.8	K105 I106 R107 R112 Y113 Y505 I506 E508 D509	K105-K109 PolarHBondContact O-N 2.93Å; K105-K109 VanDerWaalsContact O-N 3.16Å; I106-K109 WeakPolarHBondContact O-CB 3.39Å; I106-K109 PolarHBondContact O-N 3.04Å; I106-K109 VanDerWaalsContact O-N 3.09Å; R107-K109 PolarHBondContact O-N 3.11Å; K109-R112 PolarHBondContact O-N 3.47Å; K109-Y113 HydrophobicContact CG-CE2 4.13Å; K109-Y113 WeakPolarHBondContact O-CD2 3.26Å; K109-Y113 WeakPolarHBondContact O-CE2 3.08Å; K109-Y505 HydrophobicContact CD-CD1 3.84Å; K109-Y505 HydrophobicContact CD-CE1 3.53Å; K109-Y505 WeakPolarHBondContact CE-O 3.37Å; K109-Y505 HydrophobicContact CG-CD1 4.31Å; K109-Y505 HydrophobicContact CG-CE1 3.67Å; K109-Y505 PolarHBondContact NZ-O 2.76Å; K109-I506 HydrophobicContact CD-CD1 4.14Å; K109-I506 HydrophobicContact CG-CD1 4.18Å; K109-E508 IonicContact NZ-OE1 2.65Å; K109-E508 PolarHBondContact NZ-OE1 3.29Å; K109-D509 IonicContact NZ-OD2 2.82Å; K109-D509 PolarHBondContact NZ-OD2 3.31Å
110	F	91.9	Very high	93.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-39.7	176.9	-79.9	-67.6	0	0	0	113	I106 R107 R112 Y113 L114 F467 M481 I506 V609 T612 F614	I106-F110 HydrophobicContact CG2-CD2 3.59Å; I106-F110 HydrophobicContact CG2-CE2 3.43Å; I106-F110 VanDerWaalsContact CG2-CE2 3.43Å; I106-F110 WeakPolarHBondContact O-CD2 3.15Å; I106-F110 PolarHBondContact O-N 3.18Å; R107-F110 PolarHBondContact O-N 2.03Å; F110-R112 PolarHBondContact O-N 3.2Å; F110-Y113 PolarHBondContact O-N 3.47Å; F110-L114 PolarHBondContact O-N 2.85Å; F110-F467 HydrophobicContact CD1-CD1 4.11Å; F110-F467 AromaticContact CD1-CE1 3.61Å; F110-F467 HydrophobicContact CD1-CE1 3.61Å; F110-F467 HydrophobicContact CD1-CZ 4.43Å; F110-F467 HydrophobicContact CE1-CD1 4.12Å; F110-F467 HydrophobicContact CE1-CE1 4.09Å; F110-F467 HydrophobicContact CG-CE1 4.45Å; F110-M481 HydrophobicContact CE1-SD 4.11Å; F110-I506 HydrophobicContact CD1-CD1 4.43Å; F110-I506 HydrophobicContact CE1-CD1 4.17Å; F110-I506 HydrophobicContact CE1-CG2 3.93Å; F110-I506 HydrophobicContact CE2-CG2 4.24Å; F110-I506 HydrophobicContact CZ-CG2 3.49Å; F110-I506 VanDerWaalsContact CZ-CG2 3.49Å; F110-V609 HydrophobicContact CD2-CG1 4.4Å; F110-T612 HydrophobicContact CB-CG2 3.85Å; F110-T612 HydrophobicContact CD1-CG2 4.49Å; F110-T612 HydrophobicContact CD2-CG2 4.09Å; F110-T612 HydrophobicContact CG-CG2 3.91Å; F110-F614 HydrophobicContact CE1-CD2 4.04Å; F110-F614 AromaticContact CE1-CE2 3.64Å; F110-F614 HydrophobicContact CE1-CE2 3.64Å; F110-F614 AromaticContact CE2-CD2 3.81Å; F110-F614 HydrophobicContact CE2-CD2 3.81Å; F110-F614 HydrophobicContact CE2-CE2 4.25Å; F110-F614 AromaticContact CZ-CD2 3.49Å; F110-F614 HydrophobicContact CZ-CD2 3.49Å; F110-F614 VanDerWaalsContact CZ-CD2 3.49Å; F110-F614 AromaticContact CZ-CE2 3.47Å; F110-F614 HydrophobicContact CZ-CE2 3.47Å; F110-F614 VanDerWaalsContact CZ-CE2 3.47Å
111	N	92.7	Very high	93.8	Very high	40 Å²	40	47.4 Å²	47.4	21%	0.214	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-32.6	180	-76	5.3	0	0	0	112.3	R107 Y113 L114 D115	R107-N111 WeakPolarHBondContact O-CB 3.23Å; R107-N111 VanDerWaalsContact O-CG 3.3Å; R107-N111 PolarHBondContact O-N 2.81Å; R107-N111 PolarHBondContact O-OD1 3.08Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 2.97Å; N111-L114 PolarHBondContact O-N 2.85Å; N111-D115 WeakPolarHBondContact O-CB 3.39Å; N111-D115 PolarHBondContact O-N 2.88Å
112	R	92.9	Very high	93.9	Very high	126 Å²	126	47 Å²	47	48%	0.475	21%	0.212	S	C	.	.	H	α-helix	trans	-58	-41.8	172.9	-69.8	173.2	-173.1	-178.5	0.3	112.2	E108 K109 F110 V116	E108-R112 WeakPolarHBondContact O-CG 3.46Å; E108-R112 PolarHBondContact O-N 3.07Å; K109-R112 PolarHBondContact O-N 3.47Å; F110-R112 PolarHBondContact O-N 3.2Å; R112-V116 VanDerWaalsContact O-CG2 3.28Å; R112-V116 WeakPolarHBondContact O-CG2 3.38Å; R112-V116 PolarHBondContact O-N 3.5Å; R112-V116 VanDerWaalsContact O-N 3.14Å
113	Y	93.9	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-77.2	-35.1	179.8	-60.8	-65.8	0	0	0	112.1	K109 F110 N111 D115 V116 V117 N195 G197 I198 V499 V501 Y505 I506	K109-Y113 HydrophobicContact CG-CE2 4.13Å; K109-Y113 WeakPolarHBondContact O-CD2 3.26Å; K109-Y113 WeakPolarHBondContact O-CE2 3.08Å; F110-Y113 PolarHBondContact O-N 3.47Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 2.97Å; Y113-D115 VanDerWaalsContact C-N 3.3Å; Y113-D115 PolarHBondContact O-N 2.8Å; Y113-V116 PolarHBondContact O-N 3.38Å; Y113-V117 WeakPolarHBondContact O-CG2 3.12Å; Y113-V117 PolarHBondContact O-N 2.97Å; Y113-N195 HydrophobicContact CE1-CB 4.37Å; Y113-G197 VanDerWaalsContact OH-CA 3.31Å; Y113-G197 WeakPolarHBondContact OH-CA 3.32Å; Y113-I198 HydrophobicContact CD1-CG1 4.08Å; Y113-I198 HydrophobicContact CE1-CG1 3.67Å; Y113-V499 HydrophobicContact CD1-CG1 4.39Å; Y113-V501 HydrophobicContact CD1-CG1 4.42Å; Y113-V501 HydrophobicContact CD1-CG2 3.52Å; Y113-V501 HydrophobicContact CD2-CG1 4.32Å; Y113-V501 HydrophobicContact CD2-CG2 4.11Å; Y113-V501 HydrophobicContact CE1-CB 4.42Å; Y113-V501 HydrophobicContact CE1-CG1 3.81Å; Y113-V501 HydrophobicContact CE1-CG2 3.68Å; Y113-V501 HydrophobicContact CE2-CG1 3.7Å; Y113-V501 HydrophobicContact CE2-CG2 4.27Å; Y113-V501 HydrophobicContact CG-CG2 3.74Å; Y113-V501 VanDerWaalsContact CZ-CG1 3.41Å; Y113-Y505 HydrophobicContact CE2-CD1 4.21Å; Y113-Y505 AromaticContact CE2-CE1 3.97Å; Y113-Y505 HydrophobicContact CE2-CE1 3.97Å; Y113-Y505 AromaticContact CZ-CE1 3.82Å; Y113-Y505 WeakPolarHBondContact OH-CD1 3.47Å; Y113-Y505 WeakPolarHBondContact OH-CE1 3.07Å; Y113-I506 HydrophobicContact CD2-CD1 3.96Å; Y113-I506 HydrophobicContact CE2-CD1 3.58Å
114	L	94.4	Very high	94	Very high	29 Å²	29	47.7 Å²	47.7	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-41.7	171.3	-173.5	60.1	0	0	0	111.3	F110 N111 V117 N118 A465 D611	F110-L114 PolarHBondContact O-N 2.85Å; N111-L114 PolarHBondContact O-N 2.85Å; L114-V117 PolarHBondContact O-N 3.42Å; L114-N118 WeakPolarHBondContact O-CB 3.29Å; L114-N118 VanDerWaalsContact O-CG 3.26Å; L114-N118 PolarHBondContact O-N 3.45Å; L114-N118 PolarHBondContact O-ND2 2.94Å; L114-N118 VanDerWaalsContact O-ND2 3.08Å; L114-A465 HydrophobicContact CD1-CB 3.44Å; L114-A465 VanDerWaalsContact CD1-CB 3.44Å; L114-D611 HydrophobicContact CD2-CB 4.46Å
115	D	94.6	Very high	93.9	Very high	104 Å²	104	44.6 Å²	44.6	56%	0.556	20%	0.204	S	C	*	.	H	α-helix	trans	-62.8	-42	175.2	-71.2	-20.6	0	0	0	111.8	N111 Y113 N118 R119	N111-D115 WeakPolarHBondContact O-CB 3.39Å; N111-D115 PolarHBondContact O-N 2.88Å; Y113-D115 VanDerWaalsContact C-N 3.3Å; Y113-D115 PolarHBondContact O-N 2.8Å; D115-N118 PolarHBondContact O-N 3.13Å; D115-R119 WeakPolarHBondContact O-CB 3.5Å; D115-R119 PolarHBondContact O-N 2.7Å
116	V	95.8	Very high	93.9	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-49	175	171	0	0	0	0	110.9	R112 Y113 N118 R119 N120 N191 N195 I198 V499	R112-V116 VanDerWaalsContact O-CG2 3.28Å; R112-V116 WeakPolarHBondContact O-CG2 3.38Å; R112-V116 PolarHBondContact O-N 3.5Å; R112-V116 VanDerWaalsContact O-N 3.14Å; Y113-V116 PolarHBondContact O-N 3.38Å; V116-N118 PolarHBondContact O-N 2.99Å; V116-R119 PolarHBondContact O-N 2.61Å; V116-N120 WeakPolarHBondContact O-CB 3.46Å; V116-N120 VanDerWaalsContact O-CG 3.27Å; V116-N120 PolarHBondContact O-N 3.47Å; V116-N191 HydrophobicContact CG1-CB 3.97Å; V116-N191 HydrophobicContact CG2-CB 4.28Å; V116-N195 WeakPolarHBondContact CG2-ND2 3.48Å; V116-I198 HydrophobicContact CG1-CD1 4.08Å; V116-I198 HydrophobicContact CG2-CD1 4.22Å; V116-V499 HydrophobicContact CG1-CG1 4.49Å; V116-V499 HydrophobicContact CG1-CG2 3.64Å
117	V	95.9	Very high	93.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-43.3	178.8	174	0	0	0	0	110.9	Y113 L114 N120 K121 V483 K485 V497 V499	Y113-V117 WeakPolarHBondContact O-CG2 3.12Å; Y113-V117 PolarHBondContact O-N 2.97Å; L114-V117 PolarHBondContact O-N 3.42Å; V117-N120 PolarHBondContact O-N 2.86Å; V117-K121 WeakPolarHBondContact O-CB 3.42Å; V117-K121 PolarHBondContact O-N 2.95Å; V117-V483 HydrophobicContact CG2-CB 4.1Å; V117-V483 HydrophobicContact CG2-CG1 4.02Å; V117-V483 WeakPolarHBondContact CG2-O 3.28Å; V117-K485 HydrophobicContact CG1-CB 3.45Å; V117-K485 VanDerWaalsContact CG1-CB 3.45Å; V117-V497 HydrophobicContact CG1-CG2 3.87Å; V117-V499 HydrophobicContact CG2-CB 3.99Å; V117-V499 HydrophobicContact CG2-CG2 3.53Å
118	N	95.7	Very high	93.8	Very high	39 Å²	39	42.1 Å²	42.1	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-41.5	176.7	-76.2	-38.8	0	0	0	112.2	L114 D115 V116 K121 Q122 K485	L114-N118 WeakPolarHBondContact O-CB 3.29Å; L114-N118 VanDerWaalsContact O-CG 3.26Å; L114-N118 PolarHBondContact O-N 3.45Å; L114-N118 PolarHBondContact O-ND2 2.94Å; L114-N118 VanDerWaalsContact O-ND2 3.08Å; D115-N118 PolarHBondContact O-N 3.13Å; V116-N118 PolarHBondContact O-N 2.99Å; N118-K121 PolarHBondContact O-N 2.75Å; N118-Q122 VanDerWaalsContact O-CG 3.3Å; N118-Q122 WeakPolarHBondContact O-CG 3.25Å; N118-Q122 PolarHBondContact O-N 2.75Å; N118-K485 WeakPolarHBondContact OD1-CD 3.34Å; N118-K485 PolarHBondContact OD1-NZ 2.91Å
119	R	95.1	Very high	93.7	Very high	99 Å²	99	41.5 Å²	41.5	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-45.2	176.1	-171.9	179.6	-178	-163.6	-0.5	111.2	D115 V116 Q122 V123 V187 D190 N191	D115-R119 WeakPolarHBondContact O-CB 3.5Å; D115-R119 PolarHBondContact O-N 2.7Å; V116-R119 PolarHBondContact O-N 2.61Å; R119-Q122 PolarHBondContact O-N 3.37Å; R119-V123 VanDerWaalsContact O-CG2 3.29Å; R119-V123 WeakPolarHBondContact O-CG2 3.36Å; R119-V123 PolarHBondContact O-N 3.16Å; R119-V187 HydrophobicContact CG-CG1 3.98Å; R119-D190 IonicContact NH2-OD2 2.88Å; R119-N191 PolarHBondContact NH1-OD1 2.91Å; R119-N191 VanDerWaalsContact NH1-OD1 3.16Å
120	N	95.5	Very high	93.5	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-46.1	176.7	-70.3	-8.4	0	0	0	111.1	V116 V117 Q122 V123 V124 L188 N191 Q201 V497	V116-N120 WeakPolarHBondContact O-CB 3.46Å; V116-N120 VanDerWaalsContact O-CG 3.27Å; V116-N120 PolarHBondContact O-N 3.47Å; V117-N120 PolarHBondContact O-N 2.86Å; N120-Q122 PolarHBondContact O-N 2.8Å; N120-V123 PolarHBondContact O-N 3.24Å; N120-V124 WeakPolarHBondContact O-CG2 3.47Å; N120-V124 PolarHBondContact O-N 3.06Å; N120-L188 WeakPolarHBondContact ND2-CD2 2.88Å; N120-N191 PolarHBondContact OD1-ND2 2.83Å; N120-Q201 PolarHBondContact ND2-OE1 3Å; N120-V497 HydrophobicContact CB-CB 4.27Å; N120-V497 HydrophobicContact CB-CG1 4.15Å
121	K	95.1	Very high	93.4	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-54.7	-52.1	175.4	171.1	174.4	175.2	150.1	0	112	V117 N118 V123 V124 E125 D463 K485 P486 V497	V117-K121 WeakPolarHBondContact O-CB 3.42Å; V117-K121 PolarHBondContact O-N 2.95Å; N118-K121 PolarHBondContact O-N 2.75Å; K121-V123 VanDerWaalsContact C-N 3.26Å; K121-V123 PolarHBondContact O-N 3.02Å; K121-V124 PolarHBondContact O-N 3.49Å; K121-V124 VanDerWaalsContact O-N 3.17Å; K121-E125 VanDerWaalsContact CE-CD 3.48Å; K121-E125 WeakPolarHBondContact CE-OE1 3.36Å; K121-E125 WeakPolarHBondContact CE-OE2 3.39Å; K121-E125 HydrophobicContact CG-CG 4.42Å; K121-E125 IonicContact NZ-OE1 3.85Å; K121-E125 WeakPolarHBondContact O-CG 3.49Å; K121-E125 PolarHBondContact O-N 2.92Å; K121-D463 IonicContact NZ-OD1 3.99Å; K121-D463 PolarHBondContact NZ-OD1 3.32Å; K121-D463 IonicContact NZ-OD2 3.99Å; K121-D463 PolarHBondContact NZ-OD2 3.42Å; K121-K485 HydrophobicContact CD-CD 3.88Å; K121-K485 HydrophobicContact CD-CG 4.09Å; K121-P486 WeakPolarHBondContact CE-O 3.41Å; K121-P486 PolarHBondContact NZ-O 2.81Å; K121-V497 HydrophobicContact CB-CG2 3.82Å
122	Q	94.1	Very high	93.2	Very high	129 Å²	129	47.1 Å²	47.1	60%	0.603	25%	0.245	S	C	*	.	H	α-helix	trans	-57.6	-40.5	-178.7	-75.8	172.9	-0.7	0	0	112.2	N118 R119 N120 A126	N118-Q122 VanDerWaalsContact O-CG 3.3Å; N118-Q122 WeakPolarHBondContact O-CG 3.25Å; N118-Q122 PolarHBondContact O-N 2.75Å; R119-Q122 PolarHBondContact O-N 3.37Å; N120-Q122 PolarHBondContact O-N 2.8Å; Q122-A126 VanDerWaalsContact O-CB 3.26Å; Q122-A126 WeakPolarHBondContact O-CB 3.28Å; Q122-A126 PolarHBondContact O-N 2.86Å
123	V	94.1	Very high	93	Very high	36 Å²	36	47 Å²	47	22%	0.218	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-43.5	178.8	178.9	0	0	0	0	110.6	R119 N120 K121 E125 A126 S127 L184 V187	R119-V123 VanDerWaalsContact O-CG2 3.29Å; R119-V123 WeakPolarHBondContact O-CG2 3.36Å; R119-V123 PolarHBondContact O-N 3.16Å; N120-V123 PolarHBondContact O-N 3.24Å; K121-V123 VanDerWaalsContact C-N 3.26Å; K121-V123 PolarHBondContact O-N 3.02Å; V123-E125 PolarHBondContact O-N 2.94Å; V123-A126 PolarHBondContact O-N 2.85Å; V123-S127 WeakPolarHBondContact O-CB 3.37Å; V123-S127 PolarHBondContact O-N 3.47Å; V123-S127 PolarHBondContact O-OG 3.49Å; V123-S127 VanDerWaalsContact O-OG 3.12Å; V123-L184 HydrophobicContact CB-CD2 4Å; V123-L184 HydrophobicContact CG1-CD2 3.62Å; V123-V187 HydrophobicContact CG2-CG1 4.36Å; V123-V187 HydrophobicContact CG2-CG2 4.04Å
124	V	95	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-48.3	176.1	170.8	0	0	0	0	111.5	N120 K121 A126 S127 Y128 F178 P180 L184 F203 C487 L494 V497	N120-V124 WeakPolarHBondContact O-CG2 3.47Å; N120-V124 PolarHBondContact O-N 3.06Å; K121-V124 PolarHBondContact O-N 3.49Å; K121-V124 VanDerWaalsContact O-N 3.17Å; V124-A126 PolarHBondContact O-N 3.26Å; V124-S127 PolarHBondContact O-N 2.95Å; V124-Y128 PolarHBondContact O-N 3.25Å; V124-F178 HydrophobicContact CG1-CE1 3.97Å; V124-F178 HydrophobicContact CG1-CZ 4.35Å; V124-P180 HydrophobicContact CG2-CG 4.36Å; V124-L184 HydrophobicContact CG2-CD1 4.02Å; V124-L184 HydrophobicContact CG2-CD2 3.88Å; V124-F203 HydrophobicContact CG1-CD2 3.95Å; V124-F203 HydrophobicContact CG1-CE2 3.57Å; V124-F203 HydrophobicContact CG1-CZ 3.96Å; V124-F203 HydrophobicContact CG2-CD2 4.01Å; V124-F203 HydrophobicContact CG2-CE2 4.48Å; V124-F203 HydrophobicContact CG2-CG 4.26Å; V124-C487 HydrophobicContact CG1-CB 4.15Å; V124-L494 HydrophobicContact CG1-CD1 4.5Å; V124-V497 HydrophobicContact CG2-CG1 3.87Å
125	E	93.5	Very high	92.3	Very high	47 Å²	47	53.4 Å²	53.4	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-38	-179.7	-67.8	-179.7	160	0	0	112	K121 V123 Y128 C487 Y488 L494	K121-E125 VanDerWaalsContact CE-CD 3.48Å; K121-E125 WeakPolarHBondContact CE-OE1 3.36Å; K121-E125 WeakPolarHBondContact CE-OE2 3.39Å; K121-E125 HydrophobicContact CG-CG 4.42Å; K121-E125 IonicContact NZ-OE1 3.85Å; K121-E125 WeakPolarHBondContact O-CG 3.49Å; K121-E125 PolarHBondContact O-N 2.92Å; V123-E125 PolarHBondContact O-N 2.94Å; E125-Y128 PolarHBondContact O-N 2.84Å; E125-C487 HydrophobicContact CG-CB 4.23Å; E125-Y488 WeakPolarHBondContact CG-O 3.07Å; E125-Y488 PolarHBondContact OE1-N 2.98Å; E125-Y488 VanDerWaalsContact OE1-O 3.1Å; E125-L494 HydrophobicContact CG-CD1 4.49Å
126	A	91.7	Very high	91.9	Very high	62 Å²	62	50.2 Å²	50.2	51%	0.512	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-44.4	173.8	0	0	0	0	0	112.1	Q122 V123 V124 Y128 T129 A130	Q122-A126 VanDerWaalsContact O-CB 3.26Å; Q122-A126 WeakPolarHBondContact O-CB 3.28Å; Q122-A126 PolarHBondContact O-N 2.86Å; V123-A126 PolarHBondContact O-N 2.85Å; V124-A126 PolarHBondContact O-N 3.26Å; A126-Y128 PolarHBondContact O-N 3.3Å; A126-T129 WeakPolarHBondContact O-CB 3.34Å; A126-T129 PolarHBondContact O-N 3.14Å; A126-T129 VanDerWaalsContact O-N 3.09Å; A126-A130 PolarHBondContact O-N 2.98Å
127	S	92.9	Very high	91.5	Very high	15 Å²	15	52.2 Å²	52.2	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-32.2	176.8	-71.7	0	0	0	0	112.3	V123 V124 T129 A130 H131 L136	V123-S127 WeakPolarHBondContact O-CB 3.37Å; V123-S127 PolarHBondContact O-N 3.47Å; V123-S127 PolarHBondContact O-OG 3.49Å; V123-S127 VanDerWaalsContact O-OG 3.12Å; V124-S127 PolarHBondContact O-N 2.95Å; S127-T129 VanDerWaalsContact C-N 3.3Å; S127-T129 PolarHBondContact O-N 3.37Å; S127-A130 WeakPolarHBondContact O-CB 3.23Å; S127-A130 PolarHBondContact O-N 3.04Å; S127-H131 PolarHBondContact O-N 3.43Å; S127-L136 WeakPolarHBondContact O-CD1 3.41Å
128	Y	92.8	Very high	91.1	Very high	36 Å²	36	54.5 Å²	54.5	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-36.8	174.8	-167	-100.6	0	0	0	112.3	V124 E125 A126 A130 H131 L132 F178 F489 L492 L494	V124-Y128 PolarHBondContact O-N 3.25Å; E125-Y128 PolarHBondContact O-N 2.84Å; A126-Y128 PolarHBondContact O-N 3.3Å; Y128-A130 VanDerWaalsContact C-N 3.28Å; Y128-A130 PolarHBondContact O-N 3.48Å; Y128-H131 WeakPolarHBondContact O-CB 3.42Å; Y128-H131 PolarHBondContact O-N 2.98Å; Y128-H131 VanDerWaalsContact O-N 3.14Å; Y128-L132 HydrophobicContact CD1-CG 4.46Å; Y128-L132 HydrophobicContact CE1-CD1 4.43Å; Y128-L132 HydrophobicContact CE1-CD2 4.08Å; Y128-L132 HydrophobicContact CE1-CG 4.29Å; Y128-L132 WeakPolarHBondContact O-CG 3.5Å; Y128-L132 PolarHBondContact O-N 3.34Å; Y128-L132 VanDerWaalsContact O-N 3.13Å; Y128-F178 HydrophobicContact CD2-CB 4.15Å; Y128-F178 AromaticContact CD2-CD1 3.69Å; Y128-F178 HydrophobicContact CD2-CD1 3.69Å; Y128-F178 AromaticContact CD2-CD2 3.85Å; Y128-F178 HydrophobicContact CD2-CD2 3.85Å; Y128-F178 AromaticContact CD2-CE1 3.95Å; Y128-F178 HydrophobicContact CD2-CE1 3.95Å; Y128-F178 HydrophobicContact CD2-CE2 4.1Å; Y128-F178 AromaticContact CD2-CG 3.62Å; Y128-F178 HydrophobicContact CD2-CG 3.62Å; Y128-F178 HydrophobicContact CD2-CZ 4.14Å; Y128-F178 HydrophobicContact CE2-CB 4.09Å; Y128-F178 HydrophobicContact CE2-CD1 4.3Å; Y128-F178 HydrophobicContact CE2-CG 4.07Å; Y128-F489 HydrophobicContact CD1-CB 3.7Å; Y128-F489 AromaticContact CD1-CD1 3.85Å; Y128-F489 HydrophobicContact CD1-CD1 3.85Å; Y128-F489 AromaticContact CD1-CD2 3.73Å; Y128-F489 HydrophobicContact CD1-CD2 3.73Å; Y128-F489 HydrophobicContact CD1-CE1 4.41Å; Y128-F489 HydrophobicContact CD1-CE2 4.31Å; Y128-F489 AromaticContact CD1-CG 3.47Å; Y128-F489 HydrophobicContact CD1-CG 3.47Å; Y128-F489 VanDerWaalsContact CD1-CG 3.47Å; Y128-F489 HydrophobicContact CE1-CB 3.96Å; Y128-F489 AromaticContact CE1-CD1 3.68Å; Y128-F489 HydrophobicContact CE1-CD1 3.68Å; Y128-F489 HydrophobicContact CE1-CD2 4.41Å; Y128-F489 HydrophobicContact CE1-CE1 4.27Å; Y128-F489 AromaticContact CE1-CG 3.76Å; Y128-F489 HydrophobicContact CE1-CG 3.76Å; Y128-L492 HydrophobicContact CE1-CD2 4.36Å; Y128-L492 WeakPolarHBondContact OH-CD2 3.05Å; Y128-L494 HydrophobicContact CD1-CD1 4.35Å; Y128-L494 HydrophobicContact CD1-CD2 3.89Å; Y128-L494 HydrophobicContact CD2-CD1 4.1Å; Y128-L494 HydrophobicContact CD2-CD2 3.51Å; Y128-L494 HydrophobicContact CD2-CG 4.42Å; Y128-L494 HydrophobicContact CE1-CD2 3.86Å; Y128-L494 HydrophobicContact CE2-CD2 3.5Å; Y128-L494 VanDerWaalsContact CE2-CD2 3.5Å; Y128-L494 HydrophobicContact CG-CD1 3.79Å; Y128-L494 HydrophobicContact CG-CD2 3.7Å; Y128-L494 HydrophobicContact CG-CG 4.41Å
129	T	89	Confident	90.8	Very high	75 Å²	75	55.9 Å²	55.9	46%	0.46	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-39.6	174.3	-54	0	0	0	0	111.2	A126 S127 L132	A126-T129 WeakPolarHBondContact O-CB 3.34Å; A126-T129 PolarHBondContact O-N 3.14Å; A126-T129 VanDerWaalsContact O-N 3.09Å; S127-T129 VanDerWaalsContact C-N 3.3Å; S127-T129 PolarHBondContact O-N 3.37Å; T129-L132 PolarHBondContact O-N 2.97Å
130	A	87.1	Confident	90.6	Very high	46 Å²	46	53.9 Å²	53.9	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-40.7	173.7	0	0	0	0	0	111.9	A126 S127 Y128 L132 T133 S134	A126-A130 PolarHBondContact O-N 2.98Å; S127-A130 WeakPolarHBondContact O-CB 3.23Å; S127-A130 PolarHBondContact O-N 3.04Å; Y128-A130 VanDerWaalsContact C-N 3.28Å; Y128-A130 PolarHBondContact O-N 3.48Å; A130-L132 PolarHBondContact O-N 3.2Å; A130-T133 PolarHBondContact O-N 2.93Å; A130-T133 PolarHBondContact O-OG1 3.23Å; A130-S134 PolarHBondContact O-N 3.17Å
131	H	89.6	Confident	90.3	Very high	28 Å²	28	56 Å²	56	13%	0.13	33%	0.33	C	S	.	.	H	α-helix	trans	-55.9	-36.3	176.7	178.6	94.6	0	0	0	112.6	S127 Y128 T133 S134 L136 F178	S127-H131 PolarHBondContact O-N 3.43Å; Y128-H131 WeakPolarHBondContact O-CB 3.42Å; Y128-H131 PolarHBondContact O-N 2.98Å; Y128-H131 VanDerWaalsContact O-N 3.14Å; H131-T133 PolarHBondContact O-N 2.02Å; H131-S134 WeakPolarHBondContact CA-O 3.43Å; H131-S134 CarbonylContact O-C 3.59Å; H131-L136 HydrophobicContact CB-CB 4.29Å; H131-L136 HydrophobicContact CB-CD1 4.27Å; H131-L136 HydrophobicContact CB-CG 4.25Å; H131-L136 PolarHBondContact ND1-N 3.41Å; H131-L136 PolarHBondContact ND1-O 2.85Å; H131-L136 VanDerWaalsContact ND1-O 3.14Å; H131-F178 HydrophobicContact CB-CD2 3.71Å; H131-F178 HydrophobicContact CB-CE2 4.03Å; H131-F178 AromaticContact CG-CD2 3.69Å; H131-F178 AromaticContact ND1-CD2 3.72Å
132	L	89.1	Confident	90	Very high	100 Å²	100	55.5 Å²	55.5	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-26.1	175.6	-64.3	175.5	0	0	0	113.4	Y128 T129 A130 F489	Y128-L132 HydrophobicContact CD1-CG 4.46Å; Y128-L132 HydrophobicContact CE1-CD1 4.43Å; Y128-L132 HydrophobicContact CE1-CD2 4.08Å; Y128-L132 HydrophobicContact CE1-CG 4.29Å; Y128-L132 WeakPolarHBondContact O-CG 3.5Å; Y128-L132 PolarHBondContact O-N 3.34Å; Y128-L132 VanDerWaalsContact O-N 3.13Å; T129-L132 PolarHBondContact O-N 2.97Å; A130-L132 PolarHBondContact O-N 3.2Å; L132-F489 HydrophobicContact CD1-CE1 3.77Å; L132-F489 HydrophobicContact CD1-CE2 4.33Å; L132-F489 HydrophobicContact CD1-CZ 3.55Å
133	T	88.4	Confident	89.8	Confident	124 Å²	124	51.7 Å²	51.7	76%	0.761	32%	0.315	S	S	*	.	H	α-helix	trans	-95.8	-37.4	178.1	64.1	0	0	0	0	112.9	A130 H131	A130-T133 PolarHBondContact O-N 2.93Å; A130-T133 PolarHBondContact O-OG1 3.23Å; H131-T133 PolarHBondContact O-N 2.02Å
134	S	86.9	Confident	89.5	Confident	74 Å²	74	54.2 Å²	54.2	52%	0.517	33%	0.331	S	S	.	.	S	Bend	trans	-142	113.7	179.1	175.5	0	0	0	0	109	A130 H131 L136	A130-S134 PolarHBondContact O-N 3.17Å; H131-S134 WeakPolarHBondContact CA-O 3.43Å; H131-S134 CarbonylContact O-C 3.59Å; S134-L136 PolarHBondContact O-N 2.97Å; S134-L136 VanDerWaalsContact O-N 3.08Å
135	P	85.7	Confident	89.2	Confident	88 Å²	88	54.8 Å²	54.8	57%	0.571	33%	0.334	S	S	*	.			trans	-59.7	114.2	-172.9	-23.8	32.5	0	0	0	113.2	T137	P135-T137 HydrophobicContact CB-CG2 3.86Å; P135-T137 PolarHBondContact O-N 3.03Å
136	L	87.5	Confident	89	Confident	37 Å²	37	55.1 Å²	55.1	19%	0.194	34%	0.34	C	S	.	.			trans	-83.9	97	167.9	-59.9	175.1	0	0	0	109.5	S127 H131 S134 F178 N179 D183	S127-L136 WeakPolarHBondContact O-CD1 3.41Å; H131-L136 HydrophobicContact CB-CB 4.29Å; H131-L136 HydrophobicContact CB-CD1 4.27Å; H131-L136 HydrophobicContact CB-CG 4.25Å; H131-L136 PolarHBondContact ND1-N 3.41Å; H131-L136 PolarHBondContact ND1-O 2.85Å; H131-L136 VanDerWaalsContact ND1-O 3.14Å; S134-L136 PolarHBondContact O-N 2.97Å; S134-L136 VanDerWaalsContact O-N 3.08Å; L136-F178 HydrophobicContact CD1-CE2 4.33Å; L136-N179 PolarHBondContact O-N 2.99Å; L136-D183 WeakPolarHBondContact CD1-OD2 3.33Å
137	T	87.4	Confident	88.7	Confident	48 Å²	48	57.4 Å²	57.4	29%	0.294	35%	0.35	S	S	.	.			trans	-132.7	5.4	-173	64.8	0	0	0	0	113.6	P135 I139	P135-T137 HydrophobicContact CB-CG2 3.86Å; P135-T137 PolarHBondContact O-N 3.03Å; T137-I139 PolarHBondContact O-N 2.61Å
138	A	87.8	Confident	88.6	Confident	47 Å²	47	62.1 Å²	62.1	39%	0.388	38%	0.383	S	S	.	.			trans	-69.8	122.1	-176.1	0	0	0	0	0	110.8	N179	A138-N179 PolarHBondContact O-ND2 3.47Å
139	I	88.8	Confident	88.4	Confident	68 Å²	68	64.6 Å²	64.6	35%	0.349	40%	0.397	S	S	.	.			trans	-105.2	136.5	-179.2	-62.3	167.3	0	0	0	110.1	T137 D167 L169	T137-I139 PolarHBondContact O-N 2.61Å; I139-D167 WeakPolarHBondContact CA-OD2 3.46Å; I139-D167 HydrophobicContact CG2-CB 3.94Å; I139-L169 HydrophobicContact CD1-CD1 4Å; I139-L169 HydrophobicContact CD1-CD2 4.03Å; I139-L169 HydrophobicContact CG1-CD2 4.48Å; I139-L169 HydrophobicContact CG2-CD1 4.16Å; I139-L169 HydrophobicContact CG2-CD2 4.05Å; I139-L169 HydrophobicContact CG2-CG 4.38Å
140	Q	89.8	Confident	88.5	Confident	57 Å²	57	62.1 Å²	62.1	27%	0.266	38%	0.38	S	S	.	.			trans	-119.9	87.7	174.4	-174.2	67.6	47.7	0	0	110	C142 C166 D167	Q140-C142 PolarHBondContact O-N 2.82Å; Q140-C166 CarbonylContact O-C 3.38Å; Q140-C166 WeakPolarHBondContact O-CA 3.38Å; Q140-D167 PolarHBondContact N-OD2 3.17Å; Q140-D167 PolarHBondContact O-N 2.96Å
141	D	89.5	Confident	88.7	Confident	47 Å²	47	67.5 Å²	67.5	25%	0.251	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-62.1	126.2	-176.1	-173.3	-10.7	0	0	0	111.8	C143 T144 D167 R168	D141-C143 PolarHBondContact O-N 3.4Å; D141-C143 WeakPolarHBondContact OD1-CB 2.92Å; D141-C143 PolarHBondContact OD1-N 2.63Å; D141-T144 HydrophobicContact CB-CG2 4.04Å; D141-T144 PolarHBondContact O-N 3.05Å; D141-T144 PolarHBondContact O-OG1 3.16Å; D141-D167 WeakPolarHBondContact CA-O 2.97Å; D141-R168 IonicContact OD1-NH1 3.9Å; D141-R168 PolarHBondContact OD1-NH1 2.82Å; D141-R168 VanDerWaalsContact OD1-NH1 3.11Å; D141-R168 IonicContact OD2-NH1 3.56Å
142	C	90.1	Very high	88.7	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.014	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-51.4	-29.6	175.4	-60.7	0	0	0	0	113.1	Q140 T144 C166 D167 R168 F218	Q140-C142 PolarHBondContact O-N 2.82Å; C142-T144 VanDerWaalsContact C-N 3.28Å; C142-T144 PolarHBondContact O-N 3.4Å; C142-C166 VanDerWaalsContact CA-SG 3.56Å; C142-C166 HydrophobicContact CB-CB 3.78Å; C142-C166 WeakPolarHBondContact CB-SG 3.47Å; C142-C166 WeakPolarHBondContact SG-CB 3.21Å; C142-C166 CovalentContact SG-SG 2.03Å; C142-C166 PolarHBondContact SG-SG 3.07Å; C142-D167 PolarHBondContact N-O 3.24Å; C142-D167 PolarHBondContact SG-N 3.36Å; C142-R168 HydrophobicContact CB-CG 4.44Å; C142-F218 HydrophobicContact CB-CB 4.01Å
143	C	88.2	Confident	88.4	Confident	48 Å²	48	68 Å²	68	32%	0.324	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-76.2	-13.8	-178.9	-62.3	0	0	0	0	114.4	D141 R168 C220	D141-C143 PolarHBondContact O-N 3.4Å; D141-C143 WeakPolarHBondContact OD1-CB 2.92Å; D141-C143 PolarHBondContact OD1-N 2.63Å; C143-R168 PolarHBondContact SG-NH1 3.5Å; C143-C220 WeakPolarHBondContact CA-SG 3.36Å; C143-C220 HydrophobicContact CB-CB 3.9Å; C143-C220 WeakPolarHBondContact CB-SG 3.34Å; C143-C220 VanDerWaalsContact SG-CA 3.57Å; C143-C220 WeakPolarHBondContact SG-CB 3.43Å; C143-C220 CovalentContact SG-SG 2.02Å; C143-C220 PolarHBondContact SG-SG 3.29Å
144	T	89.4	Confident	88	Confident	90 Å²	90	64.9 Å²	64.9	55%	0.552	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-101.9	-3.6	-176.7	64.1	0	0	0	0	113.3	D141 C142 P146	D141-T144 HydrophobicContact CB-CG2 4.04Å; D141-T144 PolarHBondContact O-N 3.05Å; D141-T144 PolarHBondContact O-OG1 3.16Å; C142-T144 VanDerWaalsContact C-N 3.28Å; C142-T144 PolarHBondContact O-N 3.4Å; T144-P146 WeakPolarHBondContact O-CD 3.32Å
145	I	88.8	Confident	87.7	Confident	12 Å²	12	63 Å²	63	6%	0.062	37%	0.372	C	S	.	.			trans	-73	123.1	-175.3	-62.9	-178.8	0	0	0	109.6	M149 M150 C166 A215	I145-M149 HydrophobicContact CG2-CE 3.67Å; I145-M150 HydrophobicContact CB-CE 3.57Å; I145-M150 HydrophobicContact CG2-CE 3.41Å; I145-M150 VanDerWaalsContact CG2-CE 3.41Å; I145-M150 HydrophobicContact CG2-CG 4.37Å; I145-C166 HydrophobicContact CD1-CB 3.36Å; I145-A215 HydrophobicContact CD1-CB 3.5Å
146	P	88.8	Confident	87.8	Confident	54 Å²	54	58.9 Å²	58.9	35%	0.351	35%	0.345	S	S	.	.			trans	-64.1	139.2	-179	23.2	-34.3	0	0	0	111.6	T144 S148 M149	T144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-S148 PolarHBondContact O-N 3.45Å; P146-S148 VanDerWaalsContact O-N 3.09Å; P146-M149 VanDerWaalsContact CD-CE 3.44Å; P146-M149 HydrophobicContact CG-CE 3.49Å; P146-M149 VanDerWaalsContact CG-CE 3.49Å; P146-M149 HydrophobicContact CG-CG 3.98Å; P146-M149 HydrophobicContact CG-SD 3.96Å; P146-M149 PolarHBondContact O-N 2.78Å; P146-M149 VanDerWaalsContact O-N 3.08Å
147	P	85.8	Confident	87.7	Confident	110 Å²	110	61 Å²	61	71%	0.714	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-57.3	-25.7	178.1	-26.2	34.3	0	0	0	114.2	M149 M150	P147-M149 PolarHBondContact O-N 3.25Å; P147-M150 PolarHBondContact O-N 2.81Å; P147-M150 VanDerWaalsContact O-N 3.11Å
148	S	89.9	Confident	87.7	Confident	114 Å²	114	60.4 Å²	60.4	80%	0.797	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.8	-15.3	178.6	61.4	0	0	0	0	114.3	P146	P146-S148 PolarHBondContact O-N 3.45Å; P146-S148 VanDerWaalsContact O-N 3.09Å
149	M	89.7	Confident	87.9	Confident	88 Å²	88	61.7 Å²	61.7	43%	0.433	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-99.2	3.1	176.3	-60.7	-171.2	-43.4	0	0	112.9	I145 P146 P147 S161	I145-M149 HydrophobicContact CG2-CE 3.67Å; P146-M149 VanDerWaalsContact CD-CE 3.44Å; P146-M149 HydrophobicContact CG-CE 3.49Å; P146-M149 VanDerWaalsContact CG-CE 3.49Å; P146-M149 HydrophobicContact CG-CG 3.98Å; P146-M149 HydrophobicContact CG-SD 3.96Å; P146-M149 PolarHBondContact O-N 2.78Å; P146-M149 VanDerWaalsContact O-N 3.08Å; P147-M149 PolarHBondContact O-N 3.25Å; M149-S161 WeakPolarHBondContact O-CB 3.46Å; M149-S161 PolarHBondContact O-OG 2.99Å
150	M	90.1	Very high	88.1	Confident	22 Å²	22	58.6 Å²	58.6	11%	0.108	34%	0.338	C	S	.	.			trans	-114.4	136	-179	-57.1	-175.9	179.1	0	0	110.4	I145 P147 N159 V160 K217	I145-M150 HydrophobicContact CB-CE 3.57Å; I145-M150 HydrophobicContact CG2-CE 3.41Å; I145-M150 VanDerWaalsContact CG2-CE 3.41Å; I145-M150 HydrophobicContact CG2-CG 4.37Å; P147-M150 PolarHBondContact O-N 2.81Å; P147-M150 VanDerWaalsContact O-N 3.11Å; M150-N159 HydrophobicContact CB-CB 3.98Å; M150-V160 WeakPolarHBondContact CA-O 3.3Å; M150-K217 HydrophobicContact SD-CB 4.39Å
151	E	91.3	Very high	88.3	Confident	159 Å²	159	56.1 Å²	56.1	74%	0.743	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.1	174.8	-67.4	-177.9	173.7	0	0	109.4	D153 N159 V160	E151-D153 PolarHBondContact O-N 3.04Å; E151-N159 CarbonylContact O-C 3.51Å; E151-N159 WeakPolarHBondContact O-CA 3.14Å; E151-V160 PolarHBondContact N-O 3.2Å; E151-V160 PolarHBondContact O-N 3.03Å
152	F	88.8	Confident	88.4	Confident	125 Å²	125	60.9 Å²	60.9	55%	0.548	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.6	176.2	-178.1	-98.5	0	0	0	110.2	N159	F152-N159 VanDerWaalsContact CA-OD1 3.28Å; F152-N159 WeakPolarHBondContact CA-OD1 3.42Å; F152-N159 VanDerWaalsContact CB-OD1 3.29Å; F152-N159 WeakPolarHBondContact CB-OD1 3.47Å; F152-N159 WeakPolarHBondContact CD2-OD1 3.42Å
153	D	84.8	Confident	88.4	Confident	15 Å²	15	65.6 Å²	65.6	8%	0.08	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.1	179.7	-168.6	-36.5	0	0	0	110.6	E151 N155 F156 N157 T158 V160 R162	E151-D153 PolarHBondContact O-N 3.04Å; D153-N155 PolarHBondContact O-N 2.86Å; D153-N155 WeakPolarHBondContact OD1-CB 2.9Å; D153-N155 PolarHBondContact OD1-N 3.18Å; D153-F156 HydrophobicContact CB-CB 4.42Å; D153-F156 HydrophobicContact CB-CD2 3.94Å; D153-F156 VanDerWaalsContact CG-CD2 3.45Å; D153-F156 PolarHBondContact O-N 3.39Å; D153-F156 VanDerWaalsContact O-N 3.09Å; D153-N157 PolarHBondContact O-N 3.26Å; D153-T158 PolarHBondContact N-O 2.89Å; D153-V160 HydrophobicContact CB-CG2 3.59Å; D153-R162 IonicContact OD1-NH2 2.7Å; D153-R162 IonicContact OD2-CZ 3.11Å; D153-R162 IonicContact OD2-NE 3.5Å; D153-R162 PolarHBondContact OD2-NE 2.96Å; D153-R162 IonicContact OD2-NH2 3.75Å; D153-R162 PolarHBondContact OD2-NH2 3.3Å
154	G	78.7	Confident	88.6	Confident	57 Å²	57	65.4 Å²	65.4	59%	0.588	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25	-178.1	0	0	0	0	0	114.1	F156	G154-F156 VanDerWaalsContact C-N 3.33Å
155	N	81.8	Confident	88.8	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.193	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-34.1	175.3	-173.6	32.7	0	0	0	111.1	D153 I198 K199 Y680	D153-N155 PolarHBondContact O-N 2.86Å; D153-N155 WeakPolarHBondContact OD1-CB 2.9Å; D153-N155 PolarHBondContact OD1-N 3.18Å; N155-I198 PolarHBondContact ND2-O 3.28Å; N155-K199 WeakPolarHBondContact O-CD 3.12Å; N155-K199 WeakPolarHBondContact O-CE 3.33Å; N155-K199 PolarHBondContact O-NZ 3.46Å; N155-Y680 PolarHBondContact OD1-OH 3.29Å
156	F	86.1	Confident	89	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-15.6	-179.4	-65.7	-94.6	0	0	0	113.2	D153 G154 T158 V160 L192 K199 W200 P214 G476	D153-F156 HydrophobicContact CB-CB 4.42Å; D153-F156 HydrophobicContact CB-CD2 3.94Å; D153-F156 VanDerWaalsContact CG-CD2 3.45Å; D153-F156 PolarHBondContact O-N 3.39Å; D153-F156 VanDerWaalsContact O-N 3.09Å; G154-F156 VanDerWaalsContact C-N 3.33Å; F156-T158 HydrophobicContact CB-CG2 4.01Å; F156-T158 PolarHBondContact O-N 3.24Å; F156-V160 HydrophobicContact CB-CG1 3.94Å; F156-V160 HydrophobicContact CD1-CG1 4.36Å; F156-V160 HydrophobicContact CD2-CG1 4.43Å; F156-V160 HydrophobicContact CD2-CG2 4.39Å; F156-V160 HydrophobicContact CG-CG1 4.01Å; F156-L192 HydrophobicContact CE2-CD1 4.49Å; F156-L192 HydrophobicContact CZ-CD1 4.07Å; F156-L192 HydrophobicContact CZ-CD2 4.41Å; F156-K199 VanDerWaalsContact CE1-C 3.41Å; F156-K199 WeakPolarHBondContact CE1-O 3.39Å; F156-K199 WeakPolarHBondContact CZ-O 3.4Å; F156-W200 HydrophobicContact CB-CH2 4.28Å; F156-W200 HydrophobicContact CB-CZ2 4.4Å; F156-W200 HydrophobicContact CD1-CD2 4.03Å; F156-W200 AromaticContact CD1-CE2 3.87Å; F156-W200 AromaticContact CD1-CE3 3.86Å; F156-W200 HydrophobicContact CD1-CE3 3.86Å; F156-W200 AromaticContact CD1-CH2 3.45Å; F156-W200 HydrophobicContact CD1-CH2 3.45Å; F156-W200 VanDerWaalsContact CD1-CH2 3.45Å; F156-W200 AromaticContact CD1-CZ2 3.6Å; F156-W200 HydrophobicContact CD1-CZ2 3.6Å; F156-W200 AromaticContact CD1-CZ3 3.57Å; F156-W200 HydrophobicContact CD1-CZ3 3.57Å; F156-W200 HydrophobicContact CE1-CD2 4.02Å; F156-W200 AromaticContact CE1-CE3 3.72Å; F156-W200 HydrophobicContact CE1-CE3 3.72Å; F156-W200 HydrophobicContact CE1-CH2 4.14Å; F156-W200 HydrophobicContact CE1-CZ2 4.4Å; F156-W200 AromaticContact CE1-CZ3 3.78Å; F156-W200 HydrophobicContact CE1-CZ3 3.78Å; F156-W200 HydrophobicContact CG-CH2 4.26Å; F156-W200 HydrophobicContact CG-CZ2 4.5Å; F156-P214 HydrophobicContact CD1-CG 4.32Å; F156-P214 HydrophobicContact CE1-CG 3.64Å; F156-P214 HydrophobicContact CE2-CG 4.14Å; F156-P214 HydrophobicContact CZ-CG 3.57Å; F156-G476 WeakPolarHBondContact O-CA 3.45Å
157	N	85.3	Confident	89.2	Confident	82 Å²	82	58.3 Å²	58.3	44%	0.439	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	32.2	-171.4	-157.2	23	0	0	0	113.2	D153 D477	D153-N157 PolarHBondContact O-N 3.26Å; N157-D477 HydrophobicContact CB-CB 3.86Å; N157-D477 PolarHBondContact ND2-OD2 3.27Å
158	T	88.9	Confident	89.4	Confident	34 Å²	34	54 Å²	54	21%	0.209	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	169.1	179.9	-167.4	0	0	0	0	111.2	D153 F156 V160 W200 H216	D153-T158 PolarHBondContact N-O 2.89Å; F156-T158 HydrophobicContact CB-CG2 4.01Å; F156-T158 PolarHBondContact O-N 3.24Å; T158-V160 HydrophobicContact CG2-CG1 3.73Å; T158-W200 HydrophobicContact CG2-CH2 3.91Å; T158-W200 HydrophobicContact CG2-CZ2 4.36Å; T158-H216 HydrophobicContact CG2-CB 4.39Å
159	N	90.8	Very high	89.4	Confident	74 Å²	74	51 Å²	51	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.8	175.8	-70.8	7	0	0	0	110.1	M150 E151 F152	M150-N159 HydrophobicContact CB-CB 3.98Å; E151-N159 CarbonylContact O-C 3.51Å; E151-N159 WeakPolarHBondContact O-CA 3.14Å; F152-N159 VanDerWaalsContact CA-OD1 3.28Å; F152-N159 WeakPolarHBondContact CA-OD1 3.42Å; F152-N159 VanDerWaalsContact CB-OD1 3.29Å; F152-N159 WeakPolarHBondContact CB-OD1 3.47Å; F152-N159 WeakPolarHBondContact CD2-OD1 3.42Å
160	V	93	Very high	89.2	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.6	-175.7	-55.4	0	0	0	0	111.8	M150 E151 D153 F156 T158 R162 W200 P214 A215 H216	M150-V160 WeakPolarHBondContact CA-O 3.3Å; E151-V160 PolarHBondContact N-O 3.2Å; E151-V160 PolarHBondContact O-N 3.03Å; D153-V160 HydrophobicContact CB-CG2 3.59Å; F156-V160 HydrophobicContact CB-CG1 3.94Å; F156-V160 HydrophobicContact CD1-CG1 4.36Å; F156-V160 HydrophobicContact CD2-CG1 4.43Å; F156-V160 HydrophobicContact CD2-CG2 4.39Å; F156-V160 HydrophobicContact CG-CG1 4.01Å; T158-V160 HydrophobicContact CG2-CG1 3.73Å; V160-R162 HydrophobicContact CG2-CG 4.28Å; V160-W200 HydrophobicContact CG1-CH2 4.13Å; V160-W200 HydrophobicContact CG1-CZ3 4.3Å; V160-P214 HydrophobicContact CB-CB 4.03Å; V160-P214 HydrophobicContact CB-CG 3.82Å; V160-P214 HydrophobicContact CG1-CG 4.08Å; V160-P214 HydrophobicContact CG2-CB 4.43Å; V160-P214 HydrophobicContact CG2-CG 4.14Å; V160-A215 CarbonylContact C-O 3.56Å; V160-A215 VanDerWaalsContact CA-O 3.25Å; V160-A215 WeakPolarHBondContact CA-O 3.38Å; V160-H216 HydrophobicContact CG1-CB 4.07Å
161	S	93.9	Very high	88.8	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.028	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.3	169.9	-171.9	0	0	0	0	109.6	M149 T163 P214 A215	M149-S161 WeakPolarHBondContact O-CB 3.46Å; M149-S161 PolarHBondContact O-OG 2.99Å; S161-T163 PolarHBondContact O-N 2.87Å; S161-T163 PolarHBondContact OG-OG1 2.59Å; S161-P214 WeakPolarHBondContact O-CB 3.31Å; S161-A215 PolarHBondContact N-O 3.05Å; S161-A215 PolarHBondContact O-N 3.39Å
162	R	91.3	Very high	88.1	Confident	148 Å²	148	45.9 Å²	45.9	56%	0.558	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	6	-176.9	-65.5	179.8	172.5	-168.9	-1.7	114.3	D153 V160 L192 F213	D153-R162 IonicContact OD1-NH2 2.7Å; D153-R162 IonicContact OD2-CZ 3.11Å; D153-R162 IonicContact OD2-NE 3.5Å; D153-R162 PolarHBondContact OD2-NE 2.96Å; D153-R162 IonicContact OD2-NH2 3.75Å; D153-R162 PolarHBondContact OD2-NH2 3.3Å; V160-R162 HydrophobicContact CG2-CG 4.28Å; R162-L192 HydrophobicContact CG-CD2 4.41Å; R162-F213 VanDerWaalsContact O-CZ 3.28Å; R162-F213 WeakPolarHBondContact O-CZ 3.19Å
163	T	90.4	Very high	88	Confident	101 Å²	101	41.5 Å²	41.5	62%	0.62	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-22.3	-175.5	56.2	0	0	0	0	113.3	S161	S161-T163 PolarHBondContact O-N 2.87Å; S161-T163 PolarHBondContact OG-OG1 2.59Å
164	V	92.3	Very high	88	Confident	43 Å²	43	45 Å²	45	26%	0.261	26%	0.256	S	S	.	.			trans	-133.3	146.6	-176.8	-65.3	0	0	0	0	111.4	A215	V164-A215 HydrophobicContact CG2-CB 4.15Å; V164-A215 WeakPolarHBondContact O-CB 3.01Å; V164-A215 PolarHBondContact O-N 3.49Å
165	S	94.1	Very high	88.2	Confident	4 Å²	4	47 Å²	47	3%	0.028	26%	0.261	C	S	.	.			trans	-85.8	166.5	164.6	64.2	0	0	0	0	110.7	G181 N185 V212	S165-G181 PolarHBondContact OG-O 3.23Å; S165-N185 WeakPolarHBondContact CB-OD1 3.46Å; S165-N185 PolarHBondContact N-OD1 3.44Å; S165-N185 PolarHBondContact OG-OD1 3.38Å; S165-V212 VanDerWaalsContact CA-O 3.29Å; S165-V212 WeakPolarHBondContact CA-O 3.16Å; S165-V212 WeakPolarHBondContact CB-O 3.36Å
166	C	93.3	Very high	88.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.4	174.3	74.3	0	0	0	0	111.7	Q140 C142 I145 T211 V212 A215	Q140-C166 CarbonylContact O-C 3.38Å; Q140-C166 WeakPolarHBondContact O-CA 3.38Å; C142-C166 VanDerWaalsContact CA-SG 3.56Å; C142-C166 HydrophobicContact CB-CB 3.78Å; C142-C166 WeakPolarHBondContact CB-SG 3.47Å; C142-C166 WeakPolarHBondContact SG-CB 3.21Å; C142-C166 CovalentContact SG-SG 2.03Å; C142-C166 PolarHBondContact SG-SG 3.07Å; I145-C166 HydrophobicContact CD1-CB 3.36Å; C166-T211 CarbonylContact O-C 3.57Å; C166-T211 WeakPolarHBondContact O-CA 3.04Å; C166-V212 PolarHBondContact N-O 2.96Å; C166-V212 PolarHBondContact O-N 3.26Å; C166-A215 HydrophobicContact CB-CB 3.7Å
167	D	92.6	Very high	88.5	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.8	-171.5	-57.7	-46	0	0	0	111.8	I139 Q140 D141 C142 N179 I209 F210 T211	I139-D167 WeakPolarHBondContact CA-OD2 3.46Å; I139-D167 HydrophobicContact CG2-CB 3.94Å; Q140-D167 PolarHBondContact N-OD2 3.17Å; Q140-D167 PolarHBondContact O-N 2.96Å; D141-D167 WeakPolarHBondContact CA-O 2.97Å; C142-D167 PolarHBondContact N-O 3.24Å; C142-D167 PolarHBondContact SG-N 3.36Å; D167-N179 PolarHBondContact OD2-ND2 3.06Å; D167-I209 HydrophobicContact CB-CG2 4.41Å; D167-F210 CarbonylContact C-O 3.46Å; D167-F210 VanDerWaalsContact CA-O 3.31Å; D167-F210 WeakPolarHBondContact CA-O 3.39Å; D167-T211 VanDerWaalsContact OD1-CB 3.32Å; D167-T211 WeakPolarHBondContact OD1-CB 3.36Å; D167-T211 WeakPolarHBondContact OD1-CG2 3.28Å; D167-T211 PolarHBondContact OD1-OG1 3.09Å
168	R	90.9	Very high	88.9	Confident	19 Å²	19	50.6 Å²	50.6	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.4	162.8	-66.9	-61.9	-62.6	151.4	-1.2	109.1	D141 C142 C143 F210 F218 G222 Y224	D141-R168 IonicContact OD1-NH1 3.9Å; D141-R168 PolarHBondContact OD1-NH1 2.82Å; D141-R168 VanDerWaalsContact OD1-NH1 3.11Å; D141-R168 IonicContact OD2-NH1 3.56Å; C142-R168 HydrophobicContact CB-CG 4.44Å; C143-R168 PolarHBondContact SG-NH1 3.5Å; R168-F210 HydrophobicContact CB-CB 4.5Å; R168-F210 HydrophobicContact CB-CD1 4.43Å; R168-F210 PolarHBondContact N-O 3Å; R168-F210 PolarHBondContact O-N 3.41Å; R168-F218 HydrophobicContact CG-CD1 3.97Å; R168-F218 HydrophobicContact CG-CD2 4.06Å; R168-F218 HydrophobicContact CG-CE1 4.2Å; R168-F218 HydrophobicContact CG-CE2 4.28Å; R168-F218 HydrophobicContact CG-CG 3.91Å; R168-F218 HydrophobicContact CG-CZ 4.35Å; R168-G222 PolarHBondContact NH2-O 2.95Å; R168-Y224 HydrophobicContact CB-CD1 3.79Å; R168-Y224 HydrophobicContact CB-CG 4.15Å; R168-Y224 HydrophobicContact CG-CD1 4.49Å
169	L	88.7	Confident	89	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.277	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.6	-172.6	-52.8	178.9	0	0	0	111.1	I139 V173 I209 Y224	I139-L169 HydrophobicContact CD1-CD1 4Å; I139-L169 HydrophobicContact CD1-CD2 4.03Å; I139-L169 HydrophobicContact CG1-CD2 4.48Å; I139-L169 HydrophobicContact CG2-CD1 4.16Å; I139-L169 HydrophobicContact CG2-CD2 4.05Å; I139-L169 HydrophobicContact CG2-CG 4.38Å; L169-V173 HydrophobicContact CB-CG2 4.32Å; L169-I209 HydrophobicContact CD2-CB 4.46Å; L169-I209 HydrophobicContact CD2-CG1 4Å; L169-I209 HydrophobicContact CD2-CG2 4.22Å; L169-Y224 PolarHBondContact O-N 2.68Å
170	S	86.9	Confident	89	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.063	24%	0.239	C	C	.	.			trans	-74.6	162.5	162.6	-178.9	0	0	0	0	111.2	T172 V173 G208 E225 R227 T448	S170-T172 PolarHBondContact O-N 2.98Å; S170-V173 WeakPolarHBondContact O-CG2 3.35Å; S170-G208 WeakPolarHBondContact CB-O 3.28Å; S170-G208 PolarHBondContact N-O 3.03Å; S170-E225 VanDerWaalsContact CB-OE2 3.26Å; S170-E225 WeakPolarHBondContact CB-OE2 3.21Å; S170-E225 PolarHBondContact OG-OE2 3.16Å; S170-R227 PolarHBondContact OG-NH2 3.05Å; S170-R227 VanDerWaalsContact OG-NH2 3.13Å; S170-T448 WeakPolarHBondContact OG-CG2 3.29Å
171	T	80.1	Confident	88.5	Confident	73 Å²	73	45.6 Å²	45.6	45%	0.448	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.7	179.8	54	0	0	0	0	113.9
172	T	78.2	Confident	88	Confident	78 Å²	78	52 Å²	52	48%	0.479	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.9	-169.6	48.9	0	0	0	0	114.1	S170 R227 T448	S170-T172 PolarHBondContact O-N 2.98Å; T172-R227 PolarHBondContact OG1-NH2 2.89Å; T172-T448 HydrophobicContact CG2-CG2 4.15Å
173	V	85.3	Confident	87.7	Confident	33 Å²	33	48.6 Å²	48.6	20%	0.2	26%	0.255	C	S	.	.			trans	-71.1	130.7	-173.8	178.9	0	0	0	0	111.6	L169 S170 A177 G208 I209	L169-V173 HydrophobicContact CB-CG2 4.32Å; S170-V173 WeakPolarHBondContact O-CG2 3.35Å; V173-A177 HydrophobicContact CG1-CB 3.94Å; V173-G208 VanDerWaalsContact CG2-O 3.23Å; V173-G208 WeakPolarHBondContact CG2-O 3.02Å; V173-I209 HydrophobicContact CG1-CD1 4.05Å; V173-I209 HydrophobicContact CG1-CG1 3.7Å; V173-I209 HydrophobicContact CG2-CG1 4.32Å
174	N	85.5	Confident	87.7	Confident	90 Å²	90	44 Å²	44	48%	0.481	23%	0.226	S	C	.	.			trans	-75.8	139.6	173.2	-172.3	-18.9	0	0	0	110.8	R176 A177	N174-R176 PolarHBondContact O-N 3.14Å; N174-R176 PolarHBondContact OD1-N 3.43Å; N174-R176 VanDerWaalsContact OD1-N 3.08Å; N174-A177 HydrophobicContact CB-CB 4.45Å; N174-A177 WeakPolarHBondContact O-CB 3.39Å; N174-A177 PolarHBondContact O-N 2.95Å
175	S	82.1	Confident	87.7	Confident	97 Å²	97	43.2 Å²	43.2	68%	0.678	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-21.7	171.9	62.7	0	0	0	0	115.4
176	R	85.6	Confident	87.6	Confident	191 Å²	191	46.8 Å²	46.8	72%	0.721	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	8.9	177.3	-62.5	-173.3	-175.2	-179.3	1.3	114.1	N174	N174-R176 PolarHBondContact O-N 3.14Å; N174-R176 PolarHBondContact OD1-N 3.43Å; N174-R176 VanDerWaalsContact OD1-N 3.08Å
177	A	89.6	Confident	87.6	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	25%	0.25	C	C	.	.			trans	-59.2	145.7	-178.4	0	0	0	0	0	111.5	V173 N174 N179 E207 I209	V173-A177 HydrophobicContact CG1-CB 3.94Å; N174-A177 HydrophobicContact CB-CB 4.45Å; N174-A177 WeakPolarHBondContact O-CB 3.39Å; N174-A177 PolarHBondContact O-N 2.95Å; A177-N179 PolarHBondContact O-N 3.41Å; A177-E207 WeakPolarHBondContact CA-OE2 3.3Å; A177-E207 HydrophobicContact CB-CB 4.02Å; A177-E207 HydrophobicContact CB-CG 4.5Å; A177-E207 VanDerWaalsContact CB-OE2 3.28Å; A177-E207 WeakPolarHBondContact CB-OE2 3.41Å; A177-I209 HydrophobicContact CB-CD1 3.75Å; A177-I209 HydrophobicContact CB-CG1 4.45Å
178	F	92.7	Very high	87.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	25%	0.25	C	C	.	.			trans	-67.2	117.6	179.7	168.2	-118.5	0	0	0	110.7	V124 Y128 H131 L136 P180 F203 E207	V124-F178 HydrophobicContact CG1-CE1 3.97Å; V124-F178 HydrophobicContact CG1-CZ 4.35Å; Y128-F178 HydrophobicContact CD2-CB 4.15Å; Y128-F178 AromaticContact CD2-CD1 3.69Å; Y128-F178 HydrophobicContact CD2-CD1 3.69Å; Y128-F178 AromaticContact CD2-CD2 3.85Å; Y128-F178 HydrophobicContact CD2-CD2 3.85Å; Y128-F178 AromaticContact CD2-CE1 3.95Å; Y128-F178 HydrophobicContact CD2-CE1 3.95Å; Y128-F178 HydrophobicContact CD2-CE2 4.1Å; Y128-F178 AromaticContact CD2-CG 3.62Å; Y128-F178 HydrophobicContact CD2-CG 3.62Å; Y128-F178 HydrophobicContact CD2-CZ 4.14Å; Y128-F178 HydrophobicContact CE2-CB 4.09Å; Y128-F178 HydrophobicContact CE2-CD1 4.3Å; Y128-F178 HydrophobicContact CE2-CG 4.07Å; H131-F178 HydrophobicContact CB-CD2 3.71Å; H131-F178 HydrophobicContact CB-CE2 4.03Å; H131-F178 AromaticContact CG-CD2 3.69Å; H131-F178 AromaticContact ND1-CD2 3.72Å; L136-F178 HydrophobicContact CD1-CE2 4.33Å; F178-P180 HydrophobicContact CE1-CB 4.36Å; F178-P180 HydrophobicContact CE1-CG 3.86Å; F178-P180 HydrophobicContact CE2-CB 4.04Å; F178-P180 HydrophobicContact CE2-CG 4.34Å; F178-P180 HydrophobicContact CZ-CB 3.69Å; F178-P180 HydrophobicContact CZ-CG 3.7Å; F178-F203 HydrophobicContact CD1-CE1 4.28Å; F178-F203 HydrophobicContact CD1-CZ 4.22Å; F178-F203 HydrophobicContact CE1-CE1 4.16Å; F178-F203 HydrophobicContact CE1-CZ 4.03Å; F178-E207 PolarHBondContact N-OE2 3.45Å
179	N	92.4	Very high	87.9	Confident	6 Å²	6	48 Å²	48	3%	0.032	26%	0.258	C	S	.	.			trans	-127.8	101.5	175.1	-170.6	-4.5	0	0	0	111.6	L136 A138 D167 A177 G181 I209 T211	L136-N179 PolarHBondContact O-N 2.99Å; A138-N179 PolarHBondContact O-ND2 3.47Å; D167-N179 PolarHBondContact OD2-ND2 3.06Å; A177-N179 PolarHBondContact O-N 3.41Å; N179-G181 VanDerWaalsContact C-N 3.31Å; N179-G181 PolarHBondContact OD1-N 3.42Å; N179-I209 HydrophobicContact CB-CD1 3.93Å; N179-T211 PolarHBondContact OD1-OG1 2.67Å
180	P	90.8	Very high	88.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	26%	0.264	C	S	.	.			trans	-84.1	0.9	176.5	34.2	-34.8	0	0	0	113.7	V124 F178 R182 D183 L184 F203	V124-P180 HydrophobicContact CG2-CG 4.36Å; F178-P180 HydrophobicContact CE1-CB 4.36Å; F178-P180 HydrophobicContact CE1-CG 3.86Å; F178-P180 HydrophobicContact CE2-CB 4.04Å; F178-P180 HydrophobicContact CE2-CG 4.34Å; F178-P180 HydrophobicContact CZ-CB 3.69Å; F178-P180 HydrophobicContact CZ-CG 3.7Å; P180-R182 VanDerWaalsContact C-N 3.29Å; P180-R182 PolarHBondContact O-N 3.36Å; P180-D183 PolarHBondContact O-N 2.9Å; P180-L184 HydrophobicContact CB-CD1 4.25Å; P180-L184 HydrophobicContact CB-CG 4.27Å; P180-L184 HydrophobicContact CG-CD1 3.98Å; P180-L184 PolarHBondContact O-N 2.99Å; P180-L184 VanDerWaalsContact O-N 3.14Å; P180-F203 HydrophobicContact CG-CD1 3.61Å; P180-F203 HydrophobicContact CG-CE1 3.74Å; P180-F203 HydrophobicContact CG-CG 4.33Å
181	G	82.1	Confident	88.6	Confident	1 Å²	1	49 Å²	49	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-54.3	-37.4	-162.7	0	0	0	0	0	115.8	S165 N179 L184 N185	S165-G181 PolarHBondContact OG-O 3.23Å; N179-G181 VanDerWaalsContact C-N 3.31Å; N179-G181 PolarHBondContact OD1-N 3.42Å; G181-L184 PolarHBondContact O-N 3Å; G181-N185 PolarHBondContact O-OD1 2.82Å
182	R	83.2	Confident	89.2	Confident	138 Å²	138	46.6 Å²	46.6	52%	0.521	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-38.6	175.7	-73.6	-174	174	-177.3	-1.7	113.4	P180 L184 N185	P180-R182 VanDerWaalsContact C-N 3.29Å; P180-R182 PolarHBondContact O-N 3.36Å; R182-L184 PolarHBondContact O-N 3.48Å; R182-N185 WeakPolarHBondContact O-CB 3.29Å; R182-N185 PolarHBondContact O-N 2.61Å; R182-N185 PolarHBondContact O-ND2 3.06Å
183	D	84.9	Confident	89.8	Confident	77 Å²	77	51.8 Å²	51.8	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-74.3	-21.4	-178.3	-61.1	-20.1	0	0	0	111.5	L136 P180	L136-D183 WeakPolarHBondContact CD1-OD2 3.33Å; P180-D183 PolarHBondContact O-N 2.9Å
184	L	89.8	Confident	90.1	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-77.4	-21.8	174.8	-64.9	173.5	0	0	0	113.1	V123 V124 P180 G181 R182 S186 V187 L188 F203	V123-L184 HydrophobicContact CB-CD2 4Å; V123-L184 HydrophobicContact CG1-CD2 3.62Å; V124-L184 HydrophobicContact CG2-CD1 4.02Å; V124-L184 HydrophobicContact CG2-CD2 3.88Å; P180-L184 HydrophobicContact CB-CD1 4.25Å; P180-L184 HydrophobicContact CB-CG 4.27Å; P180-L184 HydrophobicContact CG-CD1 3.98Å; P180-L184 PolarHBondContact O-N 2.99Å; P180-L184 VanDerWaalsContact O-N 3.14Å; G181-L184 PolarHBondContact O-N 3Å; R182-L184 PolarHBondContact O-N 3.48Å; L184-S186 PolarHBondContact O-N 3.15Å; L184-V187 PolarHBondContact O-N 3.32Å; L184-L188 HydrophobicContact CB-CD1 3.66Å; L184-L188 HydrophobicContact CB-CG 3.97Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 3.2Å; L184-F203 HydrophobicContact CD1-CB 4.1Å
185	N	92.9	Very high	90.3	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-51.9	-46.4	-169.9	-75.2	-19.1	0	0	0	114.2	S165 G181 R182 A189	S165-N185 WeakPolarHBondContact CB-OD1 3.46Å; S165-N185 PolarHBondContact N-OD1 3.44Å; S165-N185 PolarHBondContact OG-OD1 3.38Å; G181-N185 PolarHBondContact O-OD1 2.82Å; R182-N185 WeakPolarHBondContact O-CB 3.29Å; R182-N185 PolarHBondContact O-N 2.61Å; R182-N185 PolarHBondContact O-ND2 3.06Å; N185-A189 VanDerWaalsContact O-CB 3.25Å; N185-A189 WeakPolarHBondContact O-CB 3.05Å; N185-A189 PolarHBondContact O-N 3.15Å
186	S	92.3	Very high	90.3	Very high	78 Å²	78	49.5 Å²	49.5	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-65.7	-41.8	-179.2	58.2	0	0	0	0	111.9	L184 D190	L184-S186 PolarHBondContact O-N 3.15Å; S186-D190 WeakPolarHBondContact O-CB 3.26Å; S186-D190 VanDerWaalsContact O-CG 3.28Å; S186-D190 PolarHBondContact O-N 3.13Å
187	V	93.9	Very high	90.4	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-68.5	-44.2	-179.7	177.6	0	0	0	0	110.5	R119 V123 L184 A189 D190 N191	R119-V187 HydrophobicContact CG-CG1 3.98Å; V123-V187 HydrophobicContact CG2-CG1 4.36Å; V123-V187 HydrophobicContact CG2-CG2 4.04Å; L184-V187 PolarHBondContact O-N 3.32Å; V187-A189 PolarHBondContact O-N 3.22Å; V187-D190 PolarHBondContact O-N 3.09Å; V187-N191 WeakPolarHBondContact O-CB 3.48Å; V187-N191 PolarHBondContact O-N 3.29Å; V187-N191 PolarHBondContact O-ND2 3.34Å; V187-N191 PolarHBondContact O-OD1 3.37Å
188	L	95.3	Very high	90.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-39.9	178.4	-61.5	176.7	0	0	0	111.7	N120 L184 N191 L192 Q201 F213	N120-L188 WeakPolarHBondContact ND2-CD2 2.88Å; L184-L188 HydrophobicContact CB-CD1 3.66Å; L184-L188 HydrophobicContact CB-CG 3.97Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 3.2Å; L188-N191 PolarHBondContact O-N 2.86Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.93Å; L188-Q201 HydrophobicContact CD2-CB 3.78Å; L188-Q201 HydrophobicContact CD2-CG 4.45Å; L188-Q201 PolarHBondContact O-NE2 3.31Å; L188-F213 HydrophobicContact CB-CB 4.06Å; L188-F213 HydrophobicContact CB-CD1 3.6Å; L188-F213 HydrophobicContact CB-CD2 4.05Å; L188-F213 HydrophobicContact CB-CE1 4Å; L188-F213 HydrophobicContact CB-CE2 4.42Å; L188-F213 HydrophobicContact CB-CG 3.62Å; L188-F213 HydrophobicContact CB-CZ 4.39Å; L188-F213 HydrophobicContact CD1-CB 3.52Å; L188-F213 HydrophobicContact CD1-CD2 4.39Å; L188-F213 HydrophobicContact CD1-CG 3.97Å; L188-F213 HydrophobicContact CG-CB 4.34Å; L188-F213 HydrophobicContact CG-CG 4.42Å
189	A	94.4	Very high	90.6	Very high	30 Å²	30	40.6 Å²	40.6	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-43.6	174.9	0	0	0	0	0	112.4	N185 V187 N191 L192 K193 F213	N185-A189 VanDerWaalsContact O-CB 3.25Å; N185-A189 WeakPolarHBondContact O-CB 3.05Å; N185-A189 PolarHBondContact O-N 3.15Å; V187-A189 PolarHBondContact O-N 3.22Å; A189-N191 VanDerWaalsContact C-N 3.33Å; A189-N191 PolarHBondContact O-N 2.62Å; A189-L192 PolarHBondContact O-N 2.97Å; A189-K193 WeakPolarHBondContact O-CB 3.19Å; A189-K193 PolarHBondContact O-N 3.2Å; A189-F213 HydrophobicContact CB-CE1 4.5Å; A189-F213 HydrophobicContact CB-CE2 4.48Å; A189-F213 HydrophobicContact CB-CZ 3.78Å
190	D	94.6	Very high	90.7	Very high	76 Å²	76	40.3 Å²	40.3	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-41.8	175.8	-77.2	-14.2	0	0	0	112	R119 S186 V187 K193 S194	R119-D190 IonicContact NH2-OD2 2.88Å; S186-D190 WeakPolarHBondContact O-CB 3.26Å; S186-D190 VanDerWaalsContact O-CG 3.28Å; S186-D190 PolarHBondContact O-N 3.13Å; V187-D190 PolarHBondContact O-N 3.09Å; D190-K193 PolarHBondContact O-N 3.36Å; D190-S194 WeakPolarHBondContact O-CB 3.5Å; D190-S194 PolarHBondContact O-N 3.16Å; D190-S194 VanDerWaalsContact O-N 3.07Å; D190-S194 PolarHBondContact O-OG 3.15Å
191	N	95.1	Very high	91	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-45.4	178.6	-67.3	-19.8	0	0	0	111.5	V116 R119 N120 V187 L188 A189 K193 S194 N195 I198 Q201	V116-N191 HydrophobicContact CG1-CB 3.97Å; V116-N191 HydrophobicContact CG2-CB 4.28Å; R119-N191 PolarHBondContact NH1-OD1 2.91Å; R119-N191 VanDerWaalsContact NH1-OD1 3.16Å; N120-N191 PolarHBondContact OD1-ND2 2.83Å; V187-N191 WeakPolarHBondContact O-CB 3.48Å; V187-N191 PolarHBondContact O-N 3.29Å; V187-N191 PolarHBondContact O-ND2 3.34Å; V187-N191 PolarHBondContact O-OD1 3.37Å; L188-N191 PolarHBondContact O-N 2.86Å; A189-N191 VanDerWaalsContact C-N 3.33Å; A189-N191 PolarHBondContact O-N 2.62Å; N191-K193 VanDerWaalsContact C-N 3.32Å; N191-K193 PolarHBondContact O-N 3.43Å; N191-S194 PolarHBondContact O-N 3.1Å; N191-N195 WeakPolarHBondContact O-CB 3.47Å; N191-N195 PolarHBondContact O-N 2.97Å; N191-N195 PolarHBondContact O-ND2 3.31Å; N191-I198 HydrophobicContact CB-CD1 4.4Å; N191-Q201 VanDerWaalsContact CB-OE1 3.28Å; N191-Q201 PolarHBondContact ND2-OE1 3.04Å
192	L	92.6	Very high	91.7	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-39.9	177.9	-178.2	62.7	0	0	0	111.3	F156 R162 L188 A189 S194 I198 F213	F156-L192 HydrophobicContact CE2-CD1 4.49Å; F156-L192 HydrophobicContact CZ-CD1 4.07Å; F156-L192 HydrophobicContact CZ-CD2 4.41Å; R162-L192 HydrophobicContact CG-CD2 4.41Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.93Å; A189-L192 PolarHBondContact O-N 2.97Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 3.43Å; L192-I198 HydrophobicContact CD1-CB 4.11Å; L192-I198 HydrophobicContact CD1-CG2 4.02Å; L192-F213 HydrophobicContact CB-CE1 4.17Å; L192-F213 HydrophobicContact CD2-CE1 3.84Å
193	K	91.3	Very high	92.3	Very high	187 Å²	187	34.1 Å²	34.1	81%	0.813	19%	0.193	S	C	*	.	H	α-helix	trans	-65.6	-34.6	177	-173.8	178.5	178.5	-177.2	0	112.7	A189 D190 N191	A189-K193 WeakPolarHBondContact O-CB 3.19Å; A189-K193 PolarHBondContact O-N 3.2Å; D190-K193 PolarHBondContact O-N 3.36Å; N191-K193 VanDerWaalsContact C-N 3.32Å; N191-K193 PolarHBondContact O-N 3.43Å
194	S	90.9	Very high	92.8	Very high	85 Å²	85	30.5 Å²	30.5	59%	0.594	18%	0.175	S	C	*	.	H	α-helix	trans	-85.9	-19.8	-175.4	-53.5	0	0	0	0	113.3	D190 N191 L192	D190-S194 WeakPolarHBondContact O-CB 3.5Å; D190-S194 PolarHBondContact O-N 3.16Å; D190-S194 VanDerWaalsContact O-N 3.07Å; D190-S194 PolarHBondContact O-OG 3.15Å; N191-S194 PolarHBondContact O-N 3.1Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 3.43Å
195	N	90.7	Very high	93.1	Very high	17 Å²	17	30.4 Å²	30.4	9%	0.091	17%	0.174	C	C	.	.			trans	-131.9	97.6	-171.9	-61.3	-78.9	0	0	0	111.2	Y113 V116 N191 G197 I198	Y113-N195 HydrophobicContact CE1-CB 4.37Å; V116-N195 WeakPolarHBondContact CG2-ND2 3.48Å; N191-N195 WeakPolarHBondContact O-CB 3.47Å; N191-N195 PolarHBondContact O-N 2.97Å; N191-N195 PolarHBondContact O-ND2 3.31Å; N195-G197 VanDerWaalsContact C-N 3.27Å; N195-G197 PolarHBondContact O-N 3.41Å; N195-I198 HydrophobicContact CB-CD1 3.64Å; N195-I198 HydrophobicContact CB-CG1 3.75Å; N195-I198 PolarHBondContact O-N 3.23Å
196	P	81.4	Confident	93	Very high	69 Å²	69	32.2 Å²	32.2	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.9	-172.7	26.9	-35.1	0	0	0	114.5	I198	P196-I198 VanDerWaalsContact C-N 3.32Å
197	G	88.3	Confident	92.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.2	178.2	0	0	0	0	0	114.6	Y113 N195 K199 V501 N502	Y113-G197 VanDerWaalsContact OH-CA 3.31Å; Y113-G197 WeakPolarHBondContact OH-CA 3.32Å; N195-G197 VanDerWaalsContact C-N 3.27Å; N195-G197 PolarHBondContact O-N 3.41Å; G197-K199 PolarHBondContact O-N 3.1Å; G197-V501 WeakPolarHBondContact O-CA 3.26Å; G197-V501 WeakPolarHBondContact O-CG1 3.37Å; G197-N502 PolarHBondContact O-N 3.39Å
198	I	93.3	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.8	175.5	-65.3	-175.7	0	0	0	109.3	Y113 V116 N155 N191 L192 N195 P196 Q201 V499	Y113-I198 HydrophobicContact CD1-CG1 4.08Å; Y113-I198 HydrophobicContact CE1-CG1 3.67Å; V116-I198 HydrophobicContact CG1-CD1 4.08Å; V116-I198 HydrophobicContact CG2-CD1 4.22Å; N155-I198 PolarHBondContact ND2-O 3.28Å; N191-I198 HydrophobicContact CB-CD1 4.4Å; L192-I198 HydrophobicContact CD1-CB 4.11Å; L192-I198 HydrophobicContact CD1-CG2 4.02Å; N195-I198 HydrophobicContact CB-CD1 3.64Å; N195-I198 HydrophobicContact CB-CG1 3.75Å; N195-I198 PolarHBondContact O-N 3.23Å; P196-I198 VanDerWaalsContact C-N 3.32Å; I198-Q201 HydrophobicContact CG2-CG 3.69Å; I198-V499 HydrophobicContact CD1-CG1 4.15Å; I198-V499 HydrophobicContact CG1-CG1 4.01Å; I198-V499 HydrophobicContact CG2-CG1 4.21Å
199	K	92.8	Very high	92.7	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-92.7	161.8	-71.5	-82.8	-165	144.2	0	106.9	N155 F156 G197 D477 I480 D500 N502	N155-K199 WeakPolarHBondContact O-CD 3.12Å; N155-K199 WeakPolarHBondContact O-CE 3.33Å; N155-K199 PolarHBondContact O-NZ 3.46Å; F156-K199 VanDerWaalsContact CE1-C 3.41Å; F156-K199 WeakPolarHBondContact CE1-O 3.39Å; F156-K199 WeakPolarHBondContact CZ-O 3.4Å; G197-K199 PolarHBondContact O-N 3.1Å; K199-D477 PolarHBondContact NZ-O 2.71Å; K199-I480 HydrophobicContact CB-CG2 4.35Å; K199-I480 HydrophobicContact CG-CG2 3.94Å; K199-D500 HydrophobicContact CB-CB 4.26Å; K199-D500 PolarHBondContact N-O 3.03Å; K199-N502 VanDerWaalsContact CE-ND2 3.34Å; K199-N502 WeakPolarHBondContact CE-ND2 3.01Å; K199-N502 HydrophobicContact CG-CB 4.32Å
200	W	95.3	Very high	92.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.8	-173.8	-49.8	107.8	0	0	0	111.9	F156 T158 V160 V212 P214 H216 D473 M475 V499 D500	F156-W200 HydrophobicContact CB-CH2 4.28Å; F156-W200 HydrophobicContact CB-CZ2 4.4Å; F156-W200 HydrophobicContact CD1-CD2 4.03Å; F156-W200 AromaticContact CD1-CE2 3.87Å; F156-W200 AromaticContact CD1-CE3 3.86Å; F156-W200 HydrophobicContact CD1-CE3 3.86Å; F156-W200 AromaticContact CD1-CH2 3.45Å; F156-W200 HydrophobicContact CD1-CH2 3.45Å; F156-W200 VanDerWaalsContact CD1-CH2 3.45Å; F156-W200 AromaticContact CD1-CZ2 3.6Å; F156-W200 HydrophobicContact CD1-CZ2 3.6Å; F156-W200 AromaticContact CD1-CZ3 3.57Å; F156-W200 HydrophobicContact CD1-CZ3 3.57Å; F156-W200 HydrophobicContact CE1-CD2 4.02Å; F156-W200 AromaticContact CE1-CE3 3.72Å; F156-W200 HydrophobicContact CE1-CE3 3.72Å; F156-W200 HydrophobicContact CE1-CH2 4.14Å; F156-W200 HydrophobicContact CE1-CZ2 4.4Å; F156-W200 AromaticContact CE1-CZ3 3.78Å; F156-W200 HydrophobicContact CE1-CZ3 3.78Å; F156-W200 HydrophobicContact CG-CH2 4.26Å; F156-W200 HydrophobicContact CG-CZ2 4.5Å; T158-W200 HydrophobicContact CG2-CH2 3.91Å; T158-W200 HydrophobicContact CG2-CZ2 4.36Å; V160-W200 HydrophobicContact CG1-CH2 4.13Å; V160-W200 HydrophobicContact CG1-CZ3 4.3Å; W200-V212 HydrophobicContact CB-CG2 4.34Å; W200-V212 HydrophobicContact CE3-CG2 4.18Å; W200-P214 HydrophobicContact CE3-CG 4.47Å; W200-P214 HydrophobicContact CZ3-CG 4.09Å; W200-H216 HydrophobicContact CH2-CB 4.09Å; W200-H216 AromaticContact CH2-CG 3.75Å; W200-H216 AromaticContact CH2-ND1 3.64Å; W200-H216 HydrophobicContact CZ3-CB 4.18Å; W200-H216 AromaticContact CZ3-CE1 3.89Å; W200-H216 AromaticContact CZ3-CG 3.83Å; W200-H216 AromaticContact CZ3-ND1 3.3Å; W200-H216 VanDerWaalsContact CZ3-ND1 3.3Å; W200-H216 WeakPolarHBondContact CZ3-ND1 3.46Å; W200-D473 PolarHBondContact NE1-OD1 2.7Å; W200-D473 PolarHBondContact NE1-OD2 2.96Å; W200-M475 HydrophobicContact CD2-CB 4.37Å; W200-M475 HydrophobicContact CG-CE 4.24Å; W200-M475 HydrophobicContact CH2-CB 4.48Å; W200-M475 HydrophobicContact CZ2-CB 3.73Å; W200-V499 CarbonylContact O-C 3.6Å; W200-V499 WeakPolarHBondContact O-CA 3.47Å; W200-D500 HydrophobicContact CB-CB 4.09Å; W200-D500 PolarHBondContact O-N 2.79Å
201	Q	96.6	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.8	166.4	-59.5	173.6	77.1	0	0	108	N120 L188 N191 I198 V212 F213 G498 V499	N120-Q201 PolarHBondContact ND2-OE1 3Å; L188-Q201 HydrophobicContact CD2-CB 3.78Å; L188-Q201 HydrophobicContact CD2-CG 4.45Å; L188-Q201 PolarHBondContact O-NE2 3.31Å; N191-Q201 VanDerWaalsContact CB-OE1 3.28Å; N191-Q201 PolarHBondContact ND2-OE1 3.04Å; I198-Q201 HydrophobicContact CG2-CG 3.69Å; Q201-V212 CarbonylContact O-C 3.54Å; Q201-F213 PolarHBondContact N-O 2.94Å; Q201-F213 PolarHBondContact O-N 3.36Å; Q201-G498 WeakPolarHBondContact CA-O 3.42Å; Q201-V499 HydrophobicContact CG-CG1 4.34Å; Q201-V499 HydrophobicContact CG-CG2 4.25Å
202	Y	96.1	Very high	92.6	Very high	8 Å²	8	26 Å²	26	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.7	-176.7	54.4	-97.2	0	0	0	114.1	F210 T211 H226 T482 I496 V497 G498 D500	Y202-F210 HydrophobicContact CD1-CE2 4.39Å; Y202-F210 HydrophobicContact CD1-CZ 4.33Å; Y202-F210 AromaticContact CD2-CE2 3.67Å; Y202-F210 HydrophobicContact CD2-CE2 3.67Å; Y202-F210 HydrophobicContact CD2-CZ 4.4Å; Y202-F210 HydrophobicContact CE2-CE2 4.31Å; Y202-F210 AromaticContact CG-CE2 3.7Å; Y202-F210 HydrophobicContact CG-CE2 3.7Å; Y202-F210 AromaticContact CG-CZ 4Å; Y202-F210 HydrophobicContact CG-CZ 4Å; Y202-T211 CarbonylContact C-O 3.53Å; Y202-T211 WeakPolarHBondContact CA-O 3.3Å; Y202-T211 WeakPolarHBondContact CB-O 3.47Å; Y202-H226 AromaticContact CE2-CE1 3.7Å; Y202-T482 WeakPolarHBondContact OH-CG2 3.19Å; Y202-I496 HydrophobicContact CE2-CD1 4.45Å; Y202-V497 WeakPolarHBondContact O-CA 3.3Å; Y202-G498 PolarHBondContact N-O 3.22Å; Y202-G498 PolarHBondContact O-N 2.94Å; Y202-D500 WeakPolarHBondContact CE1-OD1 3.22Å
203	F	96.8	Very high	92.8	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.3	165	170.5	-113.1	0	0	0	108.4	V124 F178 P180 L184 T211 I496 V497	V124-F203 HydrophobicContact CG1-CD2 3.95Å; V124-F203 HydrophobicContact CG1-CE2 3.57Å; V124-F203 HydrophobicContact CG1-CZ 3.96Å; V124-F203 HydrophobicContact CG2-CD2 4.01Å; V124-F203 HydrophobicContact CG2-CE2 4.48Å; V124-F203 HydrophobicContact CG2-CG 4.26Å; F178-F203 HydrophobicContact CD1-CE1 4.28Å; F178-F203 HydrophobicContact CD1-CZ 4.22Å; F178-F203 HydrophobicContact CE1-CE1 4.16Å; F178-F203 HydrophobicContact CE1-CZ 4.03Å; P180-F203 HydrophobicContact CG-CD1 3.61Å; P180-F203 HydrophobicContact CG-CE1 3.74Å; P180-F203 HydrophobicContact CG-CG 4.33Å; L184-F203 HydrophobicContact CD1-CB 4.1Å; F203-T211 PolarHBondContact N-O 2.84Å; F203-T211 PolarHBondContact O-N 3.44Å; F203-I496 WeakPolarHBondContact CA-O 3.39Å; F203-I496 VanDerWaalsContact CD2-O 3.29Å; F203-I496 WeakPolarHBondContact CD2-O 3.47Å; F203-V497 HydrophobicContact CB-CG1 4.43Å; F203-V497 HydrophobicContact CD2-CG1 4.01Å
204	S	95.5	Very high	92.9	Very high	2 Å²	2	16 Å²	16	1%	0.014	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.3	175.5	-175.1	0	0	0	0	108.7	H226 Y232 G495 I496	S204-H226 VanDerWaalsContact CB-ND1 3.28Å; S204-H226 WeakPolarHBondContact CB-ND1 3.14Å; S204-H226 PolarHBondContact OG-ND1 3.29Å; S204-Y232 WeakPolarHBondContact OG-CD2 3.37Å; S204-Y232 WeakPolarHBondContact OG-CE2 3.48Å; S204-G495 CarbonylContact O-C 3.34Å; S204-G495 WeakPolarHBondContact O-CA 3.5Å; S204-I496 PolarHBondContact N-O 3.03Å; S204-I496 PolarHBondContact O-N 2.76Å
205	S	94.4	Very high	93	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.014	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	147.2	179.6	175.7	0	0	0	0	112	E207 G208 I209 L494	S205-E207 PolarHBondContact O-N 3.29Å; S205-E207 PolarHBondContact OG-N 3.26Å; S205-E207 VanDerWaalsContact OG-N 3.1Å; S205-G208 PolarHBondContact O-N 2.91Å; S205-G208 VanDerWaalsContact O-N 3.16Å; S205-I209 WeakPolarHBondContact CB-O 3.29Å; S205-I209 PolarHBondContact N-O 3.44Å; S205-L494 WeakPolarHBondContact CA-O 3.25Å
206	E	91.7	Very high	93.1	Very high	64 Å²	64	11.2 Å²	11.2	30%	0.299	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.3	169.6	-171.1	-81.2	163	0	0	111.7	G208 R227 Y232 R452 L493 L494	E206-G208 VanDerWaalsContact C-N 3.27Å; E206-G208 PolarHBondContact O-N 3.04Å; E206-R227 VanDerWaalsContact O-CD 3.29Å; E206-R227 WeakPolarHBondContact O-CD 3.47Å; E206-R227 PolarHBondContact O-NH1 3.13Å; E206-Y232 WeakPolarHBondContact CA-OH 3.46Å; E206-R452 IonicContact OE1-CZ 2.61Å; E206-R452 IonicContact OE1-NH2 2.9Å; E206-R452 PolarHBondContact OE1-NH2 3.21Å; E206-L493 HydrophobicContact CG-CD2 4.43Å; E206-L494 PolarHBondContact N-O 3.37Å
207	E	90.8	Very high	93.1	Very high	68 Å²	68	15.7 Å²	15.7	32%	0.318	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.8	178.3	-62.6	-173.5	106.3	0	0	113.4	A177 F178 S205	A177-E207 WeakPolarHBondContact CA-OE2 3.3Å; A177-E207 HydrophobicContact CB-CB 4.02Å; A177-E207 HydrophobicContact CB-CG 4.5Å; A177-E207 VanDerWaalsContact CB-OE2 3.28Å; A177-E207 WeakPolarHBondContact CB-OE2 3.41Å; F178-E207 PolarHBondContact N-OE2 3.45Å; S205-E207 PolarHBondContact O-N 3.29Å; S205-E207 PolarHBondContact OG-N 3.26Å; S205-E207 VanDerWaalsContact OG-N 3.1Å
208	G	90.7	Very high	92.6	Very high	5 Å²	5	16.8 Å²	16.8	5%	0.052	8%	0.077	C	C	.	.	S	Bend	trans	100.3	20.3	173.1	0	0	0	0	0	116.1	S170 V173 S205 E206 R227	S170-G208 WeakPolarHBondContact CB-O 3.28Å; S170-G208 PolarHBondContact N-O 3.03Å; V173-G208 VanDerWaalsContact CG2-O 3.23Å; V173-G208 WeakPolarHBondContact CG2-O 3.02Å; S205-G208 PolarHBondContact O-N 2.91Å; S205-G208 VanDerWaalsContact O-N 3.16Å; E206-G208 VanDerWaalsContact C-N 3.27Å; E206-G208 PolarHBondContact O-N 3.04Å; G208-R227 VanDerWaalsContact CA-CZ 3.42Å
209	I	92.8	Very high	91.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.8	168.4	-57.4	-179.5	0	0	0	108.6	D167 L169 V173 A177 N179 S205	D167-I209 HydrophobicContact CB-CG2 4.41Å; L169-I209 HydrophobicContact CD2-CB 4.46Å; L169-I209 HydrophobicContact CD2-CG1 4Å; L169-I209 HydrophobicContact CD2-CG2 4.22Å; V173-I209 HydrophobicContact CG1-CD1 4.05Å; V173-I209 HydrophobicContact CG1-CG1 3.7Å; V173-I209 HydrophobicContact CG2-CG1 4.32Å; A177-I209 HydrophobicContact CB-CD1 3.75Å; A177-I209 HydrophobicContact CB-CG1 4.45Å; N179-I209 HydrophobicContact CB-CD1 3.93Å; S205-I209 WeakPolarHBondContact CB-O 3.29Å; S205-I209 PolarHBondContact N-O 3.44Å
210	F	94	Very high	91	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	106.4	172.6	177.9	-105.3	0	0	0	109.7	D167 R168 Y202 V212 F218 Y224 H226 M475	D167-F210 CarbonylContact C-O 3.46Å; D167-F210 VanDerWaalsContact CA-O 3.31Å; D167-F210 WeakPolarHBondContact CA-O 3.39Å; R168-F210 HydrophobicContact CB-CB 4.5Å; R168-F210 HydrophobicContact CB-CD1 4.43Å; R168-F210 PolarHBondContact N-O 3Å; R168-F210 PolarHBondContact O-N 3.41Å; Y202-F210 HydrophobicContact CD1-CE2 4.39Å; Y202-F210 HydrophobicContact CD1-CZ 4.33Å; Y202-F210 AromaticContact CD2-CE2 3.67Å; Y202-F210 HydrophobicContact CD2-CE2 3.67Å; Y202-F210 HydrophobicContact CD2-CZ 4.4Å; Y202-F210 HydrophobicContact CE2-CE2 4.31Å; Y202-F210 AromaticContact CG-CE2 3.7Å; Y202-F210 HydrophobicContact CG-CE2 3.7Å; Y202-F210 AromaticContact CG-CZ 4Å; Y202-F210 HydrophobicContact CG-CZ 4Å; F210-V212 HydrophobicContact CD1-CB 4.46Å; F210-V212 HydrophobicContact CE1-CB 3.79Å; F210-V212 HydrophobicContact CE1-CG1 4.17Å; F210-V212 HydrophobicContact CE1-CG2 4.42Å; F210-V212 HydrophobicContact CZ-CB 4.19Å; F210-F218 HydrophobicContact CE1-CE2 4.42Å; F210-Y224 HydrophobicContact CB-CD1 4.13Å; F210-Y224 HydrophobicContact CB-CE1 4.05Å; F210-Y224 HydrophobicContact CD1-CD1 4.03Å; F210-Y224 AromaticContact CD1-CE1 3.42Å; F210-Y224 HydrophobicContact CD1-CE1 3.42Å; F210-Y224 VanDerWaalsContact CD1-CE1 3.42Å; F210-Y224 HydrophobicContact CD2-CE1 4.3Å; F210-Y224 AromaticContact CE1-CE1 3.84Å; F210-Y224 HydrophobicContact CE1-CE1 3.84Å; F210-Y224 HydrophobicContact CG-CD1 4.22Å; F210-Y224 AromaticContact CG-CE1 3.66Å; F210-Y224 HydrophobicContact CG-CE1 3.66Å; F210-Y224 HydrophobicContact CZ-CE1 4.44Å; F210-H226 HydrophobicContact CB-CB 4.2Å; F210-H226 HydrophobicContact CD2-CB 3.68Å; F210-H226 AromaticContact CD2-CD2 3.74Å; F210-H226 AromaticContact CD2-CG 3.42Å; F210-H226 VanDerWaalsContact CD2-CG 3.42Å; F210-H226 AromaticContact CD2-ND1 3.75Å; F210-H226 HydrophobicContact CE2-CB 4.3Å; F210-H226 AromaticContact CE2-CD2 3.42Å; F210-H226 VanDerWaalsContact CE2-CD2 3.42Å; F210-H226 WeakPolarHBondContact CE2-CD2 3.42Å; F210-H226 AromaticContact CE2-CE1 3.83Å; F210-H226 AromaticContact CE2-CG 3.59Å; F210-H226 AromaticContact CE2-ND1 3.83Å; F210-H226 AromaticContact CE2-NE2 3.6Å; F210-H226 HydrophobicContact CG-CB 4.08Å; F210-M475 HydrophobicContact CE1-SD 4.4Å; F210-M475 HydrophobicContact CZ-CE 4.49Å; F210-M475 HydrophobicContact CZ-SD 4.5Å
211	T	94.7	Very high	90	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126	176.5	-57.5	0	0	0	0	109.5	C166 D167 N179 Y202 F203	C166-T211 CarbonylContact O-C 3.57Å; C166-T211 WeakPolarHBondContact O-CA 3.04Å; D167-T211 VanDerWaalsContact OD1-CB 3.32Å; D167-T211 WeakPolarHBondContact OD1-CB 3.36Å; D167-T211 WeakPolarHBondContact OD1-CG2 3.28Å; D167-T211 PolarHBondContact OD1-OG1 3.09Å; N179-T211 PolarHBondContact OD1-OG1 2.67Å; Y202-T211 CarbonylContact C-O 3.53Å; Y202-T211 WeakPolarHBondContact CA-O 3.3Å; Y202-T211 WeakPolarHBondContact CB-O 3.47Å; F203-T211 PolarHBondContact N-O 2.84Å; F203-T211 PolarHBondContact O-N 3.44Å
212	V	94.9	Very high	88.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.9	179.1	64.6	0	0	0	0	111.9	S165 C166 W200 Q201 F210 M475	S165-V212 VanDerWaalsContact CA-O 3.29Å; S165-V212 WeakPolarHBondContact CA-O 3.16Å; S165-V212 WeakPolarHBondContact CB-O 3.36Å; C166-V212 PolarHBondContact N-O 2.96Å; C166-V212 PolarHBondContact O-N 3.26Å; W200-V212 HydrophobicContact CB-CG2 4.34Å; W200-V212 HydrophobicContact CE3-CG2 4.18Å; Q201-V212 CarbonylContact O-C 3.54Å; F210-V212 HydrophobicContact CD1-CB 4.46Å; F210-V212 HydrophobicContact CE1-CB 3.79Å; F210-V212 HydrophobicContact CE1-CG1 4.17Å; F210-V212 HydrophobicContact CE1-CG2 4.42Å; F210-V212 HydrophobicContact CZ-CB 4.19Å; V212-M475 HydrophobicContact CG2-SD 4.15Å
213	F	95.1	Very high	87.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.2	176.5	-178.6	-86.3	0	0	0	110.9	R162 L188 A189 L192 Q201	R162-F213 VanDerWaalsContact O-CZ 3.28Å; R162-F213 WeakPolarHBondContact O-CZ 3.19Å; L188-F213 HydrophobicContact CB-CB 4.06Å; L188-F213 HydrophobicContact CB-CD1 3.6Å; L188-F213 HydrophobicContact CB-CD2 4.05Å; L188-F213 HydrophobicContact CB-CE1 4Å; L188-F213 HydrophobicContact CB-CE2 4.42Å; L188-F213 HydrophobicContact CB-CG 3.62Å; L188-F213 HydrophobicContact CB-CZ 4.39Å; L188-F213 HydrophobicContact CD1-CB 3.52Å; L188-F213 HydrophobicContact CD1-CD2 4.39Å; L188-F213 HydrophobicContact CD1-CG 3.97Å; L188-F213 HydrophobicContact CG-CB 4.34Å; L188-F213 HydrophobicContact CG-CG 4.42Å; A189-F213 HydrophobicContact CB-CE1 4.5Å; A189-F213 HydrophobicContact CB-CE2 4.48Å; A189-F213 HydrophobicContact CB-CZ 3.78Å; L192-F213 HydrophobicContact CB-CE1 4.17Å; L192-F213 HydrophobicContact CD2-CE1 3.84Å; Q201-F213 PolarHBondContact N-O 2.94Å; Q201-F213 PolarHBondContact O-N 3.36Å
214	P	94.7	Very high	86.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	S	Bend	cis	-66.3	155.7	-7.7	29.3	-35.4	0	0	0	111.9	F156 V160 S161 W200 H216	F156-P214 HydrophobicContact CD1-CG 4.32Å; F156-P214 HydrophobicContact CE1-CG 3.64Å; F156-P214 HydrophobicContact CE2-CG 4.14Å; F156-P214 HydrophobicContact CZ-CG 3.57Å; V160-P214 HydrophobicContact CB-CB 4.03Å; V160-P214 HydrophobicContact CB-CG 3.82Å; V160-P214 HydrophobicContact CG1-CG 4.08Å; V160-P214 HydrophobicContact CG2-CB 4.43Å; V160-P214 HydrophobicContact CG2-CG 4.14Å; S161-P214 WeakPolarHBondContact O-CB 3.31Å; W200-P214 HydrophobicContact CE3-CG 4.47Å; W200-P214 HydrophobicContact CZ3-CG 4.09Å; P214-H216 PolarHBondContact O-N 2.94Å
215	A	93.6	Very high	86.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.9	176.4	0	0	0	0	0	110.8	I145 V160 S161 V164 C166	I145-A215 HydrophobicContact CD1-CB 3.5Å; V160-A215 CarbonylContact C-O 3.56Å; V160-A215 VanDerWaalsContact CA-O 3.25Å; V160-A215 WeakPolarHBondContact CA-O 3.38Å; S161-A215 PolarHBondContact N-O 3.05Å; S161-A215 PolarHBondContact O-N 3.39Å; V164-A215 HydrophobicContact CG2-CB 4.15Å; V164-A215 WeakPolarHBondContact O-CB 3.01Å; V164-A215 PolarHBondContact O-N 3.49Å; C166-A215 HydrophobicContact CB-CB 3.7Å
216	H	90.9	Very high	86.4	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	168.5	-178.3	67.1	-84.6	0	0	0	110.9	T158 V160 W200 P214 F218	T158-H216 HydrophobicContact CG2-CB 4.39Å; V160-H216 HydrophobicContact CG1-CB 4.07Å; W200-H216 HydrophobicContact CH2-CB 4.09Å; W200-H216 AromaticContact CH2-CG 3.75Å; W200-H216 AromaticContact CH2-ND1 3.64Å; W200-H216 HydrophobicContact CZ3-CB 4.18Å; W200-H216 AromaticContact CZ3-CE1 3.89Å; W200-H216 AromaticContact CZ3-CG 3.83Å; W200-H216 AromaticContact CZ3-ND1 3.3Å; W200-H216 VanDerWaalsContact CZ3-ND1 3.3Å; W200-H216 WeakPolarHBondContact CZ3-ND1 3.46Å; P214-H216 PolarHBondContact O-N 2.94Å; H216-F218 AromaticContact CE1-CD2 3.78Å; H216-F218 AromaticContact NE2-CD2 3.32Å; H216-F218 VanDerWaalsContact NE2-CD2 3.32Å; H216-F218 WeakPolarHBondContact NE2-CD2 3.38Å; H216-F218 AromaticContact NE2-CE2 3.72Å; H216-F218 PolarHBondContact O-N 2.77Å
217	K	81.5	Confident	86.5	Confident	163 Å²	163	44 Å²	44	71%	0.709	22%	0.218	S	C	*	.			trans	-75.7	96.4	178.6	-168.3	177.1	-177.7	179.2	0	110.8	M150	M150-K217 HydrophobicContact SD-CB 4.39Å
218	F	78.6	Confident	86.5	Confident	23 Å²	23	40.9 Å²	40.9	10%	0.101	20%	0.204	C	C	.	.			trans	-67.4	159.5	176.7	-138.7	-92.8	0	0	0	112.3	C142 R168 F210 H216 C220 Y224 M475	C142-F218 HydrophobicContact CB-CB 4.01Å; R168-F218 HydrophobicContact CG-CD1 3.97Å; R168-F218 HydrophobicContact CG-CD2 4.06Å; R168-F218 HydrophobicContact CG-CE1 4.2Å; R168-F218 HydrophobicContact CG-CE2 4.28Å; R168-F218 HydrophobicContact CG-CG 3.91Å; R168-F218 HydrophobicContact CG-CZ 4.35Å; F210-F218 HydrophobicContact CE1-CE2 4.42Å; H216-F218 AromaticContact CE1-CD2 3.78Å; H216-F218 AromaticContact NE2-CD2 3.32Å; H216-F218 VanDerWaalsContact NE2-CD2 3.32Å; H216-F218 WeakPolarHBondContact NE2-CD2 3.38Å; H216-F218 AromaticContact NE2-CE2 3.72Å; H216-F218 PolarHBondContact O-N 2.77Å; F218-C220 PolarHBondContact O-N 3.36Å; F218-C220 PolarHBondContact O-SG 2.81Å; F218-Y224 AromaticContact CE1-CD2 3.52Å; F218-Y224 HydrophobicContact CE1-CD2 3.52Å; F218-Y224 AromaticContact CE1-CE2 3.6Å; F218-Y224 HydrophobicContact CE1-CE2 3.6Å; F218-Y224 HydrophobicContact CE1-CG 4.04Å; F218-Y224 HydrophobicContact CZ-CD1 4.46Å; F218-Y224 AromaticContact CZ-CD2 3.86Å; F218-Y224 HydrophobicContact CZ-CD2 3.86Å; F218-Y224 HydrophobicContact CZ-CE1 4.13Å; F218-Y224 AromaticContact CZ-CE2 3.49Å; F218-Y224 HydrophobicContact CZ-CE2 3.49Å; F218-Y224 VanDerWaalsContact CZ-CE2 3.49Å; F218-Y224 HydrophobicContact CZ-CG 4.33Å; F218-Y224 AromaticContact CZ-CZ 3.64Å; F218-M475 HydrophobicContact CE2-CG 4.01Å; F218-M475 HydrophobicContact CE2-SD 3.95Å; F218-M475 HydrophobicContact CZ-CG 4.45Å
219	R	78.4	Confident	86.5	Confident	220 Å²	220	44.2 Å²	44.2	83%	0.83	22%	0.215	S	C	*	.			trans	-72.6	89.8	168.1	-67.9	-176.9	-174.1	177.3	4.3	109.8	K221	R219-K221 PolarHBondContact O-N 3.17Å
220	C	74.9	Confident	86.5	Confident	61 Å²	61	46 Å²	46	41%	0.412	23%	0.227	S	C	.	.			trans	-73.2	14.1	-169.8	-64.7	0	0	0	0	117	C143 F218	C143-C220 WeakPolarHBondContact CA-SG 3.36Å; C143-C220 HydrophobicContact CB-CB 3.9Å; C143-C220 WeakPolarHBondContact CB-SG 3.34Å; C143-C220 VanDerWaalsContact SG-CA 3.57Å; C143-C220 WeakPolarHBondContact SG-CB 3.43Å; C143-C220 CovalentContact SG-SG 2.02Å; C143-C220 PolarHBondContact SG-SG 3.29Å; F218-C220 PolarHBondContact O-N 3.36Å; F218-C220 PolarHBondContact O-SG 2.81Å
221	K	72.7	Confident	86.5	Confident	209 Å²	209	46.6 Å²	46.6	91%	0.909	23%	0.23	S	C	*	.	S	Bend	trans	-91.8	111.3	177.2	-68.9	-174.5	179.4	-179.4	0	109.2	R219	R219-K221 PolarHBondContact O-N 3.17Å
222	G	69.8	Low	86.4	Confident	58 Å²	58	46.6 Å²	46.6	60%	0.598	23%	0.23	S	C	*	.	S	Bend	trans	93.4	177.8	175.5	0	0	0	0	0	115	R168	R168-G222 PolarHBondContact NH2-O 2.95Å
223	S	72.3	Confident	86.3	Confident	59 Å²	59	46.7 Å²	46.7	41%	0.413	23%	0.231	S	C	.	.			trans	-72.3	155.5	170.3	50.3	0	0	0	0	110.9
224	Y	83.3	Confident	86.2	Confident	29 Å²	29	47 Å²	47	11%	0.114	23%	0.233	C	C	.	.			trans	-120.9	121.4	175.9	-177.6	-103.4	0	0	0	109.6	R168 L169 F210 F218 H226	R168-Y224 HydrophobicContact CB-CD1 3.79Å; R168-Y224 HydrophobicContact CB-CG 4.15Å; R168-Y224 HydrophobicContact CG-CD1 4.49Å; L169-Y224 PolarHBondContact O-N 2.68Å; F210-Y224 HydrophobicContact CB-CD1 4.13Å; F210-Y224 HydrophobicContact CB-CE1 4.05Å; F210-Y224 HydrophobicContact CD1-CD1 4.03Å; F210-Y224 AromaticContact CD1-CE1 3.42Å; F210-Y224 HydrophobicContact CD1-CE1 3.42Å; F210-Y224 VanDerWaalsContact CD1-CE1 3.42Å; F210-Y224 HydrophobicContact CD2-CE1 4.3Å; F210-Y224 AromaticContact CE1-CE1 3.84Å; F210-Y224 HydrophobicContact CE1-CE1 3.84Å; F210-Y224 HydrophobicContact CG-CD1 4.22Å; F210-Y224 AromaticContact CG-CE1 3.66Å; F210-Y224 HydrophobicContact CG-CE1 3.66Å; F210-Y224 HydrophobicContact CZ-CE1 4.44Å; F218-Y224 AromaticContact CE1-CD2 3.52Å; F218-Y224 HydrophobicContact CE1-CD2 3.52Å; F218-Y224 AromaticContact CE1-CE2 3.6Å; F218-Y224 HydrophobicContact CE1-CE2 3.6Å; F218-Y224 HydrophobicContact CE1-CG 4.04Å; F218-Y224 HydrophobicContact CZ-CD1 4.46Å; F218-Y224 AromaticContact CZ-CD2 3.86Å; F218-Y224 HydrophobicContact CZ-CD2 3.86Å; F218-Y224 HydrophobicContact CZ-CE1 4.13Å; F218-Y224 AromaticContact CZ-CE2 3.49Å; F218-Y224 HydrophobicContact CZ-CE2 3.49Å; F218-Y224 VanDerWaalsContact CZ-CE2 3.49Å; F218-Y224 HydrophobicContact CZ-CG 4.33Å; F218-Y224 AromaticContact CZ-CZ 3.64Å; Y224-H226 HydrophobicContact CD1-CB 4.44Å; Y224-H226 HydrophobicContact CE1-CB 3.79Å
225	E	88.6	Confident	86.1	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.033	23%	0.233	C	C	.	.			trans	-113.3	105.1	177.1	-172.7	53.4	-102	0	0	110.3	S170 R227 S228 E447 T448	S170-E225 VanDerWaalsContact CB-OE2 3.26Å; S170-E225 WeakPolarHBondContact CB-OE2 3.21Å; S170-E225 PolarHBondContact OG-OE2 3.16Å; E225-R227 WeakPolarHBondContact OE1-CB 3.43Å; E225-R227 WeakPolarHBondContact OE1-CG 3.41Å; E225-R227 IonicContact OE1-CZ 3.83Å; E225-R227 PolarHBondContact OE1-N 3.28Å; E225-R227 IonicContact OE1-NE 2.97Å; E225-R227 PolarHBondContact OE1-NE 3.44Å; E225-R227 IonicContact OE1-NH2 2.61Å; E225-R227 PolarHBondContact OE1-NH2 3.42Å; E225-R227 IonicContact OE2-CZ 2.86Å; E225-R227 IonicContact OE2-NE 3.72Å; E225-R227 IonicContact OE2-NH2 3.5Å; E225-R227 PolarHBondContact OE2-NH2 2.89Å; E225-S228 PolarHBondContact O-OG 2.84Å; E225-E447 HydrophobicContact CB-CB 3.79Å; E225-E447 WeakPolarHBondContact CB-OE2 3.47Å; E225-E447 HydrophobicContact CG-CB 3.9Å; E225-T448 WeakPolarHBondContact OE2-CG2 3.34Å
226	H	91.5	Very high	86	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.046	23%	0.234	C	C	.	.	S	Bend	trans	-84.2	-25	176.8	-170.6	-101.5	0	0	0	112.3	Y202 S204 F210 Y224 S228 R229 Y232	Y202-H226 AromaticContact CE2-CE1 3.7Å; S204-H226 VanDerWaalsContact CB-ND1 3.28Å; S204-H226 WeakPolarHBondContact CB-ND1 3.14Å; S204-H226 PolarHBondContact OG-ND1 3.29Å; F210-H226 HydrophobicContact CB-CB 4.2Å; F210-H226 HydrophobicContact CD2-CB 3.68Å; F210-H226 AromaticContact CD2-CD2 3.74Å; F210-H226 AromaticContact CD2-CG 3.42Å; F210-H226 VanDerWaalsContact CD2-CG 3.42Å; F210-H226 AromaticContact CD2-ND1 3.75Å; F210-H226 HydrophobicContact CE2-CB 4.3Å; F210-H226 AromaticContact CE2-CD2 3.42Å; F210-H226 VanDerWaalsContact CE2-CD2 3.42Å; F210-H226 WeakPolarHBondContact CE2-CD2 3.42Å; F210-H226 AromaticContact CE2-CE1 3.83Å; F210-H226 AromaticContact CE2-CG 3.59Å; F210-H226 AromaticContact CE2-ND1 3.83Å; F210-H226 AromaticContact CE2-NE2 3.6Å; F210-H226 HydrophobicContact CG-CB 4.08Å; Y224-H226 HydrophobicContact CD1-CB 4.44Å; Y224-H226 HydrophobicContact CE1-CB 3.79Å; H226-S228 PolarHBondContact O-N 3.14Å; H226-R229 VanDerWaalsContact O-CB 3.31Å; H226-R229 WeakPolarHBondContact O-CB 3.17Å; H226-R229 WeakPolarHBondContact O-CG 3.33Å; H226-R229 PolarHBondContact O-N 3.43Å; H226-Y232 AromaticContact ND1-CD2 3.98Å
227	R	92.1	Very high	86	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.011	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.5	-175.1	-60.9	170.9	-68.1	-174.1	-3.6	112.9	S170 T172 E206 G208 E225 R229 Y232 Y454	S170-R227 PolarHBondContact OG-NH2 3.05Å; S170-R227 VanDerWaalsContact OG-NH2 3.13Å; T172-R227 PolarHBondContact OG1-NH2 2.89Å; E206-R227 VanDerWaalsContact O-CD 3.29Å; E206-R227 WeakPolarHBondContact O-CD 3.47Å; E206-R227 PolarHBondContact O-NH1 3.13Å; G208-R227 VanDerWaalsContact CA-CZ 3.42Å; E225-R227 WeakPolarHBondContact OE1-CB 3.43Å; E225-R227 WeakPolarHBondContact OE1-CG 3.41Å; E225-R227 IonicContact OE1-CZ 3.83Å; E225-R227 PolarHBondContact OE1-N 3.28Å; E225-R227 IonicContact OE1-NE 2.97Å; E225-R227 PolarHBondContact OE1-NE 3.44Å; E225-R227 IonicContact OE1-NH2 2.61Å; E225-R227 PolarHBondContact OE1-NH2 3.42Å; E225-R227 IonicContact OE2-CZ 2.86Å; E225-R227 IonicContact OE2-NE 3.72Å; E225-R227 IonicContact OE2-NH2 3.5Å; E225-R227 PolarHBondContact OE2-NH2 2.89Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-Y232 HydrophobicContact CB-CD1 4.22Å; R227-Y232 HydrophobicContact CB-CE1 4.28Å; R227-Y232 HydrophobicContact CB-CG 4.37Å; R227-Y232 HydrophobicContact CG-CD2 4.25Å; R227-Y232 HydrophobicContact CG-CE1 4.29Å; R227-Y232 HydrophobicContact CG-CE2 3.9Å; R227-Y454 WeakPolarHBondContact O-CE1 3.37Å; R227-Y454 PolarHBondContact O-OH 3.24Å
228	S	90.9	Very high	86.2	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.028	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4	174.4	60.1	0	0	0	0	113.3	E225 H226 A271	E225-S228 PolarHBondContact O-OG 2.84Å; H226-S228 PolarHBondContact O-N 3.14Å; S228-A271 WeakPolarHBondContact O-CA 3.48Å; S228-A271 WeakPolarHBondContact O-CB 3.48Å
229	R	91.5	Very high	86.6	Confident	74 Å²	74	42.3 Å²	42.3	28%	0.279	22%	0.217	S	C	.	.	S	Bend	trans	-79.5	147.2	-178	-61.6	-62.1	-170.9	139.3	10.9	111.3	H226 R227 I231 Y232 V233 E474	H226-R229 VanDerWaalsContact O-CB 3.31Å; H226-R229 WeakPolarHBondContact O-CB 3.17Å; H226-R229 WeakPolarHBondContact O-CG 3.33Å; H226-R229 PolarHBondContact O-N 3.43Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R229-I231 HydrophobicContact CB-CG2 4.17Å; R229-I231 PolarHBondContact O-N 3.23Å; R229-I231 VanDerWaalsContact O-N 3.11Å; R229-Y232 PolarHBondContact O-N 2.9Å; R229-V233 PolarHBondContact O-N 2.78Å; R229-V233 VanDerWaalsContact O-N 3.17Å; R229-E474 IonicContact CZ-OE1 3.08Å; R229-E474 IonicContact CZ-OE2 3.71Å; R229-E474 IonicContact NH1-OE1 3.39Å; R229-E474 PolarHBondContact NH1-OE1 2.74Å; R229-E474 IonicContact NH1-OE2 2.74Å; R229-E474 PolarHBondContact NH1-OE2 2.79Å; R229-E474 IonicContact NH2-OE1 3.55Å; R229-E474 IonicContact NH2-OE2 2.61Å; R229-E474 PolarHBondContact NH2-OE2 3.49Å
230	P	92.1	Very high	87.1	Confident	38 Å²	38	32.7 Å²	32.7	25%	0.247	18%	0.184	C	C	.	.	H	α-helix	trans	-52.6	-39.8	-178.2	-27.7	35.5	0	0	0	113.2	Y232 V233 S234 S270 A271 D273	P230-Y232 VanDerWaalsContact C-N 3.34Å; P230-Y232 PolarHBondContact O-N 3.06Å; P230-V233 PolarHBondContact O-N 3.02Å; P230-S234 WeakPolarHBondContact O-CB 3.09Å; P230-S234 PolarHBondContact O-N 3.2Å; P230-S234 PolarHBondContact O-OG 3.49Å; P230-S234 VanDerWaalsContact O-OG 3.07Å; P230-S270 VanDerWaalsContact CD-O 3.26Å; P230-S270 WeakPolarHBondContact CD-O 3.47Å; P230-S270 WeakPolarHBondContact CG-O 3.08Å; P230-A271 WeakPolarHBondContact CA-O 3.34Å; P230-D273 HydrophobicContact CB-CB 4.15Å
231	I	93.9	Very high	87.8	Confident	17 Å²	17	29.9 Å²	29.9	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-40	178.8	-169	55.2	0	0	0	113	R229 S234 T235 T482 S484	R229-I231 HydrophobicContact CB-CG2 4.17Å; R229-I231 PolarHBondContact O-N 3.23Å; R229-I231 VanDerWaalsContact O-N 3.11Å; I231-S234 PolarHBondContact O-OG 2.78Å; I231-T235 VanDerWaalsContact O-CB 3.29Å; I231-T235 WeakPolarHBondContact O-CB 3.36Å; I231-T235 PolarHBondContact O-N 2.97Å; I231-T235 PolarHBondContact O-OG1 3.31Å; I231-T482 HydrophobicContact CD1-CG2 3.72Å; I231-T482 HydrophobicContact CG1-CG2 3.73Å; I231-S484 WeakPolarHBondContact CD1-OG 3.37Å
232	Y	94.3	Very high	88.8	Confident	1 Å²	1	20.4 Å²	20.4	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-67.7	-46.3	176.9	-168.3	-75.7	0	0	0	110.4	S204 E206 H226 R227 R229 P230 T235 V236 Y454 I496	S204-Y232 WeakPolarHBondContact OG-CD2 3.37Å; S204-Y232 WeakPolarHBondContact OG-CE2 3.48Å; E206-Y232 WeakPolarHBondContact CA-OH 3.46Å; H226-Y232 AromaticContact ND1-CD2 3.98Å; R227-Y232 HydrophobicContact CB-CD1 4.22Å; R227-Y232 HydrophobicContact CB-CE1 4.28Å; R227-Y232 HydrophobicContact CB-CG 4.37Å; R227-Y232 HydrophobicContact CG-CD2 4.25Å; R227-Y232 HydrophobicContact CG-CE1 4.29Å; R227-Y232 HydrophobicContact CG-CE2 3.9Å; R229-Y232 PolarHBondContact O-N 2.9Å; P230-Y232 VanDerWaalsContact C-N 3.34Å; P230-Y232 PolarHBondContact O-N 3.06Å; Y232-T235 PolarHBondContact O-N 3.23Å; Y232-V236 HydrophobicContact CD1-CG2 3.97Å; Y232-V236 HydrophobicContact CE1-CB 4.49Å; Y232-V236 HydrophobicContact CE1-CG2 3.56Å; Y232-V236 WeakPolarHBondContact O-CG2 3.38Å; Y232-V236 PolarHBondContact O-N 3.15Å; Y232-Y454 HydrophobicContact CD1-CE2 4.29Å; Y232-Y454 AromaticContact CD1-CZ 3.82Å; Y232-Y454 VanDerWaalsContact CD1-OH 3.3Å; Y232-Y454 WeakPolarHBondContact CD1-OH 3.24Å; Y232-Y454 HydrophobicContact CE1-CE2 4.06Å; Y232-Y454 AromaticContact CE1-CZ 3.8Å; Y232-Y454 WeakPolarHBondContact CE1-OH 3.35Å; Y232-I496 HydrophobicContact CD2-CD1 3.76Å; Y232-I496 HydrophobicContact CD2-CG1 3.61Å; Y232-I496 HydrophobicContact CD2-CG2 4.34Å; Y232-I496 HydrophobicContact CE2-CD1 4.48Å; Y232-I496 HydrophobicContact CE2-CG1 3.85Å; Y232-I496 HydrophobicContact CE2-CG2 4.16Å; Y232-I496 HydrophobicContact CG-CD1 4.22Å; Y232-I496 HydrophobicContact CG-CG1 4.46Å
233	V	92.7	Very high	90	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-46.8	-178.5	-178.6	0	0	0	0	111.1	R229 P230 V236 R237 A271 Y454	R229-V233 PolarHBondContact O-N 2.78Å; R229-V233 VanDerWaalsContact O-N 3.17Å; P230-V233 PolarHBondContact O-N 3.02Å; V233-V236 PolarHBondContact O-N 3.01Å; V233-R237 CarbonylContact O-C 3.58Å; V233-R237 WeakPolarHBondContact O-CA 3.45Å; V233-R237 WeakPolarHBondContact O-CB 3.37Å; V233-R237 PolarHBondContact O-N 3.29Å; V233-A271 HydrophobicContact CG2-CB 4.47Å; V233-A271 WeakPolarHBondContact CG2-O 3.49Å; V233-Y454 HydrophobicContact CB-CD1 4.34Å; V233-Y454 HydrophobicContact CG1-CD1 4.07Å; V233-Y454 HydrophobicContact CG1-CG 4.13Å; V233-Y454 HydrophobicContact CG2-CD1 3.63Å; V233-Y454 HydrophobicContact CG2-CE1 3.77Å; V233-Y454 HydrophobicContact CG2-CG 4.42Å
234	S	91.3	Very high	91.2	Very high	7 Å²	7	14.8 Å²	14.8	5%	0.049	8%	0.075	C	C	.	.	H	α-helix	trans	-69.3	-32.8	179.7	68.7	0	0	0	0	112.3	P230 I231 R237 P238 D273	P230-S234 WeakPolarHBondContact O-CB 3.09Å; P230-S234 PolarHBondContact O-N 3.2Å; P230-S234 PolarHBondContact O-OG 3.49Å; P230-S234 VanDerWaalsContact O-OG 3.07Å; I231-S234 PolarHBondContact O-OG 2.78Å; S234-R237 CarbonylContact O-C 3.51Å; S234-R237 VanDerWaalsContact O-C 3.28Å; S234-P238 WeakPolarHBondContact O-CA 3.44Å; S234-P238 WeakPolarHBondContact O-CB 3.31Å; S234-P238 WeakPolarHBondContact O-CD 3.27Å; S234-D273 VanDerWaalsContact CB-OD2 3.25Å; S234-D273 WeakPolarHBondContact CB-OD2 3.39Å
235	T	93.1	Very high	91.9	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-68.6	-42	175.2	-54.2	0	0	0	0	112.3	I231 Y232 S484 I496	I231-T235 VanDerWaalsContact O-CB 3.29Å; I231-T235 WeakPolarHBondContact O-CB 3.36Å; I231-T235 PolarHBondContact O-N 2.97Å; I231-T235 PolarHBondContact O-OG1 3.31Å; Y232-T235 PolarHBondContact O-N 3.23Å; T235-S484 VanDerWaalsContact OG1-CB 3.26Å; T235-S484 WeakPolarHBondContact OG1-CB 3.42Å; T235-S484 PolarHBondContact OG1-OG 2.86Å; T235-I496 HydrophobicContact CG2-CB 4.01Å; T235-I496 HydrophobicContact CG2-CD1 4.47Å; T235-I496 HydrophobicContact CG2-CG2 3.62Å
236	V	91.9	Very high	92.3	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-81.1	-29.1	-178.9	177.4	0	0	0	0	111.9	Y232 V233 Y454 L493 I496	Y232-V236 HydrophobicContact CD1-CG2 3.97Å; Y232-V236 HydrophobicContact CE1-CB 4.49Å; Y232-V236 HydrophobicContact CE1-CG2 3.56Å; Y232-V236 WeakPolarHBondContact O-CG2 3.38Å; Y232-V236 PolarHBondContact O-N 3.15Å; V233-V236 PolarHBondContact O-N 3.01Å; V236-Y454 HydrophobicContact CB-CE2 4.44Å; V236-Y454 HydrophobicContact CG1-CD2 4.34Å; V236-Y454 HydrophobicContact CG1-CE2 4.19Å; V236-L493 HydrophobicContact CG1-CD2 3.74Å; V236-L493 HydrophobicContact CG2-CD2 3.98Å; V236-I496 HydrophobicContact CG2-CG2 3.68Å
237	R	89.8	Confident	92.6	Very high	17 Å²	17	12.7 Å²	12.7	6%	0.064	7%	0.067	C	C	.	.			trans	-137.2	77.7	-179.8	-60.9	-64.7	-179.9	-110.8	7.6	109.9	V233 S234 Q239 K241 Y454 L457 N459	V233-R237 CarbonylContact O-C 3.58Å; V233-R237 WeakPolarHBondContact O-CA 3.45Å; V233-R237 WeakPolarHBondContact O-CB 3.37Å; V233-R237 PolarHBondContact O-N 3.29Å; S234-R237 CarbonylContact O-C 3.51Å; S234-R237 VanDerWaalsContact O-C 3.28Å; R237-Q239 PolarHBondContact O-N 3.13Å; R237-Q239 VanDerWaalsContact O-N 3.15Å; R237-K241 PolarHBondContact O-NZ 2.8Å; R237-Y454 HydrophobicContact CG-CD2 4.28Å; R237-L457 HydrophobicContact CG-CD1 4.28Å; R237-N459 PolarHBondContact NH1-OD1 3.43Å; R237-N459 PolarHBondContact NH2-OD1 2.98Å
238	P	87.4	Confident	92.7	Very high	46 Å²	46	12.6 Å²	12.6	30%	0.299	7%	0.066	S	C	.	.			trans	-70.7	-8	-175.9	25.8	-34.8	0	0	0	114.7	S234 I462 V466	S234-P238 WeakPolarHBondContact O-CA 3.44Å; S234-P238 WeakPolarHBondContact O-CB 3.31Å; S234-P238 WeakPolarHBondContact O-CD 3.27Å; P238-I462 HydrophobicContact CG-CB 4.23Å; P238-I462 HydrophobicContact CG-CD1 3.8Å; P238-I462 HydrophobicContact CG-CG2 3.84Å; P238-V466 HydrophobicContact CB-CG2 3.99Å
239	Q	86.6	Confident	92.8	Very high	23 Å²	23	12.7 Å²	12.7	11%	0.107	7%	0.066	C	C	.	.	S	Bend	trans	-75.5	140.3	-179.3	-68.5	174.3	-12.2	0	0	111.1	R237 K241 N350 I462	R237-Q239 PolarHBondContact O-N 3.13Å; R237-Q239 VanDerWaalsContact O-N 3.15Å; Q239-K241 PolarHBondContact O-NZ 2.58Å; Q239-N350 WeakPolarHBondContact CB-O 3.28Å; Q239-N350 VanDerWaalsContact NE2-CG 3.29Å; Q239-N350 PolarHBondContact NE2-ND2 3.32Å; Q239-N350 PolarHBondContact NE2-OD1 3.3Å; Q239-N350 VanDerWaalsContact NE2-OD1 3.1Å; Q239-I462 HydrophobicContact CG-CD1 4.38Å
240	S	87.7	Confident	92.8	Very high	17 Å²	17	9.1 Å²	9.1	12%	0.119	5%	0.053	C	C	.	.			trans	-62.4	137.7	178	-40.4	0	0	0	0	110.7	T351 D352 K527	S240-T351 CarbonylContact O-C 3.52Å; S240-T351 VanDerWaalsContact O-CA 3.24Å; S240-T351 WeakPolarHBondContact O-CA 3.37Å; S240-D352 PolarHBondContact O-N 3.31Å; S240-K527 PolarHBondContact OG-NZ 2.99Å
241	K	91.1	Very high	92.5	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.3	-177.9	-62	158.3	-151.3	65.5	0	110.5	R237 Q239 I243 D276 K277 D352 L457	R237-K241 PolarHBondContact O-NZ 2.8Å; Q239-K241 PolarHBondContact O-NZ 2.58Å; K241-I243 HydrophobicContact CB-CD1 4.19Å; K241-I243 HydrophobicContact CB-CG1 3.98Å; K241-D276 HydrophobicContact CB-CB 4.41Å; K241-D276 WeakPolarHBondContact CB-OD1 3.34Å; K241-D276 PolarHBondContact N-OD1 3.23Å; K241-D276 IonicContact NZ-OD1 3.51Å; K241-D276 IonicContact NZ-OD2 3.45Å; K241-K277 PolarHBondContact O-N 2.91Å; K241-D352 CarbonylContact C-O 3.53Å; K241-D352 WeakPolarHBondContact CA-O 3.44Å; K241-D352 HydrophobicContact CG-CB 4.23Å; K241-L457 HydrophobicContact CD-CD1 4.18Å; K241-L457 HydrophobicContact CG-CD1 4.46Å
242	H	93.4	Very high	91.9	Very high	10 Å²	10	11.1 Å²	11.1	5%	0.046	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.3	169.1	-72.1	173.5	0	0	0	108.4	K277 L300 D352 M353 V354	H242-K277 WeakPolarHBondContact CA-O 3.43Å; H242-L300 HydrophobicContact CB-CD1 3.64Å; H242-D352 PolarHBondContact N-O 3.15Å; H242-M353 HydrophobicContact CB-CG 4.36Å; H242-V354 PolarHBondContact O-N 2.79Å
243	I	95.1	Very high	91.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.5	-172.1	-52	-173.2	0	0	0	110.9	K241 V245 I272 K277 I278 S279 V354 I356 F453	K241-I243 HydrophobicContact CB-CD1 4.19Å; K241-I243 HydrophobicContact CB-CG1 3.98Å; I243-V245 HydrophobicContact CG2-CG2 4.1Å; I243-I272 HydrophobicContact CD1-CG2 3.64Å; I243-K277 PolarHBondContact N-O 2.92Å; I243-I278 HydrophobicContact CB-CD1 4.48Å; I243-I278 HydrophobicContact CB-CG1 4.43Å; I243-I278 HydrophobicContact CG2-CD1 4.41Å; I243-I278 CarbonylContact O-C 3.48Å; I243-I278 VanDerWaalsContact O-CA 3.24Å; I243-I278 WeakPolarHBondContact O-CA 3.39Å; I243-S279 PolarHBondContact O-N 3.27Å; I243-V354 CarbonylContact C-O 3.28Å; I243-V354 WeakPolarHBondContact CA-O 3.33Å; I243-I356 HydrophobicContact CG2-CD1 3.97Å; I243-I356 HydrophobicContact CG2-CG1 4.36Å; I243-F453 HydrophobicContact CD1-CE2 3.63Å; I243-F453 HydrophobicContact CD1-CZ 3.64Å
244	V	97.2	Very high	91.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.9	166.7	-176.2	0	0	0	0	109.3	I246 S279 L281 L300 A334 I338 V354 I355 I356	V244-I246 HydrophobicContact CG1-CG1 4.13Å; V244-S279 WeakPolarHBondContact CA-O 3.47Å; V244-L281 HydrophobicContact CG1-CD1 3.77Å; V244-L281 HydrophobicContact CG1-CG 4.06Å; V244-L300 HydrophobicContact CG2-CD2 3.6Å; V244-A334 HydrophobicContact CB-CB 4.28Å; V244-A334 HydrophobicContact CG1-CB 3.7Å; V244-I338 HydrophobicContact CG2-CD1 4.03Å; V244-I338 HydrophobicContact CG2-CG1 3.83Å; V244-V354 PolarHBondContact N-O 2.85Å; V244-I355 HydrophobicContact CB-CG1 4.45Å; V244-I355 CarbonylContact O-C 3.57Å; V244-I355 WeakPolarHBondContact O-CA 3.26Å; V244-I356 PolarHBondContact O-N 3.11Å
245	V	97.5	Very high	91.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.7	175.3	-170.2	0	0	0	0	108.7	I243 L247 A265 I268 I278 S279 V280 L281 I356 L358	I243-V245 HydrophobicContact CG2-CG2 4.1Å; V245-L247 HydrophobicContact CG1-CD1 3.77Å; V245-A265 HydrophobicContact CG1-CB 4.26Å; V245-I268 HydrophobicContact CG1-CD1 4.19Å; V245-I268 HydrophobicContact CG2-CD1 4.31Å; V245-I268 HydrophobicContact CG2-CG2 3.9Å; V245-I278 HydrophobicContact CG2-CD1 4.09Å; V245-S279 PolarHBondContact N-O 3.24Å; V245-V280 HydrophobicContact CB-CG2 4.34Å; V245-V280 CarbonylContact O-C 3.58Å; V245-V280 WeakPolarHBondContact O-CA 3.36Å; V245-L281 PolarHBondContact O-N 3.07Å; V245-I356 CarbonylContact C-O 3.59Å; V245-I356 WeakPolarHBondContact CA-O 3.42Å; V245-L358 HydrophobicContact CG1-CD1 3.97Å
246	I	97.5	Very high	91.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.9	179.7	-54.5	175.2	0	0	0	108.4	V244 L281 V283 F331 A334 I355 I356 Y357 L358	V244-I246 HydrophobicContact CG1-CG1 4.13Å; I246-L281 CarbonylContact C-O 3.56Å; I246-L281 WeakPolarHBondContact CA-O 3.42Å; I246-L281 HydrophobicContact CG1-CB 4.45Å; I246-L281 HydrophobicContact CG1-CD1 4.39Å; I246-V283 HydrophobicContact CG2-CB 4.47Å; I246-V283 HydrophobicContact CG2-CG2 3.51Å; I246-F331 HydrophobicContact CD1-CD1 4.32Å; I246-F331 HydrophobicContact CD1-CE1 4.4Å; I246-A334 HydrophobicContact CD1-CB 3.67Å; I246-A334 HydrophobicContact CG1-CB 4.27Å; I246-I355 HydrophobicContact CD1-CG2 3.65Å; I246-I355 HydrophobicContact CG1-CG2 4.24Å; I246-I356 PolarHBondContact N-O 2.87Å; I246-Y357 HydrophobicContact CB-CD2 3.72Å; I246-Y357 HydrophobicContact CB-CE2 4.35Å; I246-Y357 HydrophobicContact CG2-CD2 3.6Å; I246-Y357 HydrophobicContact CG2-CE2 3.71Å; I246-L358 PolarHBondContact O-N 3.47Å
247	L	96.5	Very high	91	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.8	177	-72.6	81.6	0	0	0	110.4	V245 A261 A265 V280 L281 T282 V283 V315 L358	V245-L247 HydrophobicContact CG1-CD1 3.77Å; L247-A261 HydrophobicContact CD2-CB 4.45Å; L247-A265 HydrophobicContact CD1-CB 3.99Å; L247-A265 HydrophobicContact CD2-CB 4.05Å; L247-A265 HydrophobicContact CG-CB 4.39Å; L247-V280 HydrophobicContact CD1-CG1 3.54Å; L247-L281 PolarHBondContact N-O 2.81Å; L247-T282 HydrophobicContact CB-CG2 4.4Å; L247-T282 CarbonylContact O-C 3.53Å; L247-T282 VanDerWaalsContact O-CA 3.27Å; L247-T282 WeakPolarHBondContact O-CA 3.37Å; L247-V283 PolarHBondContact O-N 2.8Å; L247-V315 HydrophobicContact CD2-CG1 4.28Å; L247-L358 HydrophobicContact CD1-CD1 4.41Å; L247-L358 HydrophobicContact CG-CD1 4.08Å
248	D	94.1	Very high	91.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.5	168.3	-170.9	-4.5	0	0	0	110.5	G250 V253 T325 L358 S359	D248-G250 PolarHBondContact OD1-N 2.81Å; D248-G250 VanDerWaalsContact OD1-N 3.1Å; D248-V253 HydrophobicContact CB-CG2 4.12Å; D248-T325 WeakPolarHBondContact OD1-CB 3.47Å; D248-T325 WeakPolarHBondContact OD1-CG2 3.45Å; D248-T325 PolarHBondContact OD1-OG1 2.82Å; D248-L358 VanDerWaalsContact CB-O 3.24Å; D248-L358 WeakPolarHBondContact CB-O 3.33Å; D248-L358 PolarHBondContact N-O 2.97Å; D248-S359 WeakPolarHBondContact OD2-CB 3.42Å; D248-S359 PolarHBondContact OD2-OG 3.3Å
249	H	94.3	Very high	91.4	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.028	15%	0.146	C	C	.	.			trans	-134.3	21.1	175.1	77.1	102	0	0	0	112.4	L258 T282 V283 V318 K319 S321	H249-L258 HydrophobicContact CB-CD1 3.91Å; H249-T282 PolarHBondContact NE2-OG1 3.15Å; H249-V283 PolarHBondContact CD2-O 3.46Å; H249-V283 VanDerWaalsContact CD2-O 3.3Å; H249-V283 PolarHBondContact N-O 3.27Å; H249-V318 HydrophobicContact CB-CG1 3.91Å; H249-K319 PolarHBondContact ND1-O 3.03Å; H249-S321 WeakPolarHBondContact O-CB 3.36Å; H249-S321 PolarHBondContact O-N 3.14Å
250	G	90.7	Very high	91.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-70.3	178.4	176.8	0	0	0	0	0	113.4	D248 S252 V253 S321 S323 T325	D248-G250 PolarHBondContact OD1-N 2.81Å; D248-G250 VanDerWaalsContact OD1-N 3.1Å; G250-S252 PolarHBondContact O-N 2.94Å; G250-V253 PolarHBondContact O-N 3.11Å; G250-S321 CarbonylContact C-O 3.59Å; G250-S323 CarbonylContact C-O 3.59Å; G250-S323 WeakPolarHBondContact CA-O 3.44Å; G250-T325 WeakPolarHBondContact CA-OG1 3.2Å
251	A	86.6	Confident	92	Very high	62 Å²	62	23.4 Å²	23.4	51%	0.512	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.6	-171.6	0	0	0	0	0	115.2	S321 D322 S323	A251-S321 WeakPolarHBondContact CA-O 3.38Å; A251-S321 PolarHBondContact N-O 2.9Å; A251-D322 WeakPolarHBondContact CB-O 3.43Å; A251-S323 PolarHBondContact N-O 3.31Å
252	S	80.4	Confident	92.2	Very high	34 Å²	34	24.5 Å²	24.5	24%	0.238	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.4	-179.6	57.6	0	0	0	0	113.6	G250	G250-S252 PolarHBondContact O-N 2.94Å
253	V	87.8	Confident	92.1	Very high	8 Å²	8	25.7 Å²	25.7	5%	0.048	15%	0.15	C	C	.	.	S	Bend	trans	-93.9	120.2	-179.6	-175.8	0	0	0	0	109.6	D248 G250 Q257 L258 L397	D248-V253 HydrophobicContact CB-CG2 4.12Å; G250-V253 PolarHBondContact O-N 3.11Å; V253-Q257 HydrophobicContact CG1-CB 3.7Å; V253-L258 HydrophobicContact CG1-CB 4Å; V253-L397 HydrophobicContact CG1-CD1 4.46Å
254	T	88.9	Confident	92.1	Very high	55 Å²	55	25.7 Å²	25.7	34%	0.337	15%	0.15	S	C	.	.			trans	-72.5	158.6	175.4	58.2	0	0	0	0	112	T256 Q257 L258 N399	T254-T256 PolarHBondContact O-N 3.16Å; T254-T256 PolarHBondContact OG1-OG1 2.93Å; T254-T256 VanDerWaalsContact OG1-OG1 3.1Å; T254-Q257 PolarHBondContact O-N 2.81Å; T254-Q257 VanDerWaalsContact O-N 3.09Å; T254-Q257 VanDerWaalsContact OG1-CD 3.25Å; T254-Q257 VanDerWaalsContact OG1-CG 3.29Å; T254-Q257 WeakPolarHBondContact OG1-CG 3.43Å; T254-Q257 PolarHBondContact OG1-N 2.89Å; T254-Q257 PolarHBondContact OG1-OE1 3.4Å; T254-L258 PolarHBondContact O-N 2.76Å; T254-N399 PolarHBondContact OG1-ND2 3Å; T254-N399 PolarHBondContact OG1-OD1 2.97Å
255	D	89.6	Confident	92	Very high	121 Å²	121	25.7 Å²	25.7	65%	0.647	15%	0.15	S	C	*	.	H	α-helix	trans	-54.5	-38.2	177.8	-71.7	-48.1	0	0	0	112.7	L258 Q259 P320	D255-L258 PolarHBondContact O-N 3.36Å; D255-Q259 WeakPolarHBondContact O-CB 3.34Å; D255-Q259 PolarHBondContact O-N 3.23Å; D255-P320 WeakPolarHBondContact OD1-CG 3.33Å
256	T	88.9	Confident	91.9	Very high	81 Å²	81	29 Å²	29	50%	0.497	17%	0.165	S	C	.	.	H	α-helix	trans	-66.2	-46.3	176.8	48.3	0	0	0	0	111.9	T254 L258 Q259 I260 N399	T254-T256 PolarHBondContact O-N 3.16Å; T254-T256 PolarHBondContact OG1-OG1 2.93Å; T254-T256 VanDerWaalsContact OG1-OG1 3.1Å; T256-L258 VanDerWaalsContact C-N 3.34Å; T256-L258 PolarHBondContact O-N 2.59Å; T256-Q259 PolarHBondContact O-N 3.06Å; T256-I260 WeakPolarHBondContact O-CG1 3.47Å; T256-I260 PolarHBondContact O-N 3.41Å; T256-N399 PolarHBondContact OG1-OD1 3.34Å
257	Q	90.2	Very high	91.7	Very high	16 Å²	16	29.7 Å²	29.7	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-40.5	176	-74.8	166.2	-43.7	0	0	111.7	V253 T254 Q259 I260 A261 L397	V253-Q257 HydrophobicContact CG1-CB 3.7Å; T254-Q257 PolarHBondContact O-N 2.81Å; T254-Q257 VanDerWaalsContact O-N 3.09Å; T254-Q257 VanDerWaalsContact OG1-CD 3.25Å; T254-Q257 VanDerWaalsContact OG1-CG 3.29Å; T254-Q257 WeakPolarHBondContact OG1-CG 3.43Å; T254-Q257 PolarHBondContact OG1-N 2.89Å; T254-Q257 PolarHBondContact OG1-OE1 3.4Å; Q257-Q259 VanDerWaalsContact C-N 3.34Å; Q257-I260 PolarHBondContact O-N 2.8Å; Q257-A261 WeakPolarHBondContact O-CB 3.44Å; Q257-A261 PolarHBondContact O-N 3Å; Q257-L397 HydrophobicContact CB-CB 3.99Å; Q257-L397 HydrophobicContact CB-CD1 4.44Å; Q257-L397 HydrophobicContact CG-CB 4.03Å; Q257-L397 PolarHBondContact NE2-O 3.21Å
258	L	92.6	Very high	91.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-40.3	176.4	-178.5	61.4	0	0	0	110.9	H249 V253 T254 D255 T256 A261 K262 V318 P320	H249-L258 HydrophobicContact CB-CD1 3.91Å; V253-L258 HydrophobicContact CG1-CB 4Å; T254-L258 PolarHBondContact O-N 2.76Å; D255-L258 PolarHBondContact O-N 3.36Å; T256-L258 VanDerWaalsContact C-N 3.34Å; T256-L258 PolarHBondContact O-N 2.59Å; L258-A261 WeakPolarHBondContact O-CB 3.48Å; L258-A261 PolarHBondContact O-N 2.74Å; L258-K262 VanDerWaalsContact O-CG 3.31Å; L258-K262 WeakPolarHBondContact O-CG 3.25Å; L258-K262 PolarHBondContact O-N 2.82Å; L258-V318 HydrophobicContact CD1-CG1 4.22Å; L258-P320 HydrophobicContact CD2-CB 4.41Å; L258-P320 VanDerWaalsContact CD2-CD 3.5Å; L258-P320 HydrophobicContact CD2-CG 3.73Å
259	Q	92.5	Very high	91.6	Very high	80 Å²	80	30 Å²	30	37%	0.374	17%	0.171	S	C	.	.	H	α-helix	trans	-62.3	-44.6	175.4	-173.1	56.5	37.5	0	0	111.5	D255 T256 Q257 A261 K262 D263	D255-Q259 WeakPolarHBondContact O-CB 3.34Å; D255-Q259 PolarHBondContact O-N 3.23Å; T256-Q259 PolarHBondContact O-N 3.06Å; Q257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-A261 VanDerWaalsContact C-N 3.3Å; Q259-A261 PolarHBondContact O-N 2.97Å; Q259-K262 WeakPolarHBondContact O-CB 3.47Å; Q259-K262 PolarHBondContact O-N 3.42Å; Q259-D263 VanDerWaalsContact NE2-CG 3.28Å; Q259-D263 PolarHBondContact NE2-OD1 2.98Å; Q259-D263 PolarHBondContact NE2-OD2 3.42Å; Q259-D263 PolarHBondContact O-N 3.08Å
260	I	92.3	Very high	91.5	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-43.6	173.3	-67.5	166.8	0	0	0	110.9	T256 Q257 D263 A264 L397 L440 L443 L446	T256-I260 WeakPolarHBondContact O-CG1 3.47Å; T256-I260 PolarHBondContact O-N 3.41Å; Q257-I260 PolarHBondContact O-N 2.8Å; I260-D263 PolarHBondContact O-N 2.7Å; I260-A264 VanDerWaalsContact O-CB 3.23Å; I260-A264 WeakPolarHBondContact O-CB 3.32Å; I260-A264 PolarHBondContact O-N 2.76Å; I260-L397 HydrophobicContact CB-CD2 4.49Å; I260-L397 HydrophobicContact CG2-CD2 4.03Å; I260-L440 HydrophobicContact CG2-CB 3.88Å; I260-L440 HydrophobicContact CG2-CD1 4.24Å; I260-L443 HydrophobicContact CB-CD2 4.29Å; I260-L443 HydrophobicContact CG1-CD2 3.66Å; I260-L443 HydrophobicContact CG1-CG 4.2Å; I260-L446 HydrophobicContact CG2-CD2 4.11Å
261	A	94.1	Very high	91.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-40.7	178	0	0	0	0	0	112.6	L247 Q257 L258 Q259 A265 L358 L397	L247-A261 HydrophobicContact CD2-CB 4.45Å; Q257-A261 WeakPolarHBondContact O-CB 3.44Å; Q257-A261 PolarHBondContact O-N 3Å; L258-A261 WeakPolarHBondContact O-CB 3.48Å; L258-A261 PolarHBondContact O-N 2.74Å; Q259-A261 VanDerWaalsContact C-N 3.3Å; Q259-A261 PolarHBondContact O-N 2.97Å; A261-A265 WeakPolarHBondContact O-CB 3.13Å; A261-A265 PolarHBondContact O-N 3.15Å; A261-L358 HydrophobicContact CB-CB 4.19Å; A261-L397 HydrophobicContact CB-CD1 3.76Å; A261-L397 HydrophobicContact CB-CD2 3.96Å
262	K	95.1	Very high	91.8	Very high	25 Å²	25	29.9 Å²	29.9	11%	0.109	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-48.6	175.8	-73.4	175.7	176.3	-173	0	111.5	L258 Q259 A264 A265 Q266 V315 S316 V318	L258-K262 VanDerWaalsContact O-CG 3.31Å; L258-K262 WeakPolarHBondContact O-CG 3.25Å; L258-K262 PolarHBondContact O-N 2.82Å; Q259-K262 WeakPolarHBondContact O-CB 3.47Å; Q259-K262 PolarHBondContact O-N 3.42Å; K262-A264 VanDerWaalsContact C-N 3.35Å; K262-A265 PolarHBondContact O-N 3.14Å; K262-Q266 WeakPolarHBondContact O-CG 3.36Å; K262-Q266 PolarHBondContact O-N 2.95Å; K262-V315 HydrophobicContact CB-CG1 3.81Å; K262-V315 WeakPolarHBondContact CE-O 3.32Å; K262-V315 HydrophobicContact CG-CG1 3.96Å; K262-V315 WeakPolarHBondContact CG-O 3.42Å; K262-V315 WeakPolarHBondContact O-CG1 3.28Å; K262-S316 PolarHBondContact NZ-O 3.12Å; K262-V318 WeakPolarHBondContact CE-O 3.41Å; K262-V318 PolarHBondContact NZ-O 3.02Å
263	D	93.3	Very high	92.3	Very high	35 Å²	35	29.1 Å²	29.1	19%	0.187	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-38.3	-178.3	-64	-21	0	0	0	110.6	Q259 I260 A265 Q266 V267 L443 L446	Q259-D263 VanDerWaalsContact NE2-CG 3.28Å; Q259-D263 PolarHBondContact NE2-OD1 2.98Å; Q259-D263 PolarHBondContact NE2-OD2 3.42Å; Q259-D263 PolarHBondContact O-N 3.08Å; I260-D263 PolarHBondContact O-N 2.7Å; D263-A265 PolarHBondContact O-N 3.35Å; D263-Q266 WeakPolarHBondContact O-CB 3.46Å; D263-Q266 PolarHBondContact O-N 2.78Å; D263-V267 WeakPolarHBondContact O-CG2 3.42Å; D263-V267 PolarHBondContact O-N 2.62Å; D263-L443 HydrophobicContact CB-CD2 4.25Å; D263-L443 VanDerWaalsContact OD2-CD2 3.27Å; D263-L443 WeakPolarHBondContact OD2-CD2 3.42Å; D263-L446 HydrophobicContact CB-CD1 3.57Å
264	A	94.3	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-43.7	171.7	0	0	0	0	0	112.4	I260 K262 Q266 V267 I268 L358 L440 L446 V450	I260-A264 VanDerWaalsContact O-CB 3.23Å; I260-A264 WeakPolarHBondContact O-CB 3.32Å; I260-A264 PolarHBondContact O-N 2.76Å; K262-A264 VanDerWaalsContact C-N 3.35Å; A264-Q266 VanDerWaalsContact C-N 3.33Å; A264-Q266 PolarHBondContact O-N 2.81Å; A264-V267 PolarHBondContact O-N 3.24Å; A264-I268 WeakPolarHBondContact O-CG1 3.44Å; A264-I268 PolarHBondContact O-N 2.89Å; A264-I268 VanDerWaalsContact O-N 3.09Å; A264-L358 HydrophobicContact CB-CD1 4.3Å; A264-L358 HydrophobicContact CB-CD2 3.78Å; A264-L440 HydrophobicContact CB-CD1 4.15Å; A264-L446 HydrophobicContact CB-CD2 4.23Å; A264-V450 HydrophobicContact CB-CG1 4.26Å; A264-V450 HydrophobicContact CB-CG2 3.98Å
265	A	95.5	Very high	92.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-36.2	176.6	0	0	0	0	0	112.3	V245 L247 A261 K262 D263 I268 L269 V315 L358	V245-A265 HydrophobicContact CG1-CB 4.26Å; L247-A265 HydrophobicContact CD1-CB 3.99Å; L247-A265 HydrophobicContact CD2-CB 4.05Å; L247-A265 HydrophobicContact CG-CB 4.39Å; A261-A265 WeakPolarHBondContact O-CB 3.13Å; A261-A265 PolarHBondContact O-N 3.15Å; K262-A265 PolarHBondContact O-N 3.14Å; D263-A265 PolarHBondContact O-N 3.35Å; A265-I268 PolarHBondContact O-N 3.12Å; A265-L269 WeakPolarHBondContact O-CG 3.41Å; A265-L269 PolarHBondContact O-N 3.03Å; A265-V315 HydrophobicContact CB-CG1 4.05Å; A265-V315 HydrophobicContact CB-CG2 4.17Å; A265-L358 HydrophobicContact CB-CD1 4.28Å
266	Q	94.6	Very high	92.4	Very high	69 Å²	69	23.8 Å²	23.8	32%	0.322	13%	0.127	S	C	.	.	H	α-helix	trans	-64	-42.1	173.4	-70.9	177.5	13.8	0	0	112	K262 D263 A264 I268 L269 S270 V315	K262-Q266 WeakPolarHBondContact O-CG 3.36Å; K262-Q266 PolarHBondContact O-N 2.95Å; D263-Q266 WeakPolarHBondContact O-CB 3.46Å; D263-Q266 PolarHBondContact O-N 2.78Å; A264-Q266 VanDerWaalsContact C-N 3.33Å; A264-Q266 PolarHBondContact O-N 2.81Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 3.35Å; Q266-L269 PolarHBondContact O-N 2.97Å; Q266-S270 PolarHBondContact O-N 3.26Å; Q266-V315 HydrophobicContact CG-CG1 4.4Å
267	V	93.4	Very high	92.5	Very high	17 Å²	17	22.1 Å²	22.1	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-58.9	-45.4	174.7	171.6	0	0	0	0	110.9	D263 A264 L269 S270 A271 L446 E447	D263-V267 WeakPolarHBondContact O-CG2 3.42Å; D263-V267 PolarHBondContact O-N 2.62Å; A264-V267 PolarHBondContact O-N 3.24Å; V267-L269 PolarHBondContact O-N 2.96Å; V267-S270 PolarHBondContact O-N 3.06Å; V267-S270 PolarHBondContact O-OG 2.88Å; V267-A271 WeakPolarHBondContact O-CB 3.24Å; V267-A271 PolarHBondContact O-N 2.78Å; V267-A271 VanDerWaalsContact O-N 3.17Å; V267-L446 HydrophobicContact CG2-CB 4.37Å; V267-E447 HydrophobicContact CG2-CG 4.13Å
268	I	94.3	Very high	92.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-45.9	177.4	-63.5	161.6	0	0	0	111.2	V245 A264 A265 Q266 S270 A271 I278 I356 V450	V245-I268 HydrophobicContact CG1-CD1 4.19Å; V245-I268 HydrophobicContact CG2-CD1 4.31Å; V245-I268 HydrophobicContact CG2-CG2 3.9Å; A264-I268 WeakPolarHBondContact O-CG1 3.44Å; A264-I268 PolarHBondContact O-N 2.89Å; A264-I268 VanDerWaalsContact O-N 3.09Å; A265-I268 PolarHBondContact O-N 3.12Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 3.35Å; I268-S270 PolarHBondContact O-N 3.13Å; I268-A271 PolarHBondContact O-N 2.92Å; I268-A271 VanDerWaalsContact O-N 3.12Å; I268-I278 HydrophobicContact CG2-CD1 4.35Å; I268-I356 HydrophobicContact CD1-CB 4.4Å; I268-I356 HydrophobicContact CD1-CD1 3.78Å; I268-I356 HydrophobicContact CD1-CG2 3.74Å; I268-I356 HydrophobicContact CG1-CD1 4.2Å; I268-I356 HydrophobicContact CG2-CD1 3.99Å; I268-V450 HydrophobicContact CD1-CG1 3.64Å; I268-V450 HydrophobicContact CG1-CG1 3.45Å; I268-V450 VanDerWaalsContact CG1-CG1 3.45Å
269	L	94.1	Very high	92.8	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-60.3	-34.6	178.3	-74.9	166	0	0	0	112.3	A265 Q266 V267 A271 I278 V280 K308 M311 V315	A265-L269 WeakPolarHBondContact O-CG 3.41Å; A265-L269 PolarHBondContact O-N 3.03Å; Q266-L269 PolarHBondContact O-N 2.97Å; V267-L269 PolarHBondContact O-N 2.96Å; L269-A271 VanDerWaalsContact C-N 3.35Å; L269-I278 HydrophobicContact CD2-CD1 3.7Å; L269-I278 HydrophobicContact CD2-CG1 4.39Å; L269-I278 HydrophobicContact CD2-CG2 4.49Å; L269-I278 HydrophobicContact CG-CD1 4.47Å; L269-V280 HydrophobicContact CD1-CG2 4.5Å; L269-V280 HydrophobicContact CD2-CG2 4.2Å; L269-K308 WeakPolarHBondContact O-CE 3.38Å; L269-M311 HydrophobicContact CD1-CB 3.97Å; L269-M311 HydrophobicContact CD2-CB 3.9Å; L269-M311 HydrophobicContact CD2-SD 3.87Å; L269-V315 HydrophobicContact CD1-CG2 4.42Å
270	S	91.9	Very high	92.9	Very high	64 Å²	64	17.3 Å²	17.3	45%	0.448	9%	0.09	S	C	.	.	H	α-helix	trans	-76.6	-18.7	177.9	73.4	0	0	0	0	114.2	P230 Q266 V267 I268	P230-S270 VanDerWaalsContact CD-O 3.26Å; P230-S270 WeakPolarHBondContact CD-O 3.47Å; P230-S270 WeakPolarHBondContact CG-O 3.08Å; Q266-S270 PolarHBondContact O-N 3.26Å; V267-S270 PolarHBondContact O-N 3.06Å; V267-S270 PolarHBondContact O-OG 2.88Å; I268-S270 PolarHBondContact O-N 3.13Å
271	A	92.2	Very high	93.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-92.3	-11.8	-170.8	0	0	0	0	0	115.2	S228 P230 V233 V267 I268 L269 F453	S228-A271 WeakPolarHBondContact O-CA 3.48Å; S228-A271 WeakPolarHBondContact O-CB 3.48Å; P230-A271 WeakPolarHBondContact CA-O 3.34Å; V233-A271 HydrophobicContact CG2-CB 4.47Å; V233-A271 WeakPolarHBondContact CG2-O 3.49Å; V267-A271 WeakPolarHBondContact O-CB 3.24Å; V267-A271 PolarHBondContact O-N 2.78Å; V267-A271 VanDerWaalsContact O-N 3.17Å; I268-A271 PolarHBondContact O-N 2.92Å; I268-A271 VanDerWaalsContact O-N 3.12Å; L269-A271 VanDerWaalsContact C-N 3.35Å; A271-F453 HydrophobicContact CB-CE1 4.18Å
272	I	92.1	Very high	93.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.088	C	C	.	.			trans	-100.2	155.3	-179.7	58.1	177.9	0	0	0	111.4	I243 D276 I278 A303 K308 F453	I243-I272 HydrophobicContact CD1-CG2 3.64Å; I272-D276 HydrophobicContact CB-CB 4.22Å; I272-I278 HydrophobicContact CD1-CB 3.72Å; I272-I278 HydrophobicContact CD1-CD1 3.47Å; I272-I278 VanDerWaalsContact CD1-CD1 3.47Å; I272-I278 HydrophobicContact CD1-CG1 4.18Å; I272-I278 HydrophobicContact CD1-CG2 3.79Å; I272-A303 HydrophobicContact CD1-CB 3.42Å; I272-A303 VanDerWaalsContact CD1-CB 3.42Å; I272-A303 HydrophobicContact CG1-CB 3.87Å; I272-K308 WeakPolarHBondContact O-CE 3.47Å; I272-K308 PolarHBondContact O-NZ 3.32Å; I272-F453 HydrophobicContact CG2-CE1 4.49Å; I272-F453 HydrophobicContact CG2-CZ 4.05Å
273	D	90	Very high	93.2	Very high	18 Å²	18	15.8 Å²	15.8	10%	0.096	8%	0.083	C	C	.	.			trans	-99.6	176.9	176.4	62.5	21.1	0	0	0	111.7	P230 S234 H275 D276 A303	P230-D273 HydrophobicContact CB-CB 4.15Å; S234-D273 VanDerWaalsContact CB-OD2 3.25Å; S234-D273 WeakPolarHBondContact CB-OD2 3.39Å; D273-H275 PolarHBondContact O-N 2.78Å; D273-H275 VanDerWaalsContact OD1-CB 3.28Å; D273-H275 WeakPolarHBondContact OD1-CB 3.33Å; D273-H275 PolarHBondContact OD1-N 3.14Å; D273-H275 VanDerWaalsContact OD1-N 3.16Å; D273-D276 PolarHBondContact O-N 3.26Å; D273-D276 PolarHBondContact OD1-N 3.15Å; D273-A303 WeakPolarHBondContact O-CB 3.39Å
274	E	88.3	Confident	93.1	Very high	29 Å²	29	14.1 Å²	14.1	14%	0.136	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.7	-178.9	-65.5	65.3	-144.2	0	0	113.2	D276 K308 L469 Y529 H548	E274-D276 VanDerWaalsContact C-N 3.28Å; E274-K308 IonicContact OE1-NZ 3.7Å; E274-L469 HydrophobicContact CB-CD1 3.86Å; E274-L469 HydrophobicContact CG-CD1 4.14Å; E274-Y529 PolarHBondContact O-OH 2.83Å; E274-H548 HydrophobicContact CG-CB 4.47Å
275	H	88.3	Confident	92.9	Very high	40 Å²	40	17.4 Å²	17.4	19%	0.185	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.9	-180	-75.4	141.4	0	0	0	112.3	D273 D525 K527	D273-H275 PolarHBondContact O-N 2.78Å; D273-H275 VanDerWaalsContact OD1-CB 3.28Å; D273-H275 WeakPolarHBondContact OD1-CB 3.33Å; D273-H275 PolarHBondContact OD1-N 3.14Å; D273-H275 VanDerWaalsContact OD1-N 3.16Å; H275-D525 IonicContact CD2-OD2 3.02Å; H275-D525 IonicContact CE1-OD2 3.59Å; H275-D525 IonicContact NE2-OD2 2.64Å; H275-D525 PolarHBondContact NE2-OD2 3.31Å; H275-K527 HydrophobicContact CB-CD 4.48Å; H275-K527 VanDerWaalsContact CD2-CD 3.42Å; H275-K527 WeakPolarHBondContact CD2-CD 3.33Å; H275-K527 WeakPolarHBondContact CD2-CE 3.47Å; H275-K527 PolarHBondContact O-NZ 3.41Å; H275-K527 VanDerWaalsContact O-NZ 3.15Å
276	D	91.6	Very high	92.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.011	11%	0.111	C	C	.	.	S	Bend	trans	-88.7	159.5	174.8	-66.8	-27.7	0	0	0	112.7	K241 I272 D273 E274 A303	K241-D276 HydrophobicContact CB-CB 4.41Å; K241-D276 WeakPolarHBondContact CB-OD1 3.34Å; K241-D276 PolarHBondContact N-OD1 3.23Å; K241-D276 IonicContact NZ-OD1 3.51Å; K241-D276 IonicContact NZ-OD2 3.45Å; I272-D276 HydrophobicContact CB-CB 4.22Å; D273-D276 PolarHBondContact O-N 3.26Å; D273-D276 PolarHBondContact OD1-N 3.15Å; E274-D276 VanDerWaalsContact C-N 3.28Å; D276-A303 PolarHBondContact O-N 2.78Å
277	K	91.7	Very high	92.5	Very high	46 Å²	46	18.2 Å²	18.2	20%	0.2	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.4	172.3	-59.8	-174.3	-178.6	178	0	111.1	K241 H242 I243 L300 S301 T341	K241-K277 PolarHBondContact O-N 2.91Å; H242-K277 WeakPolarHBondContact CA-O 3.43Å; I243-K277 PolarHBondContact N-O 2.92Å; K277-L300 HydrophobicContact CB-CB 3.75Å; K277-L300 HydrophobicContact CB-CD1 4.39Å; K277-L300 HydrophobicContact CD-CB 4.42Å; K277-S301 CarbonylContact C-O 3.3Å; K277-S301 WeakPolarHBondContact CA-O 3.29Å; K277-T341 HydrophobicContact CD-CG2 3.81Å
278	I	94.3	Very high	92.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.7	-176.6	-171.8	154.9	0	0	0	112.7	I243 V245 I268 L269 I272 S301 A303 M311	I243-I278 HydrophobicContact CB-CD1 4.48Å; I243-I278 HydrophobicContact CB-CG1 4.43Å; I243-I278 HydrophobicContact CG2-CD1 4.41Å; I243-I278 CarbonylContact O-C 3.48Å; I243-I278 VanDerWaalsContact O-CA 3.24Å; I243-I278 WeakPolarHBondContact O-CA 3.39Å; V245-I278 HydrophobicContact CG2-CD1 4.09Å; I268-I278 HydrophobicContact CG2-CD1 4.35Å; L269-I278 HydrophobicContact CD2-CD1 3.7Å; L269-I278 HydrophobicContact CD2-CG1 4.39Å; L269-I278 HydrophobicContact CD2-CG2 4.49Å; L269-I278 HydrophobicContact CG-CD1 4.47Å; I272-I278 HydrophobicContact CD1-CB 3.72Å; I272-I278 HydrophobicContact CD1-CD1 3.47Å; I272-I278 VanDerWaalsContact CD1-CD1 3.47Å; I272-I278 HydrophobicContact CD1-CG1 4.18Å; I272-I278 HydrophobicContact CD1-CG2 3.79Å; I278-S301 PolarHBondContact N-O 3.39Å; I278-S301 PolarHBondContact O-N 3.39Å; I278-S301 VanDerWaalsContact O-N 3.1Å; I278-S301 PolarHBondContact O-OG 3.2Å; I278-A303 HydrophobicContact CG2-CB 3.74Å; I278-M311 HydrophobicContact CG1-SD 4.43Å; I278-M311 HydrophobicContact CG2-CE 4.17Å; I278-M311 HydrophobicContact CG2-SD 3.83Å; I278-M311 WeakPolarHBondContact O-CE 3.42Å
279	S	94.4	Very high	92.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.3	160.7	-172.5	0	0	0	0	110.6	I243 V244 V245	I243-S279 PolarHBondContact O-N 3.27Å; V244-S279 WeakPolarHBondContact CA-O 3.47Å; V245-S279 PolarHBondContact N-O 3.24Å
280	V	95.8	Very high	91.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.8	177.1	-176.2	0	0	0	0	109.6	V245 L247 L269 M311 F314 V315	V245-V280 HydrophobicContact CB-CG2 4.34Å; V245-V280 CarbonylContact O-C 3.58Å; V245-V280 WeakPolarHBondContact O-CA 3.36Å; L247-V280 HydrophobicContact CD1-CG1 3.54Å; L269-V280 HydrophobicContact CD1-CG2 4.5Å; L269-V280 HydrophobicContact CD2-CG2 4.2Å; V280-M311 HydrophobicContact CG2-CB 4.23Å; V280-M311 HydrophobicContact CG2-CG 4.35Å; V280-M311 HydrophobicContact CG2-SD 3.84Å; V280-F314 HydrophobicContact CG1-CD1 4.32Å; V280-F314 HydrophobicContact CG1-CE1 4.26Å; V280-V315 HydrophobicContact CG1-CG2 3.8Å
281	L	96.3	Very high	91.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.9	179.9	-58.8	-177.8	0	0	0	110	V244 V245 I246 L247 V287 R288 T289 R333 A334 L337	V244-L281 HydrophobicContact CG1-CD1 3.77Å; V244-L281 HydrophobicContact CG1-CG 4.06Å; V245-L281 PolarHBondContact O-N 3.07Å; I246-L281 CarbonylContact C-O 3.56Å; I246-L281 WeakPolarHBondContact CA-O 3.42Å; I246-L281 HydrophobicContact CG1-CB 4.45Å; I246-L281 HydrophobicContact CG1-CD1 4.39Å; L247-L281 PolarHBondContact N-O 2.81Å; L281-V287 HydrophobicContact CB-CG1 4.18Å; L281-V287 HydrophobicContact CD1-CG1 4.31Å; L281-V287 HydrophobicContact CD2-CG1 4.19Å; L281-V287 HydrophobicContact CG-CG1 4.47Å; L281-R288 WeakPolarHBondContact CA-O 3.39Å; L281-T289 HydrophobicContact CD2-CG2 3.49Å; L281-T289 VanDerWaalsContact CD2-CG2 3.49Å; L281-R333 HydrophobicContact CD1-CB 4.42Å; L281-R333 HydrophobicContact CD1-CG 4.22Å; L281-A334 HydrophobicContact CD1-CB 4.1Å; L281-L337 HydrophobicContact CD1-CD1 4.17Å; L281-L337 HydrophobicContact CD2-CD1 4Å; L281-L337 HydrophobicContact CG-CD1 4.39Å
282	T	95.4	Very high	90.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.3	166.8	76.3	0	0	0	0	109.7	L247 H249 V287 R288 F314 V318	L247-T282 HydrophobicContact CB-CG2 4.4Å; L247-T282 CarbonylContact O-C 3.53Å; L247-T282 VanDerWaalsContact O-CA 3.27Å; L247-T282 WeakPolarHBondContact O-CA 3.37Å; H249-T282 PolarHBondContact NE2-OG1 3.15Å; T282-V287 CarbonylContact O-C 3.36Å; T282-V287 WeakPolarHBondContact O-CA 3.43Å; T282-R288 PolarHBondContact N-O 3.15Å; T282-R288 PolarHBondContact O-N 3.15Å; T282-R288 WeakPolarHBondContact OG1-CB 3.46Å; T282-F314 HydrophobicContact CG2-CE1 3.7Å; T282-F314 HydrophobicContact CG2-CZ 3.59Å; T282-V318 HydrophobicContact CG2-CG1 4.18Å; T282-V318 HydrophobicContact CG2-CG2 3.63Å
283	V	94.9	Very high	90	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.7	-174.8	-173.8	0	0	0	0	110.3	I246 L247 H249 V287 T325 Q326	I246-V283 HydrophobicContact CG2-CB 4.47Å; I246-V283 HydrophobicContact CG2-CG2 3.51Å; L247-V283 PolarHBondContact O-N 2.8Å; H249-V283 PolarHBondContact CD2-O 3.46Å; H249-V283 VanDerWaalsContact CD2-O 3.3Å; H249-V283 PolarHBondContact N-O 3.27Å; V283-V287 HydrophobicContact CG2-CG1 4.41Å; V283-V287 HydrophobicContact CG2-CG2 4.19Å; V283-T325 HydrophobicContact CB-CG2 4.46Å; V283-T325 HydrophobicContact CG1-CG2 3.97Å; V283-Q326 WeakPolarHBondContact CG1-O 3.07Å
284	A	92.3	Very high	89.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-135.6	-115.2	163.4	0	0	0	0	0	107.5	A286 P324 T325 Q326	A284-A286 VanDerWaalsContact C-N 3.34Å; A284-A286 PolarHBondContact N-O 2.76Å; A284-P324 CarbonylContact C-O 3.6Å; A284-P324 VanDerWaalsContact C-O 3.24Å; A284-T325 CarbonylContact O-C 3.39Å; A284-T325 WeakPolarHBondContact O-CA 3.2Å; A284-Q326 PolarHBondContact O-N 2.94Å
285	D	89.5	Confident	89.3	Confident	70 Å²	70	39.1 Å²	39.1	37%	0.374	20%	0.202	S	C	.	.	S	Bend	trans	-69.6	-30.9	168	57	-31.3	0	0	0	113.3	P324 Q326	D285-P324 PolarHBondContact N-O 3.49Å; D285-Q326 PolarHBondContact O-NE2 3.45Å
286	A	89.8	Confident	89.2	Confident	48 Å²	48	37.2 Å²	37.2	40%	0.397	19%	0.193	S	C	.	.	S	Bend	trans	-131.2	158.9	176.4	0	0	0	0	0	111.3	A284	A284-A286 VanDerWaalsContact C-N 3.34Å; A284-A286 PolarHBondContact N-O 2.76Å
287	V	92.8	Very high	88.9	Confident	37 Å²	37	40.2 Å²	40.2	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.4	175.8	-174.1	0	0	0	0	109.8	L281 T282 V283 V329 R333	L281-V287 HydrophobicContact CB-CG1 4.18Å; L281-V287 HydrophobicContact CD1-CG1 4.31Å; L281-V287 HydrophobicContact CD2-CG1 4.19Å; L281-V287 HydrophobicContact CG-CG1 4.47Å; T282-V287 CarbonylContact O-C 3.36Å; T282-V287 WeakPolarHBondContact O-CA 3.43Å; V283-V287 HydrophobicContact CG2-CG1 4.41Å; V283-V287 HydrophobicContact CG2-CG2 4.19Å; V287-V329 HydrophobicContact CG2-CB 4.31Å; V287-V329 HydrophobicContact CG2-CG1 3.76Å; V287-R333 HydrophobicContact CB-CG 4.44Å; V287-R333 HydrophobicContact CG1-CB 4.21Å; V287-R333 HydrophobicContact CG1-CG 3.92Å; V287-R333 HydrophobicContact CG2-CB 4.32Å
288	R	92.6	Very high	88.6	Confident	144 Å²	144	39.6 Å²	39.6	54%	0.543	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.9	172.8	-54.1	-179.6	-179.3	178.8	2	110.3	L281 T282	L281-R288 WeakPolarHBondContact CA-O 3.39Å; T282-R288 PolarHBondContact N-O 3.15Å; T282-R288 PolarHBondContact O-N 3.15Å; T282-R288 WeakPolarHBondContact OG1-CB 3.46Å
289	T	89.6	Confident	88.4	Confident	20 Å²	20	43.8 Å²	43.8	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	163.8	178.3	46.4	0	0	0	0	109	L281 S291 F314	L281-T289 HydrophobicContact CD2-CG2 3.49Å; L281-T289 VanDerWaalsContact CD2-CG2 3.49Å; T289-S291 PolarHBondContact O-N 3.17Å; T289-S291 PolarHBondContact OG1-O 3.38Å; T289-S291 VanDerWaalsContact OG1-O 3.06Å; T289-F314 WeakPolarHBondContact O-CE2 3.37Å; T289-F314 WeakPolarHBondContact O-CZ 3.43Å
290	C	84.3	Confident	88.2	Confident	17 Å²	17	43.8 Å²	43.8	12%	0.115	22%	0.223	C	C	.	.	S	Bend	trans	-56.4	-31	-178.3	-178.4	0	0	0	0	114.7	Y296 M311 F314	C290-Y296 HydrophobicContact CB-CD1 4.41Å; C290-M311 HydrophobicContact CB-CG 4.27Å; C290-F314 HydrophobicContact CB-CB 4.19Å; C290-F314 HydrophobicContact CB-CD1 3.89Å; C290-F314 HydrophobicContact CB-CE1 4.4Å; C290-F314 HydrophobicContact CB-CG 4.01Å; C290-F314 WeakPolarHBondContact SG-CB 3.31Å
291	S	82.8	Confident	88	Confident	22 Å²	22	43.8 Å²	43.8	15%	0.154	22%	0.223	C	C	.	.			trans	-141.7	156	179.2	-168.5	0	0	0	0	110.7	T289 D293	T289-S291 PolarHBondContact O-N 3.17Å; T289-S291 PolarHBondContact OG1-O 3.38Å; T289-S291 VanDerWaalsContact OG1-O 3.06Å; S291-D293 WeakPolarHBondContact CB-OD2 3.48Å; S291-D293 PolarHBondContact O-N 3.06Å; S291-D293 PolarHBondContact OG-N 2.75Å; S291-D293 PolarHBondContact OG-OD2 2.75Å
292	L	76.9	Confident	87.6	Confident	148 Å²	148	44.8 Å²	44.8	78%	0.775	23%	0.23	S	C	*	.	S	Bend	trans	-73.4	-12.2	171.7	-66.7	175.3	0	0	0	112.6	K297	L292-K297 VanDerWaalsContact O-CE 3.31Å; L292-K297 WeakPolarHBondContact O-CE 3.33Å; L292-K297 PolarHBondContact O-NZ 3.2Å
293	D	78.4	Confident	87.4	Confident	79 Å²	79	44.7 Å²	44.7	42%	0.422	23%	0.229	S	C	.	.	S	Bend	trans	-56.6	140.4	179.1	-52.2	-37.8	0	0	0	111.1	S291 C295 Y296 K297 K310	S291-D293 WeakPolarHBondContact CB-OD2 3.48Å; S291-D293 PolarHBondContact O-N 3.06Å; S291-D293 PolarHBondContact OG-N 2.75Å; S291-D293 PolarHBondContact OG-OD2 2.75Å; D293-C295 PolarHBondContact O-N 3.48Å; D293-C295 VanDerWaalsContact O-N 3.09Å; D293-Y296 HydrophobicContact CB-CD2 4.22Å; D293-Y296 PolarHBondContact O-N 2.99Å; D293-K297 PolarHBondContact O-N 2.96Å; D293-K310 IonicContact OD2-NZ 3.95Å; D293-K310 PolarHBondContact OD2-NZ 2.72Å
294	Q	80.8	Confident	87	Confident	134 Å²	134	45.8 Å²	45.8	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-60	-26	-178	-171.1	60.3	24.4	0	0	112.8	K297 T298	Q294-K297 PolarHBondContact O-N 3.49Å; Q294-T298 PolarHBondContact NE2-OG1 3.24Å; Q294-T298 WeakPolarHBondContact O-CB 3.27Å; Q294-T298 PolarHBondContact O-N 2.75Å; Q294-T298 PolarHBondContact O-OG1 3.1Å
295	C	83	Confident	86.5	Confident	11 Å²	11	48.8 Å²	48.8	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-54.3	179.8	121.3	0	0	0	0	111.5	D293 K297 T298 Y299 N994 C996	D293-C295 PolarHBondContact O-N 3.48Å; D293-C295 VanDerWaalsContact O-N 3.09Å; C295-K297 PolarHBondContact O-N 2.98Å; C295-T298 PolarHBondContact O-N 3.35Å; C295-Y299 PolarHBondContact O-N 3.27Å; C295-N994 VanDerWaalsContact CB-OD1 3.23Å; C295-N994 WeakPolarHBondContact CB-OD1 3.35Å; C295-N994 PolarHBondContact SG-OD1 3.33Å; C295-N994 VanDerWaalsContact SG-OD1 3.42Å; C295-C996 VanDerWaalsContact CA-SG 3.59Å; C295-C996 HydrophobicContact CB-CB 3.63Å; C295-C996 WeakPolarHBondContact CB-SG 3.48Å; C295-C996 PolarHBondContact O-SG 2.93Å; C295-C996 WeakPolarHBondContact SG-CB 3.12Å; C295-C996 PolarHBondContact SG-N 2.83Å; C295-C996 CovalentContact SG-SG 2.02Å; C295-C996 PolarHBondContact SG-SG 3.23Å
296	Y	85.4	Confident	86.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-22.6	179.1	-70.1	-76.3	0	0	0	113.6	C290 D293 T307 K310 M311 E995	C290-Y296 HydrophobicContact CB-CD1 4.41Å; D293-Y296 HydrophobicContact CB-CD2 4.22Å; D293-Y296 PolarHBondContact O-N 2.99Å; Y296-T307 HydrophobicContact CE1-CG2 4.37Å; Y296-K310 HydrophobicContact CE2-CD 4.43Å; Y296-M311 HydrophobicContact CD1-CE 4.11Å; Y296-M311 HydrophobicContact CE1-CE 3.68Å; Y296-E995 HydrophobicContact CE2-CB 4.31Å; Y296-E995 WeakPolarHBondContact CE2-OE2 3.35Å; Y296-E995 WeakPolarHBondContact OH-CB 3.38Å; Y296-E995 PolarHBondContact OH-OE2 3.02Å
297	K	85.6	Confident	85.9	Confident	65 Å²	65	45.6 Å²	45.6	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-77.7	-24.1	171	-72.5	174.3	177.1	162.5	0	112.6	L292 D293 Q294 C295 R333 L337	L292-K297 VanDerWaalsContact O-CE 3.31Å; L292-K297 WeakPolarHBondContact O-CE 3.33Å; L292-K297 PolarHBondContact O-NZ 3.2Å; D293-K297 PolarHBondContact O-N 2.96Å; Q294-K297 PolarHBondContact O-N 3.49Å; C295-K297 PolarHBondContact O-N 2.98Å; K297-R333 PolarHBondContact O-NH1 2.96Å; K297-R333 PolarHBondContact O-NH2 3.48Å; K297-L337 WeakPolarHBondContact O-CD2 3.32Å
298	T	86.6	Confident	85.8	Confident	34 Å²	34	45.2 Å²	45.2	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-114	-34.3	-169	-45.6	0	0	0	0	112.5	Q294 C295 S340	Q294-T298 PolarHBondContact NE2-OG1 3.24Å; Q294-T298 WeakPolarHBondContact O-CB 3.27Å; Q294-T298 PolarHBondContact O-N 2.75Å; Q294-T298 PolarHBondContact O-OG1 3.1Å; C295-T298 PolarHBondContact O-N 3.35Å; T298-S340 VanDerWaalsContact O-CB 3.27Å; T298-S340 WeakPolarHBondContact O-CB 3.49Å; T298-S340 PolarHBondContact O-OG 3.17Å
299	Y	88.9	Confident	85.6	Confident	87 Å²	87	45 Å²	45	34%	0.341	23%	0.226	S	C	.	.	S	Bend	trans	-132.3	162.6	-170.8	-56.1	-75.8	0	0	0	111.7	C295	C295-Y299 PolarHBondContact O-N 3.27Å
300	L	90.9	Very high	85.5	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-76.9	137.3	163.2	-54.6	176.7	0	0	0	109.2	H242 V244 K277 L337 I338 T341	H242-L300 HydrophobicContact CB-CD1 3.64Å; V244-L300 HydrophobicContact CG2-CD2 3.6Å; K277-L300 HydrophobicContact CB-CB 3.75Å; K277-L300 HydrophobicContact CB-CD1 4.39Å; K277-L300 HydrophobicContact CD-CB 4.42Å; L300-L337 HydrophobicContact CD2-CB 3.99Å; L300-I338 HydrophobicContact CD1-CG1 4.36Å; L300-T341 HydrophobicContact CB-CG2 4.23Å; L300-T341 HydrophobicContact CD1-CG2 4.46Å; L300-T341 HydrophobicContact CG-CG2 4.45Å; L300-T341 PolarHBondContact N-OG1 3.24Å
301	S	90.5	Very high	86	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.3	175.9	48.3	0	0	0	0	110.8	K277 I278 T307 M311	K277-S301 CarbonylContact C-O 3.3Å; K277-S301 WeakPolarHBondContact CA-O 3.29Å; I278-S301 PolarHBondContact N-O 3.39Å; I278-S301 PolarHBondContact O-N 3.39Å; I278-S301 VanDerWaalsContact O-N 3.1Å; I278-S301 PolarHBondContact O-OG 3.2Å; S301-T307 VanDerWaalsContact OG-CG2 3.22Å; S301-T307 WeakPolarHBondContact OG-CG2 3.23Å; S301-M311 WeakPolarHBondContact OG-CE 3.22Å
302	P	89.6	Confident	86.5	Confident	21 Å²	21	46.8 Å²	46.8	14%	0.136	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	140.5	167.8	-23.1	33.1	0	0	0	111	T304 T307 C996	P302-T304 HydrophobicContact CB-CG2 4.26Å; P302-T304 PolarHBondContact O-N 3.24Å; P302-T307 WeakPolarHBondContact O-CB 3.35Å; P302-T307 WeakPolarHBondContact O-CG2 3.4Å; P302-T307 PolarHBondContact O-OG1 2.86Å; P302-C996 VanDerWaalsContact CD-O 3.29Å; P302-C996 WeakPolarHBondContact CD-O 3.38Å
303	A	90.5	Very high	87.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.			trans	-82.2	54.1	-175.1	0	0	0	0	0	112.2	I272 D273 D276 I278 K308	I272-A303 HydrophobicContact CD1-CB 3.42Å; I272-A303 VanDerWaalsContact CD1-CB 3.42Å; I272-A303 HydrophobicContact CG1-CB 3.87Å; D273-A303 WeakPolarHBondContact O-CB 3.39Å; D276-A303 PolarHBondContact O-N 2.78Å; I278-A303 HydrophobicContact CG2-CB 3.74Å; A303-K308 HydrophobicContact CB-CG 4.38Å; A303-K308 WeakPolarHBondContact O-CD 3.47Å; A303-K308 WeakPolarHBondContact O-CE 3.46Å; A303-K308 PolarHBondContact O-NZ 2.79Å
304	T	86.3	Confident	88.1	Confident	23 Å²	23	41.4 Å²	41.4	14%	0.141	21%	0.206	C	C	.	.			trans	-66.4	159	172.9	67.1	0	0	0	0	111.1	P302 E306 T307 K308	P302-T304 HydrophobicContact CB-CG2 4.26Å; P302-T304 PolarHBondContact O-N 3.24Å; T304-E306 PolarHBondContact O-N 3.44Å; T304-T307 PolarHBondContact O-N 3.01Å; T304-T307 VanDerWaalsContact O-N 3.15Å; T304-T307 PolarHBondContact OG1-N 2.92Å; T304-T307 PolarHBondContact OG1-OG1 2.89Å; T304-K308 WeakPolarHBondContact O-CB 3.31Å; T304-K308 WeakPolarHBondContact O-CG 3.12Å; T304-K308 PolarHBondContact O-N 3.46Å
305	S	82.1	Confident	88.8	Confident	64 Å²	64	35 Å²	35	45%	0.448	18%	0.176	S	C	.	.	H	α-helix	trans	-53.7	-38.2	177	-59	0	0	0	0	113.3	R309	S305-R309 VanDerWaalsContact O-CB 3.25Å; S305-R309 WeakPolarHBondContact O-CB 3.39Å; S305-R309 PolarHBondContact O-N 2.93Å
306	E	80.2	Confident	89.3	Confident	50 Å²	50	37.5 Å²	37.5	23%	0.234	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-49.1	176.4	-65.9	173.9	155.4	0	0	111.9	T304 R309 K310 L547 R910	T304-E306 PolarHBondContact O-N 3.44Å; E306-R309 PolarHBondContact O-N 3.36Å; E306-K310 PolarHBondContact O-N 3.13Å; E306-L547 HydrophobicContact CG-CD2 3.78Å; E306-L547 WeakPolarHBondContact OE1-CD1 3.27Å; E306-R910 VanDerWaalsContact OE1-CG 3.31Å; E306-R910 WeakPolarHBondContact OE1-CG 3.2Å; E306-R910 IonicContact OE1-CZ 3.23Å; E306-R910 IonicContact OE1-NE 2.71Å; E306-R910 PolarHBondContact OE1-NE 3.23Å; E306-R910 IonicContact OE1-NH2 2.82Å; E306-R910 IonicContact OE2-CZ 3Å; E306-R910 IonicContact OE2-NE 3.6Å; E306-R910 PolarHBondContact OE2-NE 2.03Å; E306-R910 IonicContact OE2-NH2 2.62Å; E306-R910 PolarHBondContact OE2-NH2 3.14Å
307	T	86.8	Confident	89.8	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-47.5	178.5	-61.7	0	0	0	0	110.9	Y296 S301 P302 T304 R309 K310 M311	Y296-T307 HydrophobicContact CE1-CG2 4.37Å; S301-T307 VanDerWaalsContact OG-CG2 3.22Å; S301-T307 WeakPolarHBondContact OG-CG2 3.23Å; P302-T307 WeakPolarHBondContact O-CB 3.35Å; P302-T307 WeakPolarHBondContact O-CG2 3.4Å; P302-T307 PolarHBondContact O-OG1 2.86Å; T304-T307 PolarHBondContact O-N 3.01Å; T304-T307 VanDerWaalsContact O-N 3.15Å; T304-T307 PolarHBondContact OG1-N 2.92Å; T304-T307 PolarHBondContact OG1-OG1 2.89Å; T307-R309 VanDerWaalsContact C-N 3.3Å; T307-R309 PolarHBondContact O-N 2.99Å; T307-K310 PolarHBondContact O-N 2.99Å; T307-M311 HydrophobicContact CG2-CE 3.62Å; T307-M311 HydrophobicContact CG2-CG 4.49Å; T307-M311 HydrophobicContact CG2-SD 4.19Å; T307-M311 WeakPolarHBondContact O-CB 3.42Å; T307-M311 WeakPolarHBondContact O-CG 3.49Å; T307-M311 PolarHBondContact O-N 3.38Å
308	K	89.7	Confident	90.1	Very high	29 Å²	29	38.5 Å²	38.5	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-44.3	176	-76.1	169.1	171.5	156	0	111.2	L269 I272 E274 A303 T304 M311 S312	L269-K308 WeakPolarHBondContact O-CE 3.38Å; I272-K308 WeakPolarHBondContact O-CE 3.47Å; I272-K308 PolarHBondContact O-NZ 3.32Å; E274-K308 IonicContact OE1-NZ 3.7Å; A303-K308 HydrophobicContact CB-CG 4.38Å; A303-K308 WeakPolarHBondContact O-CD 3.47Å; A303-K308 WeakPolarHBondContact O-CE 3.46Å; A303-K308 PolarHBondContact O-NZ 2.79Å; T304-K308 WeakPolarHBondContact O-CB 3.31Å; T304-K308 WeakPolarHBondContact O-CG 3.12Å; T304-K308 PolarHBondContact O-N 3.46Å; K308-M311 PolarHBondContact O-N 2.94Å; K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.48Å; K308-S312 PolarHBondContact O-N 3.4Å
309	R	87.9	Confident	90.4	Very high	141 Å²	141	44.6 Å²	44.6	53%	0.532	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-43	177.4	-179.4	-177.2	158.9	167.1	2.8	112.5	S305 E306 T307 S312 T313 E1194	S305-R309 VanDerWaalsContact O-CB 3.25Å; S305-R309 WeakPolarHBondContact O-CB 3.39Å; S305-R309 PolarHBondContact O-N 2.93Å; E306-R309 PolarHBondContact O-N 3.36Å; T307-R309 VanDerWaalsContact C-N 3.3Å; T307-R309 PolarHBondContact O-N 2.99Å; R309-S312 PolarHBondContact O-N 2.82Å; R309-T313 PolarHBondContact O-N 2.67Å; R309-T313 PolarHBondContact O-OG1 2.83Å; R309-E1194 IonicContact CZ-OE1 3.23Å; R309-E1194 IonicContact CZ-OE2 3.01Å; R309-E1194 IonicContact NH1-OE1 3.86Å; R309-E1194 PolarHBondContact NH1-OE1 3.33Å; R309-E1194 IonicContact NH2-OE1 2.78Å; R309-E1194 PolarHBondContact NH2-OE1 3.07Å; R309-E1194 IonicContact NH2-OE2 2.69Å; R309-E1194 PolarHBondContact NH2-OE2 3.43Å
310	K	88.8	Confident	90.5	Very high	55 Å²	55	43.2 Å²	43.2	24%	0.239	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-45	176.6	-169.5	175.7	176.9	175	0	111.1	D293 Y296 E306 T307 T313 F314 E995	D293-K310 IonicContact OD2-NZ 3.95Å; D293-K310 PolarHBondContact OD2-NZ 2.72Å; Y296-K310 HydrophobicContact CE2-CD 4.43Å; E306-K310 PolarHBondContact O-N 3.13Å; T307-K310 PolarHBondContact O-N 2.99Å; K310-T313 PolarHBondContact O-N 3.09Å; K310-F314 PolarHBondContact O-N 3.29Å; K310-E995 WeakPolarHBondContact CD-OE2 3.43Å; K310-E995 WeakPolarHBondContact CE-OE2 3.26Å; K310-E995 IonicContact NZ-OE1 3.08Å; K310-E995 PolarHBondContact NZ-OE1 3.3Å; K310-E995 IonicContact NZ-OE2 2.78Å; K310-E995 PolarHBondContact NZ-OE2 3.32Å
311	M	93.4	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-41.6	175.2	-70.4	-174.6	-177.6	0	0	112.7	L269 I278 V280 C290 Y296 S301 T307 K308 T313 F314 V315	L269-M311 HydrophobicContact CD1-CB 3.97Å; L269-M311 HydrophobicContact CD2-CB 3.9Å; L269-M311 HydrophobicContact CD2-SD 3.87Å; I278-M311 HydrophobicContact CG1-SD 4.43Å; I278-M311 HydrophobicContact CG2-CE 4.17Å; I278-M311 HydrophobicContact CG2-SD 3.83Å; I278-M311 WeakPolarHBondContact O-CE 3.42Å; V280-M311 HydrophobicContact CG2-CB 4.23Å; V280-M311 HydrophobicContact CG2-CG 4.35Å; V280-M311 HydrophobicContact CG2-SD 3.84Å; C290-M311 HydrophobicContact CB-CG 4.27Å; Y296-M311 HydrophobicContact CD1-CE 4.11Å; Y296-M311 HydrophobicContact CE1-CE 3.68Å; S301-M311 WeakPolarHBondContact OG-CE 3.22Å; T307-M311 HydrophobicContact CG2-CE 3.62Å; T307-M311 HydrophobicContact CG2-CG 4.49Å; T307-M311 HydrophobicContact CG2-SD 4.19Å; T307-M311 WeakPolarHBondContact O-CB 3.42Å; T307-M311 WeakPolarHBondContact O-CG 3.49Å; T307-M311 PolarHBondContact O-N 3.38Å; K308-M311 PolarHBondContact O-N 2.94Å; M311-T313 VanDerWaalsContact C-N 3.31Å; M311-T313 PolarHBondContact O-N 3.48Å; M311-F314 WeakPolarHBondContact O-CB 3.33Å; M311-F314 PolarHBondContact O-N 3.22Å; M311-V315 VanDerWaalsContact O-CG2 3.3Å; M311-V315 WeakPolarHBondContact O-CG2 3.25Å; M311-V315 PolarHBondContact O-N 3Å
312	S	94.5	Very high	90.4	Very high	41 Å²	41	51.9 Å²	51.9	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-42.7	175.2	-178.6	0	0	0	0	111.4	K308 R309 F314 V315 S316	K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.48Å; K308-S312 PolarHBondContact O-N 3.4Å; R309-S312 PolarHBondContact O-N 2.82Å; S312-F314 PolarHBondContact O-N 3.45Å; S312-V315 PolarHBondContact O-N 3.38Å; S312-S316 PolarHBondContact O-N 3.48Å
313	T	93.6	Very high	90.4	Very high	84 Å²	84	52.6 Å²	52.6	52%	0.515	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-44.9	174.4	-52.3	0	0	0	0	111.1	R309 K310 M311 S316 S317	R309-T313 PolarHBondContact O-N 2.67Å; R309-T313 PolarHBondContact O-OG1 2.83Å; K310-T313 PolarHBondContact O-N 3.09Å; M311-T313 VanDerWaalsContact C-N 3.31Å; M311-T313 PolarHBondContact O-N 3.48Å; T313-S316 PolarHBondContact O-N 3.15Å; T313-S316 PolarHBondContact O-OG 3.35Å; T313-S317 PolarHBondContact O-N 3.17Å; T313-S317 VanDerWaalsContact O-N 3.11Å
314	F	94.6	Very high	90.2	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.127	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-49.7	175.5	170.2	-113.2	0	0	0	112	V280 T282 T289 C290 K310 M311 S312 S316 S317 V318	V280-F314 HydrophobicContact CG1-CD1 4.32Å; V280-F314 HydrophobicContact CG1-CE1 4.26Å; T282-F314 HydrophobicContact CG2-CE1 3.7Å; T282-F314 HydrophobicContact CG2-CZ 3.59Å; T289-F314 WeakPolarHBondContact O-CE2 3.37Å; T289-F314 WeakPolarHBondContact O-CZ 3.43Å; C290-F314 HydrophobicContact CB-CB 4.19Å; C290-F314 HydrophobicContact CB-CD1 3.89Å; C290-F314 HydrophobicContact CB-CE1 4.4Å; C290-F314 HydrophobicContact CB-CG 4.01Å; C290-F314 WeakPolarHBondContact SG-CB 3.31Å; K310-F314 PolarHBondContact O-N 3.29Å; M311-F314 WeakPolarHBondContact O-CB 3.33Å; M311-F314 PolarHBondContact O-N 3.22Å; S312-F314 PolarHBondContact O-N 3.45Å; F314-S316 VanDerWaalsContact C-N 3.33Å; F314-S316 PolarHBondContact O-N 2.59Å; F314-S317 PolarHBondContact O-N 3.29Å; F314-S317 VanDerWaalsContact O-N 3.08Å; F314-S317 PolarHBondContact O-OG 2.67Å; F314-V318 WeakPolarHBondContact O-CG2 3.37Å; F314-V318 PolarHBondContact O-N 3.4Å
315	V	95.9	Very high	90.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.8	-46.6	176.7	170.3	0	0	0	0	111.2	L247 K262 A265 Q266 L269 V280 M311 S312 S317 V318	L247-V315 HydrophobicContact CD2-CG1 4.28Å; K262-V315 HydrophobicContact CB-CG1 3.81Å; K262-V315 WeakPolarHBondContact CE-O 3.32Å; K262-V315 HydrophobicContact CG-CG1 3.96Å; K262-V315 WeakPolarHBondContact CG-O 3.42Å; K262-V315 WeakPolarHBondContact O-CG1 3.28Å; A265-V315 HydrophobicContact CB-CG1 4.05Å; A265-V315 HydrophobicContact CB-CG2 4.17Å; Q266-V315 HydrophobicContact CG-CG1 4.4Å; L269-V315 HydrophobicContact CD1-CG2 4.42Å; V280-V315 HydrophobicContact CG1-CG2 3.8Å; M311-V315 VanDerWaalsContact O-CG2 3.3Å; M311-V315 WeakPolarHBondContact O-CG2 3.25Å; M311-V315 PolarHBondContact O-N 3Å; S312-V315 PolarHBondContact O-N 3.38Å; V315-S317 PolarHBondContact O-N 3.28Å; V315-V318 WeakPolarHBondContact O-CG2 3.28Å; V315-V318 PolarHBondContact O-N 2.95Å
316	S	94.4	Very high	90.8	Very high	64 Å²	64	57.8 Å²	57.8	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-34.2	179	74.9	0	0	0	0	112.6	K262 S312 T313 F314 V318	K262-S316 PolarHBondContact NZ-O 3.12Å; S312-S316 PolarHBondContact O-N 3.48Å; T313-S316 PolarHBondContact O-N 3.15Å; T313-S316 PolarHBondContact O-OG 3.35Å; F314-S316 VanDerWaalsContact C-N 3.33Å; F314-S316 PolarHBondContact O-N 2.59Å; S316-V318 PolarHBondContact O-N 2.95Å
317	S	94.4	Very high	91.4	Very high	74 Å²	74	55.8 Å²	55.8	52%	0.517	30%	0.302	S	S	.	.	H	α-helix	trans	-78.3	-13.6	-176.7	77.6	0	0	0	0	115.3	T313 F314 V315	T313-S317 PolarHBondContact O-N 3.17Å; T313-S317 VanDerWaalsContact O-N 3.11Å; F314-S317 PolarHBondContact O-N 3.29Å; F314-S317 VanDerWaalsContact O-N 3.08Å; F314-S317 PolarHBondContact O-OG 2.67Å; V315-S317 PolarHBondContact O-N 3.28Å
318	V	93.6	Very high	91.7	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.311	C	S	.	.			trans	-61.9	139.3	-177.2	-177.3	0	0	0	0	110.6	H249 L258 K262 T282 F314 V315 S316	H249-V318 HydrophobicContact CB-CG1 3.91Å; L258-V318 HydrophobicContact CD1-CG1 4.22Å; K262-V318 WeakPolarHBondContact CE-O 3.41Å; K262-V318 PolarHBondContact NZ-O 3.02Å; T282-V318 HydrophobicContact CG2-CG1 4.18Å; T282-V318 HydrophobicContact CG2-CG2 3.63Å; F314-V318 WeakPolarHBondContact O-CG2 3.37Å; F314-V318 PolarHBondContact O-N 3.4Å; V315-V318 WeakPolarHBondContact O-CG2 3.28Å; V315-V318 PolarHBondContact O-N 2.95Å; S316-V318 PolarHBondContact O-N 2.95Å
319	K	92.5	Very high	91.9	Very high	163 Å²	163	58.5 Å²	58.5	71%	0.709	32%	0.323	S	S	*	.			trans	-124.4	154.7	175	-65.9	-174.4	-179.3	-176.7	0	110.1	H249	H249-K319 PolarHBondContact ND1-O 3.03Å
320	P	90.6	Very high	92.2	Very high	57 Å²	57	51.8 Å²	51.8	37%	0.37	30%	0.298	S	S	.	.			trans	-57.1	146.2	172.2	-14.6	26.1	0	0	0	110.4	D255 L258	D255-P320 WeakPolarHBondContact OD1-CG 3.33Å; L258-P320 HydrophobicContact CD2-CB 4.41Å; L258-P320 VanDerWaalsContact CD2-CD 3.5Å; L258-P320 HydrophobicContact CD2-CG 3.73Å
321	S	90.6	Very high	92.5	Very high	21 Å²	21	49.2 Å²	49.2	15%	0.147	29%	0.287	C	S	.	.			trans	-108.4	145.6	175.1	-173.2	0	0	0	0	109.7	H249 G250 A251 S323	H249-S321 WeakPolarHBondContact O-CB 3.36Å; H249-S321 PolarHBondContact O-N 3.14Å; G250-S321 CarbonylContact C-O 3.59Å; A251-S321 WeakPolarHBondContact CA-O 3.38Å; A251-S321 PolarHBondContact N-O 2.9Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-N 3.42Å
322	D	89	Confident	92.6	Very high	162 Å²	162	53 Å²	53	87%	0.866	30%	0.304	S	S	*	.	S	Bend	trans	-78.4	-6.9	174.8	-61	-42.5	0	0	0	112.8	A251	A251-D322 WeakPolarHBondContact CB-O 3.43Å
323	S	88.9	Confident	92.7	Very high	37 Å²	37	53.4 Å²	53.4	26%	0.259	30%	0.299	S	S	.	.	S	Bend	trans	-88.9	149.7	180	-58.5	0	0	0	0	112.8	G250 A251 S321	G250-S323 CarbonylContact C-O 3.59Å; G250-S323 WeakPolarHBondContact CA-O 3.44Å; A251-S323 PolarHBondContact N-O 3.31Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-N 3.42Å
324	P	87.5	Confident	92.8	Very high	83 Å²	83	49.4 Å²	49.4	54%	0.539	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-68.3	152	175.8	29.7	-35.6	0	0	0	112.2	A284 D285	A284-P324 CarbonylContact C-O 3.6Å; A284-P324 VanDerWaalsContact C-O 3.24Å; D285-P324 PolarHBondContact N-O 3.49Å
325	T	89.8	Confident	92.8	Very high	17 Å²	17	48 Å²	48	10%	0.104	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-78.1	124.8	-179.1	-50.5	0	0	0	0	112.2	D248 G250 V283 A284 H327	D248-T325 WeakPolarHBondContact OD1-CB 3.47Å; D248-T325 WeakPolarHBondContact OD1-CG2 3.45Å; D248-T325 PolarHBondContact OD1-OG1 2.82Å; G250-T325 WeakPolarHBondContact CA-OG1 3.2Å; V283-T325 HydrophobicContact CB-CG2 4.46Å; V283-T325 HydrophobicContact CG1-CG2 3.97Å; A284-T325 CarbonylContact O-C 3.39Å; A284-T325 WeakPolarHBondContact O-CA 3.2Å; T325-H327 PolarHBondContact O-N 3.4Å
326	Q	91.4	Very high	92.7	Very high	96 Å²	96	51.4 Å²	51.4	45%	0.449	29%	0.285	S	S	.	.			trans	-95.1	84.1	172.6	-65.3	-169.6	30.9	0	0	111.2	V283 A284 D285 A328 V329 G330	V283-Q326 WeakPolarHBondContact CG1-O 3.07Å; A284-Q326 PolarHBondContact O-N 2.94Å; D285-Q326 PolarHBondContact O-NE2 3.45Å; Q326-A328 PolarHBondContact O-N 3.11Å; Q326-V329 HydrophobicContact CB-CB 4.33Å; Q326-V329 HydrophobicContact CB-CG2 4.03Å; Q326-V329 PolarHBondContact O-N 3.24Å; Q326-G330 PolarHBondContact O-N 3.43Å
327	H	91.4	Very high	92.7	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.032	26%	0.263	C	S	.	.	H	α-helix	trans	-54.4	-46.4	-177.6	-55.5	-80.3	0	0	0	113.4	T325 V329 G330 F331 Y357 I362 T375	T325-H327 PolarHBondContact O-N 3.4Å; H327-V329 VanDerWaalsContact C-N 3.33Å; H327-V329 PolarHBondContact O-N 3.35Å; H327-G330 PolarHBondContact O-N 3.35Å; H327-F331 WeakPolarHBondContact O-CD2 3.38Å; H327-F331 PolarHBondContact O-N 2.95Å; H327-F331 VanDerWaalsContact O-N 3.11Å; H327-Y357 PolarHBondContact CE1-OH 3.1Å; H327-Y357 VanDerWaalsContact CE1-OH 3.26Å; H327-Y357 AromaticContact ND1-CZ 3.7Å; H327-Y357 PolarHBondContact ND1-OH 3.45Å; H327-I362 PolarHBondContact NE2-O 3.01Å; H327-T375 HydrophobicContact CB-CG2 3.84Å; H327-T375 WeakPolarHBondContact CB-OG1 3.43Å
328	A	92.8	Very high	92.6	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-41.1	-177.7	0	0	0	0	0	113	Q326 F331 H332 T375 V378	Q326-A328 PolarHBondContact O-N 3.11Å; A328-F331 PolarHBondContact O-N 2.91Å; A328-H332 WeakPolarHBondContact O-CB 3.49Å; A328-H332 PolarHBondContact O-N 2.97Å; A328-T375 PolarHBondContact N-OG1 3.4Å; A328-V378 HydrophobicContact CB-CG2 4.24Å
329	V	93.7	Very high	92.4	Very high	62 Å²	62	47.8 Å²	47.8	38%	0.376	25%	0.249	S	C	.	.	H	α-helix	trans	-68.7	-38.8	179.9	-173.1	0	0	0	0	110.8	V287 Q326 H327 R333	V287-V329 HydrophobicContact CG2-CB 4.31Å; V287-V329 HydrophobicContact CG2-CG1 3.76Å; Q326-V329 HydrophobicContact CB-CB 4.33Å; Q326-V329 HydrophobicContact CB-CG2 4.03Å; Q326-V329 PolarHBondContact O-N 3.24Å; H327-V329 VanDerWaalsContact C-N 3.33Å; H327-V329 PolarHBondContact O-N 3.35Å; V329-R333 WeakPolarHBondContact O-CB 3.2Å; V329-R333 PolarHBondContact O-N 3.32Å
330	G	94.3	Very high	92.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-51	173.7	0	0	0	0	0	112.8	Q326 H327 R333 A334	Q326-G330 PolarHBondContact O-N 3.43Å; H327-G330 PolarHBondContact O-N 3.35Å; G330-R333 PolarHBondContact O-N 2.95Å; G330-A334 PolarHBondContact O-N 2.96Å
331	F	96.7	Very high	92.1	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-44.8	178.3	-81.2	-74.5	0	0	0	112.5	I246 H327 A328 R333 A334 F335 I355 Y357 T375 V378 I379 I392 L414	I246-F331 HydrophobicContact CD1-CD1 4.32Å; I246-F331 HydrophobicContact CD1-CE1 4.4Å; H327-F331 WeakPolarHBondContact O-CD2 3.38Å; H327-F331 PolarHBondContact O-N 2.95Å; H327-F331 VanDerWaalsContact O-N 3.11Å; A328-F331 PolarHBondContact O-N 2.91Å; F331-R333 PolarHBondContact O-N 3.46Å; F331-A334 PolarHBondContact O-N 2.71Å; F331-A334 VanDerWaalsContact O-N 3.13Å; F331-F335 HydrophobicContact CD1-CE2 4.38Å; F331-F335 VanDerWaalsContact O-CD2 3.25Å; F331-F335 WeakPolarHBondContact O-CD2 3.49Å; F331-F335 PolarHBondContact O-N 3.04Å; F331-I355 HydrophobicContact CD1-CG2 4.39Å; F331-I355 HydrophobicContact CE1-CG2 3.99Å; F331-Y357 AromaticContact CE2-CD1 3.96Å; F331-Y357 HydrophobicContact CE2-CD1 3.96Å; F331-Y357 HydrophobicContact CE2-CE1 4.06Å; F331-Y357 HydrophobicContact CE2-CG 4.31Å; F331-Y357 AromaticContact CZ-CD1 3.73Å; F331-Y357 HydrophobicContact CZ-CD1 3.73Å; F331-Y357 HydrophobicContact CZ-CE1 4.31Å; F331-Y357 AromaticContact CZ-CG 3.86Å; F331-Y357 HydrophobicContact CZ-CG 3.86Å; F331-T375 HydrophobicContact CD2-CG2 3.71Å; F331-T375 HydrophobicContact CE2-CG2 4.11Å; F331-V378 HydrophobicContact CB-CG1 4.46Å; F331-I379 HydrophobicContact CB-CG1 4.08Å; F331-I379 HydrophobicContact CD1-CD1 4Å; F331-I379 HydrophobicContact CD1-CG1 3.97Å; F331-I379 HydrophobicContact CD2-CD1 4.1Å; F331-I379 HydrophobicContact CD2-CG1 4.45Å; F331-I379 HydrophobicContact CE1-CD1 4.13Å; F331-I379 HydrophobicContact CE2-CD1 4.23Å; F331-I379 HydrophobicContact CG-CD1 3.98Å; F331-I379 HydrophobicContact CG-CG1 3.91Å; F331-I379 HydrophobicContact CZ-CD1 4.25Å; F331-I392 HydrophobicContact CD1-CD1 4.36Å; F331-I392 HydrophobicContact CE1-CD1 3.98Å; F331-I392 HydrophobicContact CE1-CG2 3.96Å; F331-I392 HydrophobicContact CZ-CG2 4.31Å; F331-L414 HydrophobicContact CE2-CD1 4.14Å; F331-L414 HydrophobicContact CZ-CD1 4.37Å
332	H	95.7	Very high	91.5	Very high	78 Å²	78	38 Å²	38	36%	0.361	20%	0.202	S	C	.	.	H	α-helix	trans	-53.3	-45.4	175.9	-177.4	64.8	0	0	0	111	A328 Q336 V378 E382	A328-H332 WeakPolarHBondContact O-CB 3.49Å; A328-H332 PolarHBondContact O-N 2.97Å; H332-Q336 WeakPolarHBondContact O-CB 3.13Å; H332-Q336 PolarHBondContact O-N 3.29Å; H332-V378 HydrophobicContact CB-CG1 3.67Å; H332-E382 IonicContact CE1-OE1 2.84Å; H332-E382 PolarHBondContact CE1-OE1 3.08Å; H332-E382 IonicContact ND1-OE1 2.7Å; H332-E382 PolarHBondContact ND1-OE1 3.12Å
333	R	95.1	Very high	90.8	Very high	50 Å²	50	36.3 Å²	36.3	19%	0.189	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-40.3	179.6	-169.8	53.8	162	147.8	4	113.2	L281 V287 K297 V329 G330 F331 Q336 L337	L281-R333 HydrophobicContact CD1-CB 4.42Å; L281-R333 HydrophobicContact CD1-CG 4.22Å; V287-R333 HydrophobicContact CB-CG 4.44Å; V287-R333 HydrophobicContact CG1-CB 4.21Å; V287-R333 HydrophobicContact CG1-CG 3.92Å; V287-R333 HydrophobicContact CG2-CB 4.32Å; K297-R333 PolarHBondContact O-NH1 2.96Å; K297-R333 PolarHBondContact O-NH2 3.48Å; V329-R333 WeakPolarHBondContact O-CB 3.2Å; V329-R333 PolarHBondContact O-N 3.32Å; G330-R333 PolarHBondContact O-N 2.95Å; F331-R333 PolarHBondContact O-N 3.46Å; R333-Q336 VanDerWaalsContact NH1-CD 3.35Å; R333-Q336 WeakPolarHBondContact O-CB 3.34Å; R333-Q336 PolarHBondContact O-N 3.32Å; R333-L337 PolarHBondContact O-N 2.62Å
334	A	95.9	Very high	89.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-48.1	177.3	0	0	0	0	0	112.1	V244 I246 L281 G330 F331 Q336 L337 I338 I355	V244-A334 HydrophobicContact CB-CB 4.28Å; V244-A334 HydrophobicContact CG1-CB 3.7Å; I246-A334 HydrophobicContact CD1-CB 3.67Å; I246-A334 HydrophobicContact CG1-CB 4.27Å; L281-A334 HydrophobicContact CD1-CB 4.1Å; G330-A334 PolarHBondContact O-N 2.96Å; F331-A334 PolarHBondContact O-N 2.71Å; F331-A334 VanDerWaalsContact O-N 3.13Å; A334-Q336 VanDerWaalsContact C-N 3.3Å; A334-Q336 PolarHBondContact O-N 2.9Å; A334-L337 PolarHBondContact O-N 2.8Å; A334-I338 PolarHBondContact O-N 3.5Å; A334-I355 HydrophobicContact CB-CD1 4.02Å; A334-I355 HydrophobicContact CB-CG1 4.46Å
335	F	95.8	Very high	88.2	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-38	175.9	-81.5	-74.7	0	0	0	112.6	F331 L337 I338 R339 I355 I379 E382 N383 L386 V390 I392	F331-F335 HydrophobicContact CD1-CE2 4.38Å; F331-F335 VanDerWaalsContact O-CD2 3.25Å; F331-F335 WeakPolarHBondContact O-CD2 3.49Å; F331-F335 PolarHBondContact O-N 3.04Å; F335-L337 VanDerWaalsContact C-N 3.31Å; F335-L337 PolarHBondContact O-N 3.43Å; F335-I338 PolarHBondContact O-N 2.96Å; F335-R339 WeakPolarHBondContact O-CB 3.39Å; F335-R339 PolarHBondContact O-N 3.16Å; F335-I355 HydrophobicContact CD1-CD1 4.3Å; F335-I355 HydrophobicContact CD2-CD1 4.02Å; F335-I355 HydrophobicContact CE1-CD1 4.09Å; F335-I355 HydrophobicContact CE2-CD1 3.75Å; F335-I355 HydrophobicContact CG-CD1 4.27Å; F335-I355 HydrophobicContact CZ-CD1 3.79Å; F335-I379 HydrophobicContact CE2-CB 4.4Å; F335-I379 HydrophobicContact CE2-CG1 4.17Å; F335-I379 HydrophobicContact CE2-CG2 4.33Å; F335-I379 HydrophobicContact CZ-CG2 4.31Å; F335-E382 HydrophobicContact CB-CB 3.56Å; F335-E382 HydrophobicContact CB-CG 4.05Å; F335-E382 HydrophobicContact CD1-CB 3.99Å; F335-E382 HydrophobicContact CD2-CB 3.79Å; F335-E382 HydrophobicContact CG-CB 3.51Å; F335-E382 HydrophobicContact CG-CG 4.41Å; F335-N383 HydrophobicContact CE1-CB 3.69Å; F335-N383 HydrophobicContact CZ-CB 3.88Å; F335-L386 HydrophobicContact CD1-CD1 3.96Å; F335-V390 HydrophobicContact CD1-CG2 4.18Å; F335-V390 HydrophobicContact CE1-CB 3.69Å; F335-V390 HydrophobicContact CE1-CG1 3.83Å; F335-V390 HydrophobicContact CE1-CG2 3.72Å; F335-V390 HydrophobicContact CZ-CB 4.35Å; F335-V390 HydrophobicContact CZ-CG1 4.24Å; F335-I392 HydrophobicContact CZ-CD1 4.32Å
336	Q	93.6	Very high	86.4	Confident	70 Å²	70	47.7 Å²	47.7	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-58.6	-41.9	176.4	-168.9	-173.7	12	0	0	112.2	H332 R333 A334 S340	H332-Q336 WeakPolarHBondContact O-CB 3.13Å; H332-Q336 PolarHBondContact O-N 3.29Å; R333-Q336 VanDerWaalsContact NH1-CD 3.35Å; R333-Q336 WeakPolarHBondContact O-CB 3.34Å; R333-Q336 PolarHBondContact O-N 3.32Å; A334-Q336 VanDerWaalsContact C-N 3.3Å; A334-Q336 PolarHBondContact O-N 2.9Å; Q336-S340 WeakPolarHBondContact O-CB 3.44Å; Q336-S340 PolarHBondContact O-N 2.88Å; Q336-S340 PolarHBondContact O-OG 3.41Å
337	L	92.8	Very high	84.1	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-38.6	177.3	-69.3	175.9	0	0	0	112.9	L281 K297 L300 R333 A334 F335 S340 T341	L281-L337 HydrophobicContact CD1-CD1 4.17Å; L281-L337 HydrophobicContact CD2-CD1 4Å; L281-L337 HydrophobicContact CG-CD1 4.39Å; K297-L337 WeakPolarHBondContact O-CD2 3.32Å; L300-L337 HydrophobicContact CD2-CB 3.99Å; R333-L337 PolarHBondContact O-N 2.62Å; A334-L337 PolarHBondContact O-N 2.8Å; F335-L337 VanDerWaalsContact C-N 3.31Å; F335-L337 PolarHBondContact O-N 3.43Å; L337-S340 PolarHBondContact O-OG 3.04Å; L337-T341 WeakPolarHBondContact O-CB 3.46Å; L337-T341 PolarHBondContact O-N 3.25Å; L337-T341 PolarHBondContact O-OG1 2.94Å
338	I	92.4	Very high	82.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-45.2	177.3	-65.7	172.2	0	0	0	109.9	V244 L300 A334 F335 T341 S342 M353 I355 L386 V390	V244-I338 HydrophobicContact CG2-CD1 4.03Å; V244-I338 HydrophobicContact CG2-CG1 3.83Å; L300-I338 HydrophobicContact CD1-CG1 4.36Å; A334-I338 PolarHBondContact O-N 3.5Å; F335-I338 PolarHBondContact O-N 2.96Å; I338-T341 PolarHBondContact O-N 2.81Å; I338-S342 WeakPolarHBondContact O-CB 3.41Å; I338-S342 PolarHBondContact O-N 2.82Å; I338-S342 PolarHBondContact O-OG 3.03Å; I338-M353 HydrophobicContact CG2-CB 4.44Å; I338-M353 HydrophobicContact CG2-CG 4.26Å; I338-M353 HydrophobicContact CG2-SD 3.55Å; I338-M353 VanDerWaalsContact CG2-SD 3.55Å; I338-I355 HydrophobicContact CD1-CD1 4.12Å; I338-I355 HydrophobicContact CD1-CG1 3.81Å; I338-L386 HydrophobicContact CB-CD1 4.32Å; I338-L386 HydrophobicContact CG2-CD1 3.78Å; I338-V390 HydrophobicContact CD1-CG1 4.14Å; I338-V390 HydrophobicContact CD1-CG2 4.44Å; I338-V390 HydrophobicContact CG2-CG2 4.47Å
339	R	90.4	Very high	80.4	Confident	74 Å²	74	58.9 Å²	58.9	28%	0.279	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-46.8	-178.8	-174	175.4	70.4	-155.9	-3.8	112.8	F335 T341 S342 N343 E382 L386	F335-R339 WeakPolarHBondContact O-CB 3.39Å; F335-R339 PolarHBondContact O-N 3.16Å; R339-T341 VanDerWaalsContact C-N 3.32Å; R339-T341 PolarHBondContact O-N 3.16Å; R339-S342 PolarHBondContact O-N 3.33Å; R339-N343 PolarHBondContact O-N 3.32Å; R339-E382 IonicContact CZ-OE2 3.07Å; R339-E382 IonicContact NH1-OE2 2.67Å; R339-E382 PolarHBondContact NH1-OE2 2.82Å; R339-L386 HydrophobicContact CB-CD2 4.18Å; R339-L386 HydrophobicContact CG-CD2 4.31Å
340	S	89.2	Confident	79.3	Confident	25 Å²	25	60 Å²	60	18%	0.175	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-42.6	177.4	54.9	0	0	0	0	111.8	T298 Q336 L337 S344	T298-S340 VanDerWaalsContact O-CB 3.27Å; T298-S340 WeakPolarHBondContact O-CB 3.49Å; T298-S340 PolarHBondContact O-OG 3.17Å; Q336-S340 WeakPolarHBondContact O-CB 3.44Å; Q336-S340 PolarHBondContact O-N 2.88Å; Q336-S340 PolarHBondContact O-OG 3.41Å; L337-S340 PolarHBondContact O-OG 3.04Å; S340-S344 PolarHBondContact O-N 3.04Å; S340-S344 PolarHBondContact O-OG 3.19Å
341	T	86.4	Confident	78.9	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-43.7	178.1	-54.6	0	0	0	0	111.3	K277 L300 L337 I338 R339 N343 S344 T345	K277-T341 HydrophobicContact CD-CG2 3.81Å; L300-T341 HydrophobicContact CB-CG2 4.23Å; L300-T341 HydrophobicContact CD1-CG2 4.46Å; L300-T341 HydrophobicContact CG-CG2 4.45Å; L300-T341 PolarHBondContact N-OG1 3.24Å; L337-T341 WeakPolarHBondContact O-CB 3.46Å; L337-T341 PolarHBondContact O-N 3.25Å; L337-T341 PolarHBondContact O-OG1 2.94Å; I338-T341 PolarHBondContact O-N 2.81Å; R339-T341 VanDerWaalsContact C-N 3.32Å; R339-T341 PolarHBondContact O-N 3.16Å; T341-N343 PolarHBondContact O-N 3.22Å; T341-S344 PolarHBondContact O-N 3.3Å; T341-T345 PolarHBondContact O-N 3.28Å; T341-T345 PolarHBondContact O-OG1 2.84Å
342	S	79.9	Confident	78.5	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-31.4	-178.2	-56.2	0	0	0	0	113.2	I338 R339	I338-S342 WeakPolarHBondContact O-CB 3.41Å; I338-S342 PolarHBondContact O-N 2.82Å; I338-S342 PolarHBondContact O-OG 3.03Å; R339-S342 PolarHBondContact O-N 3.33Å
343	N	74.1	Confident	78.4	Confident	126 Å²	126	58.7 Å²	58.7	67%	0.674	30%	0.299	S	S	*	.	H	α-helix	trans	-74.1	-28.7	176	-76.5	-9	0	0	0	113.1	R339 T341	R339-N343 PolarHBondContact O-N 3.32Å; T341-N343 PolarHBondContact O-N 3.22Å
344	S	62.9	Low	78.4	Confident	80 Å²	80	56.3 Å²	56.3	56%	0.559	29%	0.29	S	S	*	.	H	α-helix	trans	-81.9	-33.4	-179.1	-63.3	0	0	0	0	113.3	S340 T341	S340-S344 PolarHBondContact O-N 3.04Å; S340-S344 PolarHBondContact O-OG 3.19Å; T341-S344 PolarHBondContact O-N 3.3Å
345	T	57.7	Low	78.4	Confident	50 Å²	50	56.3 Å²	56.3	31%	0.307	29%	0.29	S	S	.	.	S	Bend	trans	-86.7	118.1	171.1	52.3	0	0	0	0	108.6	T341 F347	T341-T345 PolarHBondContact O-N 3.28Å; T341-T345 PolarHBondContact O-OG1 2.84Å; T345-F347 PolarHBondContact O-N 3.17Å
346	R	51.6	Low	78.5	Confident	245 Å²	245	56.2 Å²	56.2	93%	0.925	29%	0.29	S	S	*	.			trans	-47.9	117	168.7	-74.9	-174.8	179.4	179.6	1.2	107.5	Q348	R346-Q348 PolarHBondContact O-N 3.06Å
347	F	43.8	Very low	78.7	Confident	144 Å²	144	53 Å²	53	63%	0.632	28%	0.275	S	S	*	.			trans	-35	106.6	-172	-114.8	-94.2	0	0	0	111.7	T345 A349	T345-F347 PolarHBondContact O-N 3.17Å; F347-A349 PolarHBondContact O-N 2.81Å
348	Q	52.7	Low	78.8	Confident	118 Å²	118	53 Å²	53	55%	0.551	28%	0.275	S	S	*	.			trans	-77	111.4	158.8	-77.5	-178.1	-17.1	0	0	105	R346 N350 T351	R346-Q348 PolarHBondContact O-N 3.06Å; Q348-N350 PolarHBondContact O-N 2.86Å; Q348-T351 HydrophobicContact CB-CG2 3.99Å
349	A	53.2	Low	78.8	Confident	101 Å²	101	53 Å²	53	84%	0.835	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	11.2	-172.8	0	0	0	0	0	114.9	F347	F347-A349 PolarHBondContact O-N 2.81Å
350	N	70.4	Confident	78.7	Confident	85 Å²	85	50 Å²	50	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	25.5	-165.8	-139.7	21.3	0	0	0	114.4	Q239 Q348 R460	Q239-N350 WeakPolarHBondContact CB-O 3.28Å; Q239-N350 VanDerWaalsContact NE2-CG 3.29Å; Q239-N350 PolarHBondContact NE2-ND2 3.32Å; Q239-N350 PolarHBondContact NE2-OD1 3.3Å; Q239-N350 VanDerWaalsContact NE2-OD1 3.1Å; Q348-N350 PolarHBondContact O-N 2.86Å; N350-R460 PolarHBondContact OD1-NH1 3.12Å
351	T	85.9	Confident	78.3	Confident	26 Å²	26	48.9 Å²	48.9	16%	0.16	26%	0.258	C	S	.	.			trans	-97.8	130.3	178	59.5	0	0	0	0	112.1	S240 Q348	S240-T351 CarbonylContact O-C 3.52Å; S240-T351 VanDerWaalsContact O-CA 3.24Å; S240-T351 WeakPolarHBondContact O-CA 3.37Å; Q348-T351 HydrophobicContact CB-CG2 3.99Å
352	D	89.8	Confident	78.1	Confident	15 Å²	15	51.8 Å²	51.8	8%	0.08	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.9	176.2	-71.1	-35.3	0	0	0	110.8	S240 K241 H242 L457	S240-D352 PolarHBondContact O-N 3.31Å; K241-D352 CarbonylContact C-O 3.53Å; K241-D352 WeakPolarHBondContact CA-O 3.44Å; K241-D352 HydrophobicContact CG-CB 4.23Å; H242-D352 PolarHBondContact N-O 3.15Å; D352-L457 HydrophobicContact CB-CD2 4.13Å
353	M	92.4	Very high	78	Confident	11 Å²	11	52.4 Å²	52.4	5%	0.054	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.7	-179.2	-55.9	-177.5	-155.6	0	0	110.6	H242 I338 V390 M391	H242-M353 HydrophobicContact CB-CG 4.36Å; I338-M353 HydrophobicContact CG2-CB 4.44Å; I338-M353 HydrophobicContact CG2-CG 4.26Å; I338-M353 HydrophobicContact CG2-SD 3.55Å; I338-M353 VanDerWaalsContact CG2-SD 3.55Å; M353-V390 HydrophobicContact CB-CG2 4.05Å; M353-V390 HydrophobicContact SD-CG2 4.29Å; M353-M391 PolarHBondContact O-N 2.73Å
354	V	94.8	Very high	77.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.9	-172.1	-169.5	0	0	0	0	111.2	H242 I243 V244 I356 M391 L393 L457	H242-V354 PolarHBondContact O-N 2.79Å; I243-V354 CarbonylContact C-O 3.28Å; I243-V354 WeakPolarHBondContact CA-O 3.33Å; V244-V354 PolarHBondContact N-O 2.85Å; V354-I356 HydrophobicContact CG1-CG1 3.95Å; V354-M391 CarbonylContact C-O 3.55Å; V354-M391 WeakPolarHBondContact CA-O 3.43Å; V354-L393 HydrophobicContact CG1-CD1 3.95Å; V354-L393 HydrophobicContact CG1-CG 4.1Å; V354-L457 HydrophobicContact CG2-CD2 3.61Å
355	I	97.5	Very high	77.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123	166	-62.2	174.5	0	0	0	107.9	V244 I246 F331 A334 F335 I338 V390 M391 I392 L393	V244-I355 HydrophobicContact CB-CG1 4.45Å; V244-I355 CarbonylContact O-C 3.57Å; V244-I355 WeakPolarHBondContact O-CA 3.26Å; I246-I355 HydrophobicContact CD1-CG2 3.65Å; I246-I355 HydrophobicContact CG1-CG2 4.24Å; F331-I355 HydrophobicContact CD1-CG2 4.39Å; F331-I355 HydrophobicContact CE1-CG2 3.99Å; A334-I355 HydrophobicContact CB-CD1 4.02Å; A334-I355 HydrophobicContact CB-CG1 4.46Å; F335-I355 HydrophobicContact CD1-CD1 4.3Å; F335-I355 HydrophobicContact CD2-CD1 4.02Å; F335-I355 HydrophobicContact CE1-CD1 4.09Å; F335-I355 HydrophobicContact CE2-CD1 3.75Å; F335-I355 HydrophobicContact CG-CD1 4.27Å; F335-I355 HydrophobicContact CZ-CD1 3.79Å; I338-I355 HydrophobicContact CD1-CD1 4.12Å; I338-I355 HydrophobicContact CD1-CG1 3.81Å; I355-V390 HydrophobicContact CD1-CG1 3.79Å; I355-V390 HydrophobicContact CG1-CG1 3.79Å; I355-M391 PolarHBondContact N-O 2.87Å; I355-I392 HydrophobicContact CB-CG1 4.39Å; I355-I392 CarbonylContact O-C 3.57Å; I355-I392 WeakPolarHBondContact O-CA 3.31Å; I355-L393 PolarHBondContact O-N 2.83Å
356	I	97.1	Very high	77.3	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.2	175.2	-59.8	176.6	0	0	0	108.3	I243 V244 V245 I246 I268 V354 L393 Y395 F453	I243-I356 HydrophobicContact CG2-CD1 3.97Å; I243-I356 HydrophobicContact CG2-CG1 4.36Å; V244-I356 PolarHBondContact O-N 3.11Å; V245-I356 CarbonylContact C-O 3.59Å; V245-I356 WeakPolarHBondContact CA-O 3.42Å; I246-I356 PolarHBondContact N-O 2.87Å; I268-I356 HydrophobicContact CD1-CB 4.4Å; I268-I356 HydrophobicContact CD1-CD1 3.78Å; I268-I356 HydrophobicContact CD1-CG2 3.74Å; I268-I356 HydrophobicContact CG1-CD1 4.2Å; I268-I356 HydrophobicContact CG2-CD1 3.99Å; V354-I356 HydrophobicContact CG1-CG1 3.95Å; I356-L393 CarbonylContact C-O 3.55Å; I356-L393 WeakPolarHBondContact CA-O 3.42Å; I356-L393 HydrophobicContact CG1-CB 4.41Å; I356-L393 HydrophobicContact CG1-CD1 4.4Å; I356-Y395 HydrophobicContact CG2-CD2 3.55Å; I356-Y395 HydrophobicContact CG2-CE2 3.56Å; I356-F453 HydrophobicContact CD1-CB 4.4Å; I356-F453 HydrophobicContact CD1-CD2 4.2Å; I356-F453 HydrophobicContact CD1-CG 4.22Å
357	Y	97.1	Very high	77.7	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.7	-176.5	-175.4	-136.1	0	0	0	112.1	I246 H327 F331 S359 L393 T394 Y395 L411 L414	I246-Y357 HydrophobicContact CB-CD2 3.72Å; I246-Y357 HydrophobicContact CB-CE2 4.35Å; I246-Y357 HydrophobicContact CG2-CD2 3.6Å; I246-Y357 HydrophobicContact CG2-CE2 3.71Å; H327-Y357 PolarHBondContact CE1-OH 3.1Å; H327-Y357 VanDerWaalsContact CE1-OH 3.26Å; H327-Y357 AromaticContact ND1-CZ 3.7Å; H327-Y357 PolarHBondContact ND1-OH 3.45Å; F331-Y357 AromaticContact CE2-CD1 3.96Å; F331-Y357 HydrophobicContact CE2-CD1 3.96Å; F331-Y357 HydrophobicContact CE2-CE1 4.06Å; F331-Y357 HydrophobicContact CE2-CG 4.31Å; F331-Y357 AromaticContact CZ-CD1 3.73Å; F331-Y357 HydrophobicContact CZ-CD1 3.73Å; F331-Y357 HydrophobicContact CZ-CE1 4.31Å; F331-Y357 AromaticContact CZ-CG 3.86Å; F331-Y357 HydrophobicContact CZ-CG 3.86Å; Y357-S359 VanDerWaalsContact CE1-CB 3.49Å; Y357-S359 VanDerWaalsContact OH-CB 3.26Å; Y357-S359 WeakPolarHBondContact OH-CB 3.24Å; Y357-S359 PolarHBondContact OH-OG 3.41Å; Y357-S359 VanDerWaalsContact OH-OG 3.12Å; Y357-L393 PolarHBondContact N-O 3.13Å; Y357-T394 HydrophobicContact CD1-CG2 4.3Å; Y357-T394 WeakPolarHBondContact O-CA 3.47Å; Y357-Y395 PolarHBondContact O-N 2.9Å; Y357-L411 HydrophobicContact CD1-CD2 4.12Å; Y357-L411 HydrophobicContact CE1-CD2 3.97Å; Y357-L414 HydrophobicContact CD1-CD1 4.29Å; Y357-L414 HydrophobicContact CE1-CD1 4.22Å
358	L	95.6	Very high	79	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.6	178.9	-68.6	155.6	0	0	0	109.1	V245 I246 L247 D248 A261 A264 A265 Y395 L397 L440	V245-L358 HydrophobicContact CG1-CD1 3.97Å; I246-L358 PolarHBondContact O-N 3.47Å; L247-L358 HydrophobicContact CD1-CD1 4.41Å; L247-L358 HydrophobicContact CG-CD1 4.08Å; D248-L358 VanDerWaalsContact CB-O 3.24Å; D248-L358 WeakPolarHBondContact CB-O 3.33Å; D248-L358 PolarHBondContact N-O 2.97Å; A261-L358 HydrophobicContact CB-CB 4.19Å; A264-L358 HydrophobicContact CB-CD1 4.3Å; A264-L358 HydrophobicContact CB-CD2 3.78Å; A265-L358 HydrophobicContact CB-CD1 4.28Å; L358-Y395 VanDerWaalsContact CD2-CB 3.48Å; L358-Y395 HydrophobicContact CD2-CD2 4.31Å; L358-Y395 HydrophobicContact CD2-CG 4.07Å; L358-L397 HydrophobicContact CD2-CD2 4.37Å; L358-L440 HydrophobicContact CD2-CD1 3.91Å
359	S	92.7	Very high	80.2	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	157.1	-176.1	176.5	0	0	0	0	113.1	D248 Y357 G361 Y395 A396 L397	D248-S359 WeakPolarHBondContact OD2-CB 3.42Å; D248-S359 PolarHBondContact OD2-OG 3.3Å; Y357-S359 VanDerWaalsContact CE1-CB 3.49Å; Y357-S359 VanDerWaalsContact OH-CB 3.26Å; Y357-S359 WeakPolarHBondContact OH-CB 3.24Å; Y357-S359 PolarHBondContact OH-OG 3.41Å; Y357-S359 VanDerWaalsContact OH-OG 3.12Å; S359-G361 VanDerWaalsContact C-N 3.29Å; S359-G361 PolarHBondContact OG-N 2.99Å; S359-Y395 PolarHBondContact N-O 2.97Å; S359-Y395 VanDerWaalsContact N-O 3.15Å; S359-A396 WeakPolarHBondContact O-CA 3.31Å; S359-L397 PolarHBondContact O-N 3.24Å
360	A	87.8	Confident	81.7	Confident	11 Å²	11	45.7 Å²	45.7	9%	0.091	24%	0.24	C	C	.	.			trans	-78.5	-10.4	168.1	0	0	0	0	0	113.1	I362	A360-I362 VanDerWaalsContact C-N 3.27Å; A360-I362 HydrophobicContact CB-CD1 3.86Å; A360-I362 HydrophobicContact CB-CG1 4.12Å; A360-I362 PolarHBondContact O-N 3.31Å
361	G	81.8	Confident	82.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	23%	0.232	C	C	.	.			trans	71.5	16.2	177.8	0	0	0	0	0	115	S359	S359-G361 VanDerWaalsContact C-N 3.29Å; S359-G361 PolarHBondContact OG-N 2.99Å
362	I	82.3	Confident	82.4	Confident	65 Å²	65	43.8 Å²	43.8	33%	0.333	23%	0.228	S	C	.	.			trans	-85.8	114.3	-176.2	-61.8	164.6	0	0	0	109.8	H327 A360 E407	H327-I362 PolarHBondContact NE2-O 3.01Å; A360-I362 VanDerWaalsContact C-N 3.27Å; A360-I362 HydrophobicContact CB-CD1 3.86Å; A360-I362 HydrophobicContact CB-CG1 4.12Å; A360-I362 PolarHBondContact O-N 3.31Å; I362-E407 HydrophobicContact CG1-CG 3.89Å
363	T	76.2	Confident	82.4	Confident	20 Å²	20	46.4 Å²	46.4	12%	0.123	24%	0.239	C	C	.	.			trans	-91.4	157.7	170.6	55.3	0	0	0	0	111.4	S368 D371 K372 F410	T363-S368 WeakPolarHBondContact OG1-CB 3.42Å; T363-D371 HydrophobicContact CG2-CB 4.41Å; T363-K372 HydrophobicContact CG2-CG 3.95Å; T363-F410 HydrophobicContact CG2-CD1 4.49Å; T363-F410 HydrophobicContact CG2-CE1 4.14Å
364	S	67.6	Low	82.3	Confident	46 Å²	46	47.5 Å²	47.5	32%	0.322	25%	0.25	S	C	.	.			trans	-58	147	-179.8	79.3	0	0	0	0	112.5	D366 S367 S368 D371	S364-D366 VanDerWaalsContact C-N 3.32Å; S364-D366 PolarHBondContact O-N 2.75Å; S364-S367 PolarHBondContact OG-OG 2.83Å; S364-S368 WeakPolarHBondContact O-CA 3.47Å; S364-S368 WeakPolarHBondContact O-CB 3.33Å; S364-S368 PolarHBondContact O-N 3.38Å; S364-D371 PolarHBondContact OG-OD2 3.27Å; S364-D371 VanDerWaalsContact OG-OD2 3.1Å
365	K	58.8	Low	82.2	Confident	202 Å²	202	47.7 Å²	47.7	88%	0.878	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.6	-170.6	-75.9	-177	177.9	176.1	0	114.2
366	D	54	Low	82	Confident	167 Å²	167	47.7 Å²	47.7	89%	0.893	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-18.1	-171.3	-60.1	-37	0	0	0	113.9	S364	S364-D366 VanDerWaalsContact C-N 3.32Å; S364-D366 PolarHBondContact O-N 2.75Å
367	S	60	Low	81.8	Confident	48 Å²	48	52.3 Å²	52.3	34%	0.336	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	19.2	-179.2	56.7	0	0	0	0	115	S364 E369 E370 D371	S364-S367 PolarHBondContact OG-OG 2.83Å; S367-E369 VanDerWaalsContact C-N 3.32Å; S367-E369 PolarHBondContact O-N 2.97Å; S367-E370 PolarHBondContact O-N 3.06Å; S367-D371 PolarHBondContact O-N 2.85Å; S367-D371 PolarHBondContact OG-OD1 3.36Å; S367-D371 PolarHBondContact OG-OD2 3.35Å
368	S	71.1	Confident	81.6	Confident	37 Å²	37	53.5 Å²	53.5	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-49.8	-38.4	-168.2	66.3	0	0	0	0	116.6	T363 S364 K372	T363-S368 WeakPolarHBondContact OG1-CB 3.42Å; S364-S368 WeakPolarHBondContact O-CA 3.47Å; S364-S368 WeakPolarHBondContact O-CB 3.33Å; S364-S368 PolarHBondContact O-N 3.38Å; S368-K372 WeakPolarHBondContact O-CD 3.46Å; S368-K372 WeakPolarHBondContact O-CE 3.29Å; S368-K372 WeakPolarHBondContact O-CG 3.35Å; S368-K372 PolarHBondContact O-N 3.01Å
369	E	79.2	Confident	81.6	Confident	108 Å²	108	53.6 Å²	53.6	51%	0.505	28%	0.277	S	S	.	.	H	α-helix	trans	-81.5	-32.9	-178.7	-67.7	-55.5	132.4	0	0	113.3	S367 K372 K373	S367-E369 VanDerWaalsContact C-N 3.32Å; S367-E369 PolarHBondContact O-N 2.97Å; E369-K372 IonicContact OE1-NZ 3.52Å; E369-K372 PolarHBondContact OE1-NZ 3.28Å; E369-K373 WeakPolarHBondContact O-CB 3.47Å; E369-K373 PolarHBondContact O-N 2.92Å
370	E	82.8	Confident	81.6	Confident	115 Å²	115	54.5 Å²	54.5	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-70.3	-38.2	175.8	-160.5	66.8	-155.5	0	0	110.2	S367 K373 A374	S367-E370 PolarHBondContact O-N 3.06Å; E370-K373 PolarHBondContact O-N 2.93Å; E370-A374 VanDerWaalsContact O-CB 3.31Å; E370-A374 WeakPolarHBondContact O-CB 3.35Å; E370-A374 PolarHBondContact O-N 2.65Å
371	D	83.6	Confident	81.8	Confident	53 Å²	53	58.6 Å²	58.6	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-42.5	176.4	-67.2	-20.9	0	0	0	112	T363 S364 S367 A374 T375	T363-D371 HydrophobicContact CG2-CB 4.41Å; S364-D371 PolarHBondContact OG-OD2 3.27Å; S364-D371 VanDerWaalsContact OG-OD2 3.1Å; S367-D371 PolarHBondContact O-N 2.85Å; S367-D371 PolarHBondContact OG-OD1 3.36Å; S367-D371 PolarHBondContact OG-OD2 3.35Å; D371-A374 PolarHBondContact O-N 3.44Å; D371-T375 WeakPolarHBondContact O-CB 3.33Å; D371-T375 PolarHBondContact O-N 3.27Å; D371-T375 PolarHBondContact O-OG1 3.32Å
372	K	88.1	Confident	82.3	Confident	18 Å²	18	59.4 Å²	59.4	8%	0.078	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-45.6	174.4	-68.7	169.8	-165	170.3	0	111.3	T363 S368 E369 T375 L376 F410 Y422	T363-K372 HydrophobicContact CG2-CG 3.95Å; S368-K372 WeakPolarHBondContact O-CD 3.46Å; S368-K372 WeakPolarHBondContact O-CE 3.29Å; S368-K372 WeakPolarHBondContact O-CG 3.35Å; S368-K372 PolarHBondContact O-N 3.01Å; E369-K372 IonicContact OE1-NZ 3.52Å; E369-K372 PolarHBondContact OE1-NZ 3.28Å; K372-T375 PolarHBondContact O-N 3.35Å; K372-L376 PolarHBondContact O-N 2.93Å; K372-F410 HydrophobicContact CB-CD2 3.99Å; K372-F410 HydrophobicContact CB-CE2 3.69Å; K372-F410 HydrophobicContact CB-CZ 4.33Å; K372-F410 HydrophobicContact CD-CB 4.48Å; K372-F410 HydrophobicContact CD-CD2 3.99Å; K372-F410 HydrophobicContact CD-CE2 4.46Å; K372-F410 HydrophobicContact CD-CG 4.21Å; K372-F410 HydrophobicContact CG-CD1 4.37Å; K372-F410 HydrophobicContact CG-CD2 3.57Å; K372-F410 HydrophobicContact CG-CE1 4.35Å; K372-F410 HydrophobicContact CG-CE2 3.55Å; K372-F410 HydrophobicContact CG-CG 3.99Å; K372-F410 HydrophobicContact CG-CZ 3.95Å; K372-Y422 HydrophobicContact CB-CD1 4.39Å; K372-Y422 HydrophobicContact CB-CE1 3.76Å; K372-Y422 HydrophobicContact CD-CE1 4.3Å
373	K	90.1	Very high	82.7	Confident	69 Å²	69	56.3 Å²	56.3	30%	0.3	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-40.8	177.6	-173.6	-179.6	-175.5	-177.5	0	111.9	E369 E370 R377 I424	E369-K373 WeakPolarHBondContact O-CB 3.47Å; E369-K373 PolarHBondContact O-N 2.92Å; E370-K373 PolarHBondContact O-N 2.93Å; K373-R377 WeakPolarHBondContact O-CB 3.32Å; K373-R377 PolarHBondContact O-N 2.83Å; K373-I424 HydrophobicContact CG-CD1 4.35Å; K373-I424 HydrophobicContact CG-CG1 4.43Å
374	A	90.7	Very high	83.3	Confident	35 Å²	35	56 Å²	56	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.8	0	0	0	0	0	111.3	E370 D371 R377 V378	E370-A374 VanDerWaalsContact O-CB 3.31Å; E370-A374 WeakPolarHBondContact O-CB 3.35Å; E370-A374 PolarHBondContact O-N 2.65Å; D371-A374 PolarHBondContact O-N 3.44Å; A374-R377 WeakPolarHBondContact O-CB 3.41Å; A374-R377 PolarHBondContact O-N 2.95Å; A374-V378 WeakPolarHBondContact O-CG2 3.48Å; A374-V378 PolarHBondContact O-N 3.28Å; A374-V378 VanDerWaalsContact O-N 3.12Å
375	T	92.4	Very high	84.3	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-48.8	178.8	-54.7	0	0	0	0	112	H327 A328 F331 D371 K372 R377 V378 I379 F410 L414	H327-T375 HydrophobicContact CB-CG2 3.84Å; H327-T375 WeakPolarHBondContact CB-OG1 3.43Å; A328-T375 PolarHBondContact N-OG1 3.4Å; F331-T375 HydrophobicContact CD2-CG2 3.71Å; F331-T375 HydrophobicContact CE2-CG2 4.11Å; D371-T375 WeakPolarHBondContact O-CB 3.33Å; D371-T375 PolarHBondContact O-N 3.27Å; D371-T375 PolarHBondContact O-OG1 3.32Å; K372-T375 PolarHBondContact O-N 3.35Å; T375-R377 VanDerWaalsContact C-N 3.3Å; T375-R377 PolarHBondContact O-N 2.97Å; T375-V378 PolarHBondContact O-N 3.43Å; T375-I379 HydrophobicContact CG2-CD1 4.27Å; T375-I379 WeakPolarHBondContact O-CG1 3.42Å; T375-I379 PolarHBondContact O-N 2.9Å; T375-I379 VanDerWaalsContact O-N 3.1Å; T375-F410 HydrophobicContact CG2-CZ 4.39Å; T375-L414 HydrophobicContact CG2-CD2 3.9Å
376	L	92.5	Very high	85.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-29	177.9	-82.2	163.1	0	0	0	113.2	K372 I379 N380 L414 Y422 I424	K372-L376 PolarHBondContact O-N 2.93Å; L376-I379 PolarHBondContact O-N 3.4Å; L376-N380 VanDerWaalsContact O-CB 3.29Å; L376-N380 WeakPolarHBondContact O-CB 3.38Å; L376-N380 PolarHBondContact O-N 3.48Å; L376-L414 HydrophobicContact CD2-CD2 4.01Å; L376-L414 HydrophobicContact CG-CD2 4Å; L376-Y422 HydrophobicContact CD1-CD1 4.34Å; L376-Y422 HydrophobicContact CD1-CD2 3.09Å; L376-Y422 HydrophobicContact CD1-CE1 4.37Å; L376-Y422 HydrophobicContact CD1-CE2 3.12Å; L376-Y422 HydrophobicContact CD1-CG 3.73Å; L376-I424 HydrophobicContact CB-CD1 3.75Å
377	R	93.1	Very high	87.3	Confident	97 Å²	97	48.5 Å²	48.5	37%	0.366	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-47.6	173.3	-174.5	-175.6	-54.7	161.2	9.4	110.8	K373 A374 T375 I379 N380 E381 I424	K373-R377 WeakPolarHBondContact O-CB 3.32Å; K373-R377 PolarHBondContact O-N 2.83Å; A374-R377 WeakPolarHBondContact O-CB 3.41Å; A374-R377 PolarHBondContact O-N 2.95Å; T375-R377 VanDerWaalsContact C-N 3.3Å; T375-R377 PolarHBondContact O-N 2.97Å; R377-I379 VanDerWaalsContact C-N 3.35Å; R377-I379 PolarHBondContact O-N 3.46Å; R377-N380 PolarHBondContact O-N 2.89Å; R377-E381 WeakPolarHBondContact CG-OE1 3.43Å; R377-E381 WeakPolarHBondContact O-CB 3.16Å; R377-E381 WeakPolarHBondContact O-CG 3.38Å; R377-E381 PolarHBondContact O-N 2.97Å; R377-I424 HydrophobicContact CB-CD1 4.13Å
378	V	94.5	Very high	88.7	Confident	28 Å²	28	46.3 Å²	46.3	17%	0.17	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-46.4	176.3	169.7	0	0	0	0	111	A328 F331 H332 A374 T375 N380 E381 E382	A328-V378 HydrophobicContact CB-CG2 4.24Å; F331-V378 HydrophobicContact CB-CG1 4.46Å; H332-V378 HydrophobicContact CB-CG1 3.67Å; A374-V378 WeakPolarHBondContact O-CG2 3.48Å; A374-V378 PolarHBondContact O-N 3.28Å; A374-V378 VanDerWaalsContact O-N 3.12Å; T375-V378 PolarHBondContact O-N 3.43Å; V378-N380 PolarHBondContact O-N 2.96Å; V378-E381 PolarHBondContact O-N 3.28Å; V378-E382 HydrophobicContact CG1-CG 4.23Å; V378-E382 WeakPolarHBondContact O-CB 3.31Å; V378-E382 WeakPolarHBondContact O-CG 3.27Å; V378-E382 PolarHBondContact O-N 3.31Å
379	I	94.5	Very high	89.6	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-47.4	178.8	-68.2	168.2	0	0	0	111	F331 F335 T375 L376 R377 N383 I392 L414 Q417	F331-I379 HydrophobicContact CB-CG1 4.08Å; F331-I379 HydrophobicContact CD1-CD1 4Å; F331-I379 HydrophobicContact CD1-CG1 3.97Å; F331-I379 HydrophobicContact CD2-CD1 4.1Å; F331-I379 HydrophobicContact CD2-CG1 4.45Å; F331-I379 HydrophobicContact CE1-CD1 4.13Å; F331-I379 HydrophobicContact CE2-CD1 4.23Å; F331-I379 HydrophobicContact CG-CD1 3.98Å; F331-I379 HydrophobicContact CG-CG1 3.91Å; F331-I379 HydrophobicContact CZ-CD1 4.25Å; F335-I379 HydrophobicContact CE2-CB 4.4Å; F335-I379 HydrophobicContact CE2-CG1 4.17Å; F335-I379 HydrophobicContact CE2-CG2 4.33Å; F335-I379 HydrophobicContact CZ-CG2 4.31Å; T375-I379 HydrophobicContact CG2-CD1 4.27Å; T375-I379 WeakPolarHBondContact O-CG1 3.42Å; T375-I379 PolarHBondContact O-N 2.9Å; T375-I379 VanDerWaalsContact O-N 3.1Å; L376-I379 PolarHBondContact O-N 3.4Å; R377-I379 VanDerWaalsContact C-N 3.35Å; R377-I379 PolarHBondContact O-N 3.46Å; I379-N383 WeakPolarHBondContact O-CB 3.36Å; I379-N383 PolarHBondContact O-N 3.02Å; I379-I392 HydrophobicContact CD1-CD1 3.99Å; I379-I392 HydrophobicContact CG1-CD1 4.2Å; I379-I392 HydrophobicContact CG2-CD1 3.64Å; I379-L414 HydrophobicContact CD1-CD2 3.54Å; I379-Q417 HydrophobicContact CG2-CG 4.23Å
380	N	92.6	Very high	90.2	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-41.9	-178.9	-171.9	72.8	0	0	0	112.4	L376 R377 V378 G384 S419 I424 P425	L376-N380 VanDerWaalsContact O-CB 3.29Å; L376-N380 WeakPolarHBondContact O-CB 3.38Å; L376-N380 PolarHBondContact O-N 3.48Å; R377-N380 PolarHBondContact O-N 2.89Å; V378-N380 PolarHBondContact O-N 2.96Å; N380-G384 PolarHBondContact O-N 3.12Å; N380-S419 PolarHBondContact OD1-OG 3.23Å; N380-I424 HydrophobicContact CB-CG2 4.3Å; N380-P425 PolarHBondContact ND2-O 2.77Å
381	E	91.6	Very high	90.8	Very high	97 Å²	97	36.2 Å²	36.2	45%	0.453	19%	0.185	S	C	.	.	H	α-helix	trans	-70.5	-48.3	178.7	-71.7	173.9	-178.4	0	0	112	R377 V378 G384 F385	R377-E381 WeakPolarHBondContact CG-OE1 3.43Å; R377-E381 WeakPolarHBondContact O-CB 3.16Å; R377-E381 WeakPolarHBondContact O-CG 3.38Å; R377-E381 PolarHBondContact O-N 2.97Å; V378-E381 PolarHBondContact O-N 3.28Å; E381-G384 PolarHBondContact O-N 3.14Å; E381-F385 VanDerWaalsContact O-CD2 3.31Å; E381-F385 WeakPolarHBondContact O-CD2 3.19Å; E381-F385 PolarHBondContact O-N 3.16Å
382	E	92.3	Very high	91.4	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-72.3	-38.8	-176.2	-68.7	-66	166.8	0	0	113.1	H332 F335 R339 V378 G384 F385	H332-E382 IonicContact CE1-OE1 2.84Å; H332-E382 PolarHBondContact CE1-OE1 3.08Å; H332-E382 IonicContact ND1-OE1 2.7Å; H332-E382 PolarHBondContact ND1-OE1 3.12Å; F335-E382 HydrophobicContact CB-CB 3.56Å; F335-E382 HydrophobicContact CB-CG 4.05Å; F335-E382 HydrophobicContact CD1-CB 3.99Å; F335-E382 HydrophobicContact CD2-CB 3.79Å; F335-E382 HydrophobicContact CG-CB 3.51Å; F335-E382 HydrophobicContact CG-CG 4.41Å; R339-E382 IonicContact CZ-OE2 3.07Å; R339-E382 IonicContact NH1-OE2 2.67Å; R339-E382 PolarHBondContact NH1-OE2 2.82Å; V378-E382 HydrophobicContact CG1-CG 4.23Å; V378-E382 WeakPolarHBondContact O-CB 3.31Å; V378-E382 WeakPolarHBondContact O-CG 3.27Å; V378-E382 PolarHBondContact O-N 3.31Å; E382-G384 VanDerWaalsContact C-N 3.25Å; E382-G384 PolarHBondContact O-N 3.49Å; E382-F385 PolarHBondContact O-N 3.4Å
383	N	91.1	Very high	91.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-30.9	174.8	-158.6	13.1	0	0	0	111.4	F335 I379 F385 L386 N387 N388 V390 Q417	F335-N383 HydrophobicContact CE1-CB 3.69Å; F335-N383 HydrophobicContact CZ-CB 3.88Å; I379-N383 WeakPolarHBondContact O-CB 3.36Å; I379-N383 PolarHBondContact O-N 3.02Å; N383-F385 VanDerWaalsContact C-N 3.28Å; N383-F385 PolarHBondContact O-N 3.12Å; N383-L386 CarbonylContact O-C 3.58Å; N383-L386 WeakPolarHBondContact O-CA 3.41Å; N383-L386 PolarHBondContact O-N 3.26Å; N383-N387 PolarHBondContact O-N 3.09Å; N383-N388 PolarHBondContact O-N 2.9Å; N383-N388 PolarHBondContact O-OD1 2.94Å; N383-N388 WeakPolarHBondContact OD1-CA 3.45Å; N383-V390 PolarHBondContact ND2-O 2.88Å; N383-V390 WeakPolarHBondContact OD1-CB 3.28Å; N383-V390 PolarHBondContact OD1-N 3.48Å; N383-V390 VanDerWaalsContact OD1-N 3.14Å; N383-Q417 PolarHBondContact ND2-OE1 3.2Å
384	G	89.1	Confident	92.1	Very high	15 Å²	15	29.6 Å²	29.6	16%	0.155	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-34.7	173.9	0	0	0	0	0	113.5	N380 E381 E382 L386 N387 N388	N380-G384 PolarHBondContact O-N 3.12Å; E381-G384 PolarHBondContact O-N 3.14Å; E382-G384 VanDerWaalsContact C-N 3.25Å; E382-G384 PolarHBondContact O-N 3.49Å; G384-L386 PolarHBondContact O-N 3.29Å; G384-N387 PolarHBondContact O-N 2.73Å; G384-N388 WeakPolarHBondContact CA-OD1 3.48Å; G384-N388 PolarHBondContact N-OD1 2.92Å
385	F	88.7	Confident	92.2	Very high	136 Å²	136	28 Å²	28	60%	0.596	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.3	172.6	-66.2	-56.2	0	0	0	113.7	E381 E382 N383	E381-F385 VanDerWaalsContact O-CD2 3.31Å; E381-F385 WeakPolarHBondContact O-CD2 3.19Å; E381-F385 PolarHBondContact O-N 3.16Å; E382-F385 PolarHBondContact O-N 3.4Å; N383-F385 VanDerWaalsContact C-N 3.28Å; N383-F385 PolarHBondContact O-N 3.12Å
386	L	87.9	Confident	92.2	Very high	13 Å²	13	28 Å²	28	7%	0.068	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	23.4	178.1	-64.6	173.2	0	0	0	111.8	F335 I338 R339 N383 G384 N388 S389 V390	F335-L386 HydrophobicContact CD1-CD1 3.96Å; I338-L386 HydrophobicContact CB-CD1 4.32Å; I338-L386 HydrophobicContact CG2-CD1 3.78Å; R339-L386 HydrophobicContact CB-CD2 4.18Å; R339-L386 HydrophobicContact CG-CD2 4.31Å; N383-L386 CarbonylContact O-C 3.58Å; N383-L386 WeakPolarHBondContact O-CA 3.41Å; N383-L386 PolarHBondContact O-N 3.26Å; G384-L386 PolarHBondContact O-N 3.29Å; L386-N388 PolarHBondContact O-N 3.29Å; L386-S389 WeakPolarHBondContact O-CB 3.42Å; L386-S389 PolarHBondContact O-N 3.45Å; L386-S389 VanDerWaalsContact O-N 3.15Å; L386-S389 PolarHBondContact O-OG 3.2Å; L386-V390 HydrophobicContact CB-CG2 4.28Å; L386-V390 HydrophobicContact CD1-CG2 3.51Å
387	N	88.3	Confident	92	Very high	108 Å²	108	28 Å²	28	58%	0.578	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.9	-179.5	-64.2	-27.3	0	0	0	113.3	N383 G384 S389 L430	N383-N387 PolarHBondContact O-N 3.09Å; G384-N387 PolarHBondContact O-N 2.73Å; N387-S389 PolarHBondContact O-N 3.09Å; N387-L430 HydrophobicContact CB-CD1 3.82Å
388	N	89.7	Confident	91.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	30	-178.1	-64.1	-20.7	0	0	0	115.1	N383 G384 L386 T428 L430 V432	N383-N388 PolarHBondContact O-N 2.9Å; N383-N388 PolarHBondContact O-OD1 2.94Å; N383-N388 WeakPolarHBondContact OD1-CA 3.45Å; G384-N388 WeakPolarHBondContact CA-OD1 3.48Å; G384-N388 PolarHBondContact N-OD1 2.92Å; L386-N388 PolarHBondContact O-N 3.29Å; N388-T428 PolarHBondContact ND2-OG1 3.37Å; N388-L430 PolarHBondContact ND2-O 3.43Å; N388-V432 HydrophobicContact CB-CG2 4.24Å
389	S	88.5	Confident	90.5	Very high	40 Å²	40	26 Å²	26	28%	0.28	14%	0.135	S	C	.	.			trans	-84	-9.9	-177.5	60	0	0	0	0	114.8	L386 N387	L386-S389 WeakPolarHBondContact O-CB 3.42Å; L386-S389 PolarHBondContact O-N 3.45Å; L386-S389 VanDerWaalsContact O-N 3.15Å; L386-S389 PolarHBondContact O-OG 3.2Å; N387-S389 PolarHBondContact O-N 3.09Å
390	V	92.4	Very high	89	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.2	-177.6	-173.8	0	0	0	0	111.3	F335 I338 M353 I355 N383 L386 Q417	F335-V390 HydrophobicContact CD1-CG2 4.18Å; F335-V390 HydrophobicContact CE1-CB 3.69Å; F335-V390 HydrophobicContact CE1-CG1 3.83Å; F335-V390 HydrophobicContact CE1-CG2 3.72Å; F335-V390 HydrophobicContact CZ-CB 4.35Å; F335-V390 HydrophobicContact CZ-CG1 4.24Å; I338-V390 HydrophobicContact CD1-CG1 4.14Å; I338-V390 HydrophobicContact CD1-CG2 4.44Å; I338-V390 HydrophobicContact CG2-CG2 4.47Å; M353-V390 HydrophobicContact CB-CG2 4.05Å; M353-V390 HydrophobicContact SD-CG2 4.29Å; I355-V390 HydrophobicContact CD1-CG1 3.79Å; I355-V390 HydrophobicContact CG1-CG1 3.79Å; N383-V390 PolarHBondContact ND2-O 2.88Å; N383-V390 WeakPolarHBondContact OD1-CB 3.28Å; N383-V390 PolarHBondContact OD1-N 3.48Å; N383-V390 VanDerWaalsContact OD1-N 3.14Å; L386-V390 HydrophobicContact CB-CG2 4.28Å; L386-V390 HydrophobicContact CD1-CG2 3.51Å; V390-Q417 PolarHBondContact O-NE2 2.88Å
391	M	94.6	Very high	87.3	Confident	9 Å²	9	34.6 Å²	34.6	4%	0.044	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.9	172.9	-177.4	-177.6	-69	0	0	110.9	M353 V354 I355 L393 I433 N456 L457	M353-M391 PolarHBondContact O-N 2.73Å; V354-M391 CarbonylContact C-O 3.55Å; V354-M391 WeakPolarHBondContact CA-O 3.43Å; I355-M391 PolarHBondContact N-O 2.87Å; M391-L393 HydrophobicContact CG-CD2 4.28Å; M391-L393 HydrophobicContact SD-CD2 4.05Å; M391-I433 HydrophobicContact CB-CG2 4.23Å; M391-I433 HydrophobicContact CE-CG2 3.46Å; M391-I433 VanDerWaalsContact CE-CG2 3.46Å; M391-I433 HydrophobicContact CG-CG2 4.44Å; M391-N456 VanDerWaalsContact CE-O 3.22Å; M391-N456 WeakPolarHBondContact CE-O 3.5Å; M391-N456 HydrophobicContact SD-CB 4.11Å; M391-L457 HydrophobicContact SD-CD2 4.3Å
392	I	96.4	Very high	85.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.4	177.6	-56	-179.5	0	0	0	109.8	F331 F335 I355 I379 T394 A415 Q417 G435	F331-I392 HydrophobicContact CD1-CD1 4.36Å; F331-I392 HydrophobicContact CE1-CD1 3.98Å; F331-I392 HydrophobicContact CE1-CG2 3.96Å; F331-I392 HydrophobicContact CZ-CG2 4.31Å; F335-I392 HydrophobicContact CZ-CD1 4.32Å; I355-I392 HydrophobicContact CB-CG1 4.39Å; I355-I392 CarbonylContact O-C 3.57Å; I355-I392 WeakPolarHBondContact O-CA 3.31Å; I379-I392 HydrophobicContact CD1-CD1 3.99Å; I379-I392 HydrophobicContact CG1-CD1 4.2Å; I379-I392 HydrophobicContact CG2-CD1 3.64Å; I392-T394 HydrophobicContact CG2-CG2 4.09Å; I392-A415 WeakPolarHBondContact O-CA 3.27Å; I392-Q417 HydrophobicContact CD1-CG 4.06Å; I392-Q417 HydrophobicContact CG1-CG 4.45Å; I392-G435 WeakPolarHBondContact O-CA 3.38Å
393	L	96.6	Very high	84.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.4	172.5	-58.4	-178.9	0	0	0	109.1	V354 I355 I356 Y357 M391 Y395 F453 N456	V354-L393 HydrophobicContact CG1-CD1 3.95Å; V354-L393 HydrophobicContact CG1-CG 4.1Å; I355-L393 PolarHBondContact O-N 2.83Å; I356-L393 CarbonylContact C-O 3.55Å; I356-L393 WeakPolarHBondContact CA-O 3.42Å; I356-L393 HydrophobicContact CG1-CB 4.41Å; I356-L393 HydrophobicContact CG1-CD1 4.4Å; Y357-L393 PolarHBondContact N-O 3.13Å; M391-L393 HydrophobicContact CG-CD2 4.28Å; M391-L393 HydrophobicContact SD-CD2 4.05Å; L393-Y395 HydrophobicContact CB-CE2 4.27Å; L393-F453 HydrophobicContact CD1-CB 3.96Å; L393-N456 HydrophobicContact CD1-CB 4.48Å; L393-N456 HydrophobicContact CD2-CB 3.75Å
394	T	95.8	Very high	83.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.3	178.4	57.9	0	0	0	0	110.8	Y357 I392 L411 L414 A415 S436 M437 M438	Y357-T394 HydrophobicContact CD1-CG2 4.3Å; Y357-T394 WeakPolarHBondContact O-CA 3.47Å; I392-T394 HydrophobicContact CG2-CG2 4.09Å; T394-L411 WeakPolarHBondContact CG2-O 3.34Å; T394-L411 PolarHBondContact OG1-O 2.82Å; T394-L414 HydrophobicContact CG2-CB 4.08Å; T394-A415 HydrophobicContact CG2-CB 4.11Å; T394-S436 PolarHBondContact N-O 3.2Å; T394-S436 VanDerWaalsContact N-O 3.14Å; T394-M437 CarbonylContact O-C 3.54Å; T394-M437 VanDerWaalsContact O-CA 3.26Å; T394-M437 WeakPolarHBondContact O-CA 3.39Å; T394-M437 WeakPolarHBondContact OG1-CA 3.34Å; T394-M437 VanDerWaalsContact OG1-CB 3.29Å; T394-M437 WeakPolarHBondContact OG1-CB 2.97Å; T394-M437 WeakPolarHBondContact OG1-CG 3.37Å; T394-M438 PolarHBondContact O-N 3.01Å
395	Y	94.1	Very high	82.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	105.1	175.7	-72.8	-83.6	0	0	0	108.4	I356 Y357 L358 S359 L393 L397 M438 L440 V450	I356-Y395 HydrophobicContact CG2-CD2 3.55Å; I356-Y395 HydrophobicContact CG2-CE2 3.56Å; Y357-Y395 PolarHBondContact O-N 2.9Å; L358-Y395 VanDerWaalsContact CD2-CB 3.48Å; L358-Y395 HydrophobicContact CD2-CD2 4.31Å; L358-Y395 HydrophobicContact CD2-CG 4.07Å; S359-Y395 PolarHBondContact N-O 2.97Å; S359-Y395 VanDerWaalsContact N-O 3.15Å; L393-Y395 HydrophobicContact CB-CE2 4.27Å; Y395-L397 PolarHBondContact O-N 2.99Å; Y395-M438 CarbonylContact C-O 3.44Å; Y395-M438 WeakPolarHBondContact CA-O 3.38Å; Y395-M438 HydrophobicContact CD1-CB 3.76Å; Y395-M438 HydrophobicContact CE1-CB 3.82Å; Y395-M438 HydrophobicContact CE1-CG 4.19Å; Y395-M438 HydrophobicContact CE1-SD 3.64Å; Y395-L440 HydrophobicContact CD1-CD1 3.93Å; Y395-L440 HydrophobicContact CD1-CD2 4.01Å; Y395-L440 HydrophobicContact CD1-CG 3.99Å; Y395-L440 HydrophobicContact CG-CD1 4.17Å; Y395-V450 HydrophobicContact CD1-CG2 4.03Å; Y395-V450 HydrophobicContact CE1-CB 4.29Å; Y395-V450 HydrophobicContact CE1-CG1 4.4Å; Y395-V450 HydrophobicContact CE1-CG2 3.82Å; Y395-V450 HydrophobicContact CE2-CG1 4.43Å
396	A	91.4	Very high	82	Confident	2 Å²	2	46.8 Å²	46.8	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.6	-178.5	0	0	0	0	0	110.5	S359 L408 L411 M438 V439 L440	S359-A396 WeakPolarHBondContact O-CA 3.31Å; A396-L408 HydrophobicContact CB-CD2 3.55Å; A396-L411 HydrophobicContact CB-CD1 3.53Å; A396-M438 PolarHBondContact N-O 3.45Å; A396-V439 HydrophobicContact CB-CG2 4.36Å; A396-L440 PolarHBondContact O-N 2.8Å
397	L	89.6	Confident	81.7	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.9	179	-57	171.6	0	0	0	109.7	V253 Q257 I260 A261 L358 S359 Y395 L440	V253-L397 HydrophobicContact CG1-CD1 4.46Å; Q257-L397 HydrophobicContact CB-CB 3.99Å; Q257-L397 HydrophobicContact CB-CD1 4.44Å; Q257-L397 HydrophobicContact CG-CB 4.03Å; Q257-L397 PolarHBondContact NE2-O 3.21Å; I260-L397 HydrophobicContact CB-CD2 4.49Å; I260-L397 HydrophobicContact CG2-CD2 4.03Å; A261-L397 HydrophobicContact CB-CD1 3.76Å; A261-L397 HydrophobicContact CB-CD2 3.96Å; L358-L397 HydrophobicContact CD2-CD2 4.37Å; S359-L397 PolarHBondContact O-N 3.24Å; Y395-L397 PolarHBondContact O-N 2.99Å; L397-L440 HydrophobicContact CD2-CD1 4.32Å
398	M	82.4	Confident	81.7	Confident	30 Å²	30	45.6 Å²	45.6	15%	0.148	27%	0.269	C	S	.	.			trans	-128	145	-176.1	-79.1	-167.5	38.7	0	0	112.4	V402 T403 L408 V439 L440	M398-V402 WeakPolarHBondContact CE-O 3.41Å; M398-T403 HydrophobicContact CE-CG2 4.07Å; M398-L408 HydrophobicContact SD-CD1 4.02Å; M398-L408 HydrophobicContact SD-CD2 3.97Å; M398-L408 HydrophobicContact SD-CG 4.33Å; M398-V439 HydrophobicContact CB-CG1 4.17Å; M398-V439 HydrophobicContact CE-CG1 4.48Å; M398-V439 HydrophobicContact CG-CG1 4.08Å; M398-V439 HydrophobicContact SD-CG1 3.67Å; M398-L440 PolarHBondContact N-O 3.44Å
399	N	74	Confident	81.6	Confident	52 Å²	52	46.8 Å²	46.8	28%	0.278	28%	0.279	S	S	.	.			trans	-87.9	149	167.2	-72.3	-25.2	0	0	0	109.8	T254 T256 G401 V402	T254-N399 PolarHBondContact OG1-ND2 3Å; T254-N399 PolarHBondContact OG1-OD1 2.97Å; T256-N399 PolarHBondContact OG1-OD1 3.34Å; N399-G401 PolarHBondContact O-N 2.95Å; N399-V402 PolarHBondContact O-N 2.88Å
400	D	61.8	Low	81.7	Confident	114 Å²	114	44.9 Å²	44.9	61%	0.61	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	123.7	179	-78.7	-29.1	0	0	0	111.3
401	G	57.3	Low	81.7	Confident	87 Å²	87	45 Å²	45	90%	0.897	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	2.2	173.4	0	0	0	0	0	117.4	N399	N399-G401 PolarHBondContact O-N 2.95Å
402	V	60.4	Low	81.6	Confident	98 Å²	98	50.3 Å²	50.3	59%	0.594	29%	0.286	S	S	*	.			trans	-118	101.5	-179.1	-175.6	0	0	0	0	112	M398 N399	M398-V402 WeakPolarHBondContact CE-O 3.41Å; N399-V402 PolarHBondContact O-N 2.88Å
403	T	57.9	Low	81.5	Confident	104 Å²	104	50.5 Å²	50.5	64%	0.638	29%	0.287	S	S	*	.			trans	-95.7	98.1	176.4	53.9	0	0	0	0	112.3	M398 L405	M398-T403 HydrophobicContact CE-CG2 4.07Å; T403-L405 PolarHBondContact O-N 2.63Å; T403-L405 VanDerWaalsContact O-N 3.16Å
404	G	67.7	Low	81.4	Confident	24 Å²	24	50.4 Å²	50.4	25%	0.247	29%	0.287	C	S	.	.			trans	-75.7	89.9	166.8	0	0	0	0	0	111.6	K406 E407 L408	G404-K406 VanDerWaalsContact C-N 3.26Å; G404-K406 PolarHBondContact O-N 3.02Å; G404-E407 WeakPolarHBondContact CA-OE2 3.48Å; G404-E407 PolarHBondContact O-N 2.95Å; G404-L408 WeakPolarHBondContact O-CG 3.48Å; G404-L408 PolarHBondContact O-N 3.1Å; G404-L408 VanDerWaalsContact O-N 3.14Å
405	L	75.7	Confident	81.3	Confident	139 Å²	139	50.5 Å²	50.5	73%	0.728	29%	0.287	S	S	*	.	H	α-helix	trans	-61.4	-29.5	-176.6	-80.7	159.5	0	0	0	113.7	T403 A409	T403-L405 PolarHBondContact O-N 2.63Å; T403-L405 VanDerWaalsContact O-N 3.16Å; L405-A409 WeakPolarHBondContact O-CB 3.48Å; L405-A409 PolarHBondContact O-N 2.86Å
406	K	79	Confident	81.4	Confident	157 Å²	157	53.8 Å²	53.8	68%	0.683	30%	0.303	S	S	*	.	H	α-helix	trans	-79.5	-39.2	-177.9	-70.2	-176.1	178.9	-178.8	0	111.9	G404 A409 F410	G404-K406 VanDerWaalsContact C-N 3.26Å; G404-K406 PolarHBondContact O-N 3.02Å; K406-A409 PolarHBondContact O-N 3.04Å; K406-F410 PolarHBondContact O-N 3.41Å; K406-F410 VanDerWaalsContact O-N 3.15Å
407	E	82.6	Confident	81.4	Confident	64 Å²	64	54.3 Å²	54.3	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-68.8	-42.6	179	-62.9	71.4	-157.5	0	0	110.4	I362 G404 A409 F410 L411	I362-E407 HydrophobicContact CG1-CG 3.89Å; G404-E407 WeakPolarHBondContact CA-OE2 3.48Å; G404-E407 PolarHBondContact O-N 2.95Å; E407-A409 VanDerWaalsContact C-N 3.34Å; E407-A409 PolarHBondContact O-N 3.41Å; E407-F410 PolarHBondContact O-N 3.34Å; E407-L411 PolarHBondContact O-N 3.26Å
408	L	87.2	Confident	81.5	Confident	31 Å²	31	57.1 Å²	57.1	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-40.7	172.6	-70.5	173.3	0	0	0	112.2	A396 M398 G404 F410 L411 R412 M437 V439	A396-L408 HydrophobicContact CB-CD2 3.55Å; M398-L408 HydrophobicContact SD-CD1 4.02Å; M398-L408 HydrophobicContact SD-CD2 3.97Å; M398-L408 HydrophobicContact SD-CG 4.33Å; G404-L408 WeakPolarHBondContact O-CG 3.48Å; G404-L408 PolarHBondContact O-N 3.1Å; G404-L408 VanDerWaalsContact O-N 3.14Å; L408-F410 VanDerWaalsContact C-N 3.29Å; L408-F410 PolarHBondContact O-N 3.24Å; L408-L411 PolarHBondContact O-N 2.87Å; L408-R412 WeakPolarHBondContact O-CB 3.4Å; L408-R412 PolarHBondContact O-N 3.03Å; L408-M437 HydrophobicContact CB-CE 4.39Å; L408-M437 HydrophobicContact CB-SD 4.49Å; L408-M437 HydrophobicContact CD2-CE 4.07Å; L408-M437 HydrophobicContact CD2-SD 4.16Å; L408-V439 HydrophobicContact CD2-CG2 4.06Å
409	A	88.6	Confident	81.7	Confident	26 Å²	26	56.2 Å²	56.2	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-41	176.4	0	0	0	0	0	111.6	L405 K406 E407 R412 D413	L405-A409 WeakPolarHBondContact O-CB 3.48Å; L405-A409 PolarHBondContact O-N 2.86Å; K406-A409 PolarHBondContact O-N 3.04Å; E407-A409 VanDerWaalsContact C-N 3.34Å; E407-A409 PolarHBondContact O-N 3.41Å; A409-R412 PolarHBondContact O-N 3.27Å; A409-D413 PolarHBondContact O-N 3.07Å; A409-D413 VanDerWaalsContact O-OD2 3.12Å
410	F	90.3	Very high	82.3	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-47.9	176.5	173.8	-125.5	0	0	0	112.4	T363 K372 T375 K406 E407 L408 R412 D413 L414	T363-F410 HydrophobicContact CG2-CD1 4.49Å; T363-F410 HydrophobicContact CG2-CE1 4.14Å; K372-F410 HydrophobicContact CB-CD2 3.99Å; K372-F410 HydrophobicContact CB-CE2 3.69Å; K372-F410 HydrophobicContact CB-CZ 4.33Å; K372-F410 HydrophobicContact CD-CB 4.48Å; K372-F410 HydrophobicContact CD-CD2 3.99Å; K372-F410 HydrophobicContact CD-CE2 4.46Å; K372-F410 HydrophobicContact CD-CG 4.21Å; K372-F410 HydrophobicContact CG-CD1 4.37Å; K372-F410 HydrophobicContact CG-CD2 3.57Å; K372-F410 HydrophobicContact CG-CE1 4.35Å; K372-F410 HydrophobicContact CG-CE2 3.55Å; K372-F410 HydrophobicContact CG-CG 3.99Å; K372-F410 HydrophobicContact CG-CZ 3.95Å; T375-F410 HydrophobicContact CG2-CZ 4.39Å; K406-F410 PolarHBondContact O-N 3.41Å; K406-F410 VanDerWaalsContact O-N 3.15Å; E407-F410 PolarHBondContact O-N 3.34Å; L408-F410 VanDerWaalsContact C-N 3.29Å; L408-F410 PolarHBondContact O-N 3.24Å; F410-R412 VanDerWaalsContact C-N 3.25Å; F410-R412 PolarHBondContact O-N 2.68Å; F410-D413 PolarHBondContact O-N 2.97Å; F410-D413 VanDerWaalsContact O-N 3.11Å; F410-L414 HydrophobicContact CD1-CD1 4.34Å; F410-L414 HydrophobicContact CD2-CG 4.22Å; F410-L414 HydrophobicContact CE1-CD1 3.83Å; F410-L414 HydrophobicContact CE1-CG 4.45Å; F410-L414 HydrophobicContact CE2-CD1 4.09Å; F410-L414 HydrophobicContact CE2-CD2 3.77Å; F410-L414 HydrophobicContact CE2-CG 3.82Å; F410-L414 HydrophobicContact CZ-CD1 3.7Å; F410-L414 HydrophobicContact CZ-CD2 3.94Å; F410-L414 HydrophobicContact CZ-CG 3.96Å; F410-L414 WeakPolarHBondContact O-CG 3.48Å; F410-L414 PolarHBondContact O-N 2.79Å
411	L	92.1	Very high	83.6	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-33.5	177.5	-69.6	177.1	0	0	0	112.7	Y357 T394 A396 E407 L408 L414 A415 M437	Y357-L411 HydrophobicContact CD1-CD2 4.12Å; Y357-L411 HydrophobicContact CE1-CD2 3.97Å; T394-L411 WeakPolarHBondContact CG2-O 3.34Å; T394-L411 PolarHBondContact OG1-O 2.82Å; A396-L411 HydrophobicContact CB-CD1 3.53Å; E407-L411 PolarHBondContact O-N 3.26Å; L408-L411 PolarHBondContact O-N 2.87Å; L411-L414 HydrophobicContact CD2-CD1 4.19Å; L411-A415 PolarHBondContact O-N 3.26Å; L411-A415 VanDerWaalsContact O-N 3.14Å; L411-M437 HydrophobicContact CB-CG 4.22Å; L411-M437 HydrophobicContact CB-SD 3.72Å
412	R	93.7	Very high	84.9	Confident	121 Å²	121	53.8 Å²	53.8	46%	0.457	29%	0.287	S	S	.	.	H	α-helix	trans	-67.3	-46	171.4	-176.5	179.7	62.9	-169.9	-1.1	111.8	L408 A409 F410 L414 A415 E416 M437	L408-R412 WeakPolarHBondContact O-CB 3.4Å; L408-R412 PolarHBondContact O-N 3.03Å; A409-R412 PolarHBondContact O-N 3.27Å; F410-R412 VanDerWaalsContact C-N 3.25Å; F410-R412 PolarHBondContact O-N 2.68Å; R412-L414 PolarHBondContact O-N 3.45Å; R412-A415 PolarHBondContact O-N 2.82Å; R412-A415 VanDerWaalsContact O-N 3.15Å; R412-E416 HydrophobicContact CG-CG 4.41Å; R412-E416 WeakPolarHBondContact CG-OE1 3.24Å; R412-E416 PolarHBondContact O-N 3.06Å; R412-M437 HydrophobicContact CB-CB 4.39Å; R412-M437 HydrophobicContact CB-CE 4.47Å; R412-M437 HydrophobicContact CB-SD 3.99Å
413	D	93	Very high	86.1	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-32.4	178.1	-64.2	-35.1	0	0	0	111.6	A409 F410 Q417 N418 K421 Y422	A409-D413 PolarHBondContact O-N 3.07Å; A409-D413 VanDerWaalsContact O-OD2 3.12Å; F410-D413 PolarHBondContact O-N 2.97Å; F410-D413 VanDerWaalsContact O-N 3.11Å; D413-Q417 WeakPolarHBondContact O-CA 3.21Å; D413-Q417 PolarHBondContact O-N 3.1Å; D413-N418 PolarHBondContact O-N 3.44Å; D413-K421 VanDerWaalsContact CG-NZ 3.33Å; D413-K421 IonicContact OD1-NZ 3.55Å; D413-K421 PolarHBondContact OD1-NZ 2.95Å; D413-K421 IonicContact OD2-NZ 2.75Å; D413-K421 PolarHBondContact OD2-NZ 3.03Å; D413-Y422 HydrophobicContact CB-CE2 4.05Å; D413-Y422 PolarHBondContact OD2-OH 2.91Å; D413-Y422 VanDerWaalsContact OD2-OH 3.08Å
414	L	94.6	Very high	87.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-47.1	171.7	-68.6	178.1	0	0	0	112.4	F331 Y357 T375 L376 I379 T394 F410 L411 R412 Q417	F331-L414 HydrophobicContact CE2-CD1 4.14Å; F331-L414 HydrophobicContact CZ-CD1 4.37Å; Y357-L414 HydrophobicContact CD1-CD1 4.29Å; Y357-L414 HydrophobicContact CE1-CD1 4.22Å; T375-L414 HydrophobicContact CG2-CD2 3.9Å; L376-L414 HydrophobicContact CD2-CD2 4.01Å; L376-L414 HydrophobicContact CG-CD2 4Å; I379-L414 HydrophobicContact CD1-CD2 3.54Å; T394-L414 HydrophobicContact CG2-CB 4.08Å; F410-L414 HydrophobicContact CD1-CD1 4.34Å; F410-L414 HydrophobicContact CD2-CG 4.22Å; F410-L414 HydrophobicContact CE1-CD1 3.83Å; F410-L414 HydrophobicContact CE1-CG 4.45Å; F410-L414 HydrophobicContact CE2-CD1 4.09Å; F410-L414 HydrophobicContact CE2-CD2 3.77Å; F410-L414 HydrophobicContact CE2-CG 3.82Å; F410-L414 HydrophobicContact CZ-CD1 3.7Å; F410-L414 HydrophobicContact CZ-CD2 3.94Å; F410-L414 HydrophobicContact CZ-CG 3.96Å; F410-L414 WeakPolarHBondContact O-CG 3.48Å; F410-L414 PolarHBondContact O-N 2.79Å; L411-L414 HydrophobicContact CD2-CD1 4.19Å; R412-L414 PolarHBondContact O-N 3.45Å; L414-Q417 WeakPolarHBondContact O-CG 3.47Å; L414-Q417 PolarHBondContact O-N 2.88Å; L414-Q417 VanDerWaalsContact O-N 3.14Å
415	A	94.8	Very high	88	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-40.6	179.1	0	0	0	0	0	112.4	I392 T394 L411 R412 Q417 G435	I392-A415 WeakPolarHBondContact O-CA 3.27Å; T394-A415 HydrophobicContact CG2-CB 4.11Å; L411-A415 PolarHBondContact O-N 3.26Å; L411-A415 VanDerWaalsContact O-N 3.14Å; R412-A415 PolarHBondContact O-N 2.82Å; R412-A415 VanDerWaalsContact O-N 3.15Å; A415-Q417 PolarHBondContact O-N 3.05Å; A415-G435 WeakPolarHBondContact O-CA 3.28Å; A415-G435 PolarHBondContact O-N 3.34Å
416	E	94.4	Very high	87.8	Confident	72 Å²	72	48.4 Å²	48.4	34%	0.336	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-9	175.8	-67.6	178.6	-171.3	0	0	113.1	R412 N418	R412-E416 HydrophobicContact CG-CG 4.41Å; R412-E416 WeakPolarHBondContact CG-OE1 3.24Å; R412-E416 PolarHBondContact O-N 3.06Å; E416-N418 VanDerWaalsContact C-N 3.28Å; E416-N418 PolarHBondContact O-N 2.89Å
417	Q	93	Very high	87.2	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.061	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	43.1	-176	-56.7	-173.3	60.7	0	0	112.5	I379 N383 V390 I392 D413 L414 A415 S419 V432 I433	I379-Q417 HydrophobicContact CG2-CG 4.23Å; N383-Q417 PolarHBondContact ND2-OE1 3.2Å; V390-Q417 PolarHBondContact O-NE2 2.88Å; I392-Q417 HydrophobicContact CD1-CG 4.06Å; I392-Q417 HydrophobicContact CG1-CG 4.45Å; D413-Q417 WeakPolarHBondContact O-CA 3.21Å; D413-Q417 PolarHBondContact O-N 3.1Å; L414-Q417 WeakPolarHBondContact O-CG 3.47Å; L414-Q417 PolarHBondContact O-N 2.88Å; L414-Q417 VanDerWaalsContact O-N 3.14Å; A415-Q417 PolarHBondContact O-N 3.05Å; Q417-S419 VanDerWaalsContact C-N 3.27Å; Q417-S419 PolarHBondContact O-N 3.42Å; Q417-V432 HydrophobicContact CB-CG1 3.64Å; Q417-V432 HydrophobicContact CG-CG1 3.94Å; Q417-V432 VanDerWaalsContact NE2-CG1 3.31Å; Q417-I433 PolarHBondContact NE2-O 2.8Å
418	N	90.3	Very high	86.5	Confident	61 Å²	61	50.2 Å²	50.2	33%	0.326	27%	0.271	S	S	.	.			trans	-80.8	66.3	-172.5	-167.9	-6.6	0	0	0	112.5	D413 E416 G420 K421	D413-N418 PolarHBondContact O-N 3.44Å; E416-N418 VanDerWaalsContact C-N 3.28Å; E416-N418 PolarHBondContact O-N 2.89Å; N418-G420 VanDerWaalsContact C-N 3.26Å; N418-G420 PolarHBondContact O-N 3.22Å; N418-K421 PolarHBondContact O-N 3.32Å; N418-K421 PolarHBondContact OD1-N 3.11Å
419	S	88.1	Confident	85.5	Confident	11 Å²	11	54 Å²	54	8%	0.077	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.8	-31.1	-179.1	61.9	0	0	0	0	112.9	N380 Q417 K421 Y422 I424	N380-S419 PolarHBondContact OD1-OG 3.23Å; Q417-S419 VanDerWaalsContact C-N 3.27Å; Q417-S419 PolarHBondContact O-N 3.42Å; S419-K421 VanDerWaalsContact C-N 3.35Å; S419-K421 PolarHBondContact O-N 2.88Å; S419-Y422 PolarHBondContact O-N 2.83Å; S419-Y422 VanDerWaalsContact O-N 3.12Å; S419-I424 WeakPolarHBondContact O-CB 3.47Å; S419-I424 PolarHBondContact O-N 2.69Å
420	G	86.3	Confident	85.1	Confident	52 Å²	52	57.1 Å²	57.1	54%	0.536	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-61	-36.3	179.5	0	0	0	0	0	114.2	N418 Y422 G423	N418-G420 VanDerWaalsContact C-N 3.26Å; N418-G420 PolarHBondContact O-N 3.22Å; G420-Y422 PolarHBondContact O-N 2.75Å; G420-Y422 VanDerWaalsContact O-N 3.15Å; G420-G423 PolarHBondContact O-N 3.32Å; G420-G423 VanDerWaalsContact O-N 3.1Å
421	K	87.8	Confident	84.9	Confident	116 Å²	116	62.3 Å²	62.3	50%	0.504	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27	176.2	-176.5	-177.8	178.2	-171.9	0	113	D413 N418 S419	D413-K421 VanDerWaalsContact CG-NZ 3.33Å; D413-K421 IonicContact OD1-NZ 3.55Å; D413-K421 PolarHBondContact OD1-NZ 2.95Å; D413-K421 IonicContact OD2-NZ 2.75Å; D413-K421 PolarHBondContact OD2-NZ 3.03Å; N418-K421 PolarHBondContact O-N 3.32Å; N418-K421 PolarHBondContact OD1-N 3.11Å; S419-K421 VanDerWaalsContact C-N 3.35Å; S419-K421 PolarHBondContact O-N 2.88Å
422	Y	86.4	Confident	84.8	Confident	33 Å²	33	64 Å²	64	13%	0.129	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-101.9	12.4	-177.5	-65	-94.8	0	0	0	113.1	K372 L376 D413 S419 G420 I424	K372-Y422 HydrophobicContact CB-CD1 4.39Å; K372-Y422 HydrophobicContact CB-CE1 3.76Å; K372-Y422 HydrophobicContact CD-CE1 4.3Å; L376-Y422 HydrophobicContact CD1-CD1 4.34Å; L376-Y422 HydrophobicContact CD1-CD2 3.09Å; L376-Y422 HydrophobicContact CD1-CE1 4.37Å; L376-Y422 HydrophobicContact CD1-CE2 3.12Å; L376-Y422 HydrophobicContact CD1-CG 3.73Å; D413-Y422 HydrophobicContact CB-CE2 4.05Å; D413-Y422 PolarHBondContact OD2-OH 2.91Å; D413-Y422 VanDerWaalsContact OD2-OH 3.08Å; S419-Y422 PolarHBondContact O-N 2.83Å; S419-Y422 VanDerWaalsContact O-N 3.12Å; G420-Y422 PolarHBondContact O-N 2.75Å; G420-Y422 VanDerWaalsContact O-N 3.15Å; Y422-I424 VanDerWaalsContact C-N 3.34Å
423	G	84.7	Confident	84.6	Confident	63 Å²	63	61.1 Å²	61.1	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	27.5	178.4	0	0	0	0	0	113.9	G420	G420-G423 PolarHBondContact O-N 3.32Å; G420-G423 VanDerWaalsContact O-N 3.1Å
424	I	85.8	Confident	84.5	Confident	15 Å²	15	68.1 Å²	68.1	8%	0.077	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-97.5	120.2	177.2	-58.6	160.9	0	0	0	108	K373 L376 R377 N380 S419 Y422	K373-I424 HydrophobicContact CG-CD1 4.35Å; K373-I424 HydrophobicContact CG-CG1 4.43Å; L376-I424 HydrophobicContact CB-CD1 3.75Å; R377-I424 HydrophobicContact CB-CD1 4.13Å; N380-I424 HydrophobicContact CB-CG2 4.3Å; S419-I424 WeakPolarHBondContact O-CB 3.47Å; S419-I424 PolarHBondContact O-N 2.69Å; Y422-I424 VanDerWaalsContact C-N 3.34Å
425	P	79.4	Confident	84.4	Confident	88 Å²	88	68.8 Å²	68.8	57%	0.571	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-74.1	133.9	-179.5	28.4	-32.4	0	0	0	111.2	N380 R427	N380-P425 PolarHBondContact ND2-O 2.77Å; P425-R427 PolarHBondContact O-N 3.47Å
426	D	70.8	Confident	84.3	Confident	86 Å²	86	70.1 Å²	70.1	46%	0.46	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-75	122	170.8	-166.1	-12.7	0	0	0	109.3	T428	D426-T428 PolarHBondContact OD1-N 3.11Å; D426-T428 PolarHBondContact OD1-OG1 3.02Å
427	R	67.3	Low	84.2	Confident	214 Å²	214	69.4 Å²	69.4	81%	0.808	40%	0.4	S	S	*	.			trans	-100.6	-2.6	-176.4	-68.9	-176.4	175.5	178.1	0	112.7	P425	P425-R427 PolarHBondContact O-N 3.47Å
428	T	68.4	Low	84.1	Confident	46 Å²	46	71 Å²	71	28%	0.282	41%	0.408	S	S	.	.			trans	-107.6	147.2	-170	56.2	0	0	0	0	112	N388 D426	N388-T428 PolarHBondContact ND2-OG1 3.37Å; D426-T428 PolarHBondContact OD1-N 3.11Å; D426-T428 PolarHBondContact OD1-OG1 3.02Å
429	A	65.9	Low	84	Confident	110 Å²	110	71 Å²	71	91%	0.909	41%	0.41	S	S	*	.	S	Bend	trans	-82.4	-14.2	-179.2	0	0	0	0	0	113.6
430	L	80.4	Confident	84	Confident	91 Å²	91	70.7 Å²	70.7	48%	0.476	41%	0.407	S	S	.	.	S	Bend	trans	-100.5	137.2	-176.2	-69.7	170.5	0	0	0	110.8	N387 N388	N387-L430 HydrophobicContact CB-CD1 3.82Å; N388-L430 PolarHBondContact ND2-O 3.43Å
431	P	86.2	Confident	83.6	Confident	110 Å²	110	71.6 Å²	71.6	71%	0.714	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-68.9	147.4	179.5	29.2	-34.7	0	0	0	111.9
432	V	88.8	Confident	83.1	Confident	36 Å²	36	70 Å²	70	22%	0.218	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-75	137.8	177.3	-175.2	0	0	0	0	112.1	N388 Q417 K434	N388-V432 HydrophobicContact CB-CG2 4.24Å; Q417-V432 HydrophobicContact CB-CG1 3.64Å; Q417-V432 HydrophobicContact CG-CG1 3.94Å; Q417-V432 VanDerWaalsContact NE2-CG1 3.31Å; V432-K434 PolarHBondContact O-N 2.96Å
433	I	89.7	Confident	82.5	Confident	62 Å²	62	72.9 Å²	72.9	32%	0.318	41%	0.412	S	S	.	.			trans	-77.1	109.9	171.3	-58	177.1	0	0	0	109.2	M391 Q417	M391-I433 HydrophobicContact CB-CG2 4.23Å; M391-I433 HydrophobicContact CE-CG2 3.46Å; M391-I433 VanDerWaalsContact CE-CG2 3.46Å; M391-I433 HydrophobicContact CG-CG2 4.44Å; Q417-I433 PolarHBondContact NE2-O 2.8Å
434	K	91.7	Very high	81.9	Confident	151 Å²	151	73.5 Å²	73.5	66%	0.657	41%	0.406	S	S	*	.			trans	-74	132.8	178.5	-60	-175.8	-179.9	-174.8	0	110.5	V432	V432-K434 PolarHBondContact O-N 2.96Å
435	G	92.1	Very high	81.5	Confident	14 Å²	14	75.2 Å²	75.2	14%	0.144	42%	0.415	C	S	.	.			trans	-98	-165.6	167.7	0	0	0	0	0	112.2	I392 A415	I392-G435 WeakPolarHBondContact O-CA 3.38Å; A415-G435 WeakPolarHBondContact O-CA 3.28Å; A415-G435 PolarHBondContact O-N 3.34Å
436	S	92.8	Very high	81.8	Confident	29 Å²	29	71.3 Å²	71.3	20%	0.203	39%	0.39	C	S	.	.			trans	-127.8	150.7	-177.2	67.3	0	0	0	0	112	T394 N456	T394-S436 PolarHBondContact N-O 3.2Å; T394-S436 VanDerWaalsContact N-O 3.14Å; S436-N456 PolarHBondContact OG-OD1 3.41Å
437	M	92.5	Very high	82.4	Confident	56 Å²	56	71.3 Å²	71.3	28%	0.276	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.1	168.2	-175.9	-166.3	75.2	0	0	110.7	T394 L408 L411 R412 V439	T394-M437 CarbonylContact O-C 3.54Å; T394-M437 VanDerWaalsContact O-CA 3.26Å; T394-M437 WeakPolarHBondContact O-CA 3.39Å; T394-M437 WeakPolarHBondContact OG1-CA 3.34Å; T394-M437 VanDerWaalsContact OG1-CB 3.29Å; T394-M437 WeakPolarHBondContact OG1-CB 2.97Å; T394-M437 WeakPolarHBondContact OG1-CG 3.37Å; L408-M437 HydrophobicContact CB-CE 4.39Å; L408-M437 HydrophobicContact CB-SD 4.49Å; L408-M437 HydrophobicContact CD2-CE 4.07Å; L408-M437 HydrophobicContact CD2-SD 4.16Å; L411-M437 HydrophobicContact CB-CG 4.22Å; L411-M437 HydrophobicContact CB-SD 3.72Å; R412-M437 HydrophobicContact CB-CB 4.39Å; R412-M437 HydrophobicContact CB-CE 4.47Å; R412-M437 HydrophobicContact CB-SD 3.99Å; M437-V439 HydrophobicContact CE-CG2 4.5Å
438	M	90.8	Very high	83.2	Confident	46 Å²	46	61.9 Å²	61.9	23%	0.227	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.2	173	-64.7	-176.2	177.6	0	0	110.6	T394 Y395 A396 T449	T394-M438 PolarHBondContact O-N 3.01Å; Y395-M438 CarbonylContact C-O 3.44Å; Y395-M438 WeakPolarHBondContact CA-O 3.38Å; Y395-M438 HydrophobicContact CD1-CB 3.76Å; Y395-M438 HydrophobicContact CE1-CB 3.82Å; Y395-M438 HydrophobicContact CE1-CG 4.19Å; Y395-M438 HydrophobicContact CE1-SD 3.64Å; A396-M438 PolarHBondContact N-O 3.45Å; M438-T449 HydrophobicContact SD-CG2 3.96Å
439	V	88.8	Confident	84	Confident	62 Å²	62	61.8 Å²	61.8	38%	0.376	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.3	178.4	-178.8	0	0	0	0	109.6	A396 M398 L408 M437	A396-V439 HydrophobicContact CB-CG2 4.36Å; M398-V439 HydrophobicContact CB-CG1 4.17Å; M398-V439 HydrophobicContact CE-CG1 4.48Å; M398-V439 HydrophobicContact CG-CG1 4.08Å; M398-V439 HydrophobicContact SD-CG1 3.67Å; L408-V439 HydrophobicContact CD2-CG2 4.06Å; M437-V439 HydrophobicContact CE-CG2 4.5Å
440	L	86.9	Confident	85.1	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.4	176.3	-58.6	-177.3	0	0	0	109.6	I260 A264 L358 Y395 A396 L397 M398 L446 T449 V450	I260-L440 HydrophobicContact CG2-CB 3.88Å; I260-L440 HydrophobicContact CG2-CD1 4.24Å; A264-L440 HydrophobicContact CB-CD1 4.15Å; L358-L440 HydrophobicContact CD2-CD1 3.91Å; Y395-L440 HydrophobicContact CD1-CD1 3.93Å; Y395-L440 HydrophobicContact CD1-CD2 4.01Å; Y395-L440 HydrophobicContact CD1-CG 3.99Å; Y395-L440 HydrophobicContact CG-CD1 4.17Å; A396-L440 PolarHBondContact O-N 2.8Å; L397-L440 HydrophobicContact CD2-CD1 4.32Å; M398-L440 PolarHBondContact N-O 3.44Å; L440-L446 HydrophobicContact CD1-CD2 4.01Å; L440-L446 HydrophobicContact CD2-CD2 3.99Å; L440-L446 HydrophobicContact CG-CD2 4.44Å; L440-T449 HydrophobicContact CD2-CG2 4.16Å; L440-V450 HydrophobicContact CD1-CG2 3.86Å; L440-V450 HydrophobicContact CD2-CG2 3.81Å; L440-V450 HydrophobicContact CG-CG2 4.49Å
441	N	78.8	Confident	85.4	Confident	72 Å²	72	52.2 Å²	52.2	39%	0.385	29%	0.286	S	S	.	.			trans	-120.9	-20.5	-179.8	61.9	-15.9	0	0	0	113.8
442	Q	77	Confident	85.5	Confident	83 Å²	83	49.3 Å²	49.3	39%	0.388	26%	0.261	S	S	.	.			trans	-138.9	146.3	-174.6	-66.9	177.7	-2.2	0	0	112	S444	Q442-S444 VanDerWaalsContact C-N 3.33Å
443	L	73.9	Confident	85.6	Confident	93 Å²	93	47.7 Å²	47.7	49%	0.487	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-69.7	-28.8	177.3	-66.2	172	0	0	0	112.8	I260 D263 N445 L446	I260-L443 HydrophobicContact CB-CD2 4.29Å; I260-L443 HydrophobicContact CG1-CD2 3.66Å; I260-L443 HydrophobicContact CG1-CG 4.2Å; D263-L443 HydrophobicContact CB-CD2 4.25Å; D263-L443 VanDerWaalsContact OD2-CD2 3.27Å; D263-L443 WeakPolarHBondContact OD2-CD2 3.42Å; L443-N445 VanDerWaalsContact C-N 3.28Å; L443-N445 PolarHBondContact O-N 3.13Å; L443-L446 HydrophobicContact CD2-CD1 3.91Å
444	S	72.5	Confident	85.5	Confident	75 Å²	75	44.9 Å²	44.9	52%	0.524	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-69.4	-19.5	-171.9	57.4	0	0	0	0	114.8	Q442	Q442-S444 VanDerWaalsContact C-N 3.33Å
445	N	76.8	Confident	85.4	Confident	51 Å²	51	40.6 Å²	40.6	27%	0.273	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-112.3	12.4	-174.5	-62.7	-17.7	0	0	0	112.8	L443 E447 T448 T449	L443-N445 VanDerWaalsContact C-N 3.28Å; L443-N445 PolarHBondContact O-N 3.13Å; N445-E447 PolarHBondContact O-N 3.48Å; N445-T448 PolarHBondContact O-N 3.45Å; N445-T448 PolarHBondContact O-OG1 3.41Å; N445-T449 WeakPolarHBondContact O-CB 3.41Å; N445-T449 PolarHBondContact O-N 3.11Å; N445-T449 PolarHBondContact O-OG1 2.83Å
446	L	85.4	Confident	85.1	Confident	7 Å²	7	42 Å²	42	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-42.4	-175.8	-70.5	178.8	0	0	0	112.4	I260 D263 A264 V267 L440 L443 T448 T449 V450 G451	I260-L446 HydrophobicContact CG2-CD2 4.11Å; D263-L446 HydrophobicContact CB-CD1 3.57Å; A264-L446 HydrophobicContact CB-CD2 4.23Å; V267-L446 HydrophobicContact CG2-CB 4.37Å; L440-L446 HydrophobicContact CD1-CD2 4.01Å; L440-L446 HydrophobicContact CD2-CD2 3.99Å; L440-L446 HydrophobicContact CG-CD2 4.44Å; L443-L446 HydrophobicContact CD2-CD1 3.91Å; L446-T448 VanDerWaalsContact C-N 3.33Å; L446-T448 PolarHBondContact O-N 2.98Å; L446-T449 PolarHBondContact O-N 3.27Å; L446-V450 HydrophobicContact CD2-CG2 4.04Å; L446-V450 WeakPolarHBondContact O-CA 3.46Å; L446-V450 WeakPolarHBondContact O-CB 3.49Å; L446-V450 PolarHBondContact O-N 2.93Å; L446-G451 PolarHBondContact O-N 2.69Å
447	E	83.1	Confident	84.8	Confident	85 Å²	85	40.9 Å²	40.9	40%	0.397	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-40.6	178.2	-62.8	-174.5	160.9	0	0	112.2	E225 V267 N445 G451	E225-E447 HydrophobicContact CB-CB 3.79Å; E225-E447 WeakPolarHBondContact CB-OE2 3.47Å; E225-E447 HydrophobicContact CG-CB 3.9Å; V267-E447 HydrophobicContact CG2-CG 4.13Å; N445-E447 PolarHBondContact O-N 3.48Å; E447-G451 WeakPolarHBondContact O-CA 3.31Å; E447-G451 PolarHBondContact O-N 3.29Å
448	T	84.3	Confident	84.2	Confident	17 Å²	17	40.7 Å²	40.7	10%	0.104	22%	0.222	C	C	.	.	H	α-helix	trans	-73.7	-29.5	179.1	48	0	0	0	0	113.6	S170 T172 E225 N445 L446 R452	S170-T448 WeakPolarHBondContact OG-CG2 3.29Å; T172-T448 HydrophobicContact CG2-CG2 4.15Å; E225-T448 WeakPolarHBondContact OE2-CG2 3.34Å; N445-T448 PolarHBondContact O-N 3.45Å; N445-T448 PolarHBondContact O-OG1 3.41Å; L446-T448 VanDerWaalsContact C-N 3.33Å; L446-T448 PolarHBondContact O-N 2.98Å; T448-R452 WeakPolarHBondContact O-CD 3.11Å; T448-R452 WeakPolarHBondContact O-CG 3.31Å
449	T	86.1	Confident	83.4	Confident	43 Å²	43	43.5 Å²	43.5	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-98.1	-51.2	-172.2	-37.4	0	0	0	0	111.1	M438 L440 N445 L446	M438-T449 HydrophobicContact SD-CG2 3.96Å; L440-T449 HydrophobicContact CD2-CG2 4.16Å; N445-T449 WeakPolarHBondContact O-CB 3.41Å; N445-T449 PolarHBondContact O-N 3.11Å; N445-T449 PolarHBondContact O-OG1 2.83Å; L446-T449 PolarHBondContact O-N 3.27Å
450	V	88.9	Confident	82.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-39.9	-178.1	-172	0	0	0	0	111	A264 I268 Y395 L440 L446 R452 F453	A264-V450 HydrophobicContact CB-CG1 4.26Å; A264-V450 HydrophobicContact CB-CG2 3.98Å; I268-V450 HydrophobicContact CD1-CG1 3.64Å; I268-V450 HydrophobicContact CG1-CG1 3.45Å; I268-V450 VanDerWaalsContact CG1-CG1 3.45Å; Y395-V450 HydrophobicContact CD1-CG2 4.03Å; Y395-V450 HydrophobicContact CE1-CB 4.29Å; Y395-V450 HydrophobicContact CE1-CG1 4.4Å; Y395-V450 HydrophobicContact CE1-CG2 3.82Å; Y395-V450 HydrophobicContact CE2-CG1 4.43Å; L440-V450 HydrophobicContact CD1-CG2 3.86Å; L440-V450 HydrophobicContact CD2-CG2 3.81Å; L440-V450 HydrophobicContact CG-CG2 4.49Å; L446-V450 HydrophobicContact CD2-CG2 4.04Å; L446-V450 WeakPolarHBondContact O-CA 3.46Å; L446-V450 WeakPolarHBondContact O-CB 3.49Å; L446-V450 PolarHBondContact O-N 2.93Å; V450-R452 PolarHBondContact O-N 2.97Å; V450-F453 WeakPolarHBondContact O-CB 3.45Å; V450-F453 PolarHBondContact O-N 2.93Å
451	G	85.7	Confident	82.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	178.7	0	0	0	0	0	113.9	L446 E447 Y454	L446-G451 PolarHBondContact O-N 2.69Å; E447-G451 WeakPolarHBondContact O-CA 3.31Å; E447-G451 PolarHBondContact O-N 3.29Å; G451-Y454 WeakPolarHBondContact O-CE1 3.44Å
452	R	89.2	Confident	82.7	Confident	50 Å²	50	47.7 Å²	47.7	19%	0.189	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	19.7	176.7	-62.1	-174.7	64.9	-170	-2.8	114.1	E206 T448 V450 Y454 T455	E206-R452 IonicContact OE1-CZ 2.61Å; E206-R452 IonicContact OE1-NH2 2.9Å; E206-R452 PolarHBondContact OE1-NH2 3.21Å; T448-R452 WeakPolarHBondContact O-CD 3.11Å; T448-R452 WeakPolarHBondContact O-CG 3.31Å; V450-R452 PolarHBondContact O-N 2.97Å; R452-Y454 HydrophobicContact CB-CE1 4.39Å; R452-Y454 PolarHBondContact O-N 2.94Å; R452-T455 HydrophobicContact CB-CG2 4.13Å; R452-T455 WeakPolarHBondContact O-CB 3.46Å; R452-T455 WeakPolarHBondContact O-CG2 3.39Å; R452-T455 PolarHBondContact O-N 3.28Å; R452-T455 PolarHBondContact O-OG1 2.86Å
453	F	90.3	Very high	83.1	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-52.6	-33.5	-177.8	76.2	-87.3	0	0	0	113.5	I243 A271 I272 I356 L393 V450 T455 N456	I243-F453 HydrophobicContact CD1-CE2 3.63Å; I243-F453 HydrophobicContact CD1-CZ 3.64Å; A271-F453 HydrophobicContact CB-CE1 4.18Å; I272-F453 HydrophobicContact CG2-CE1 4.49Å; I272-F453 HydrophobicContact CG2-CZ 4.05Å; I356-F453 HydrophobicContact CD1-CB 4.4Å; I356-F453 HydrophobicContact CD1-CD2 4.2Å; I356-F453 HydrophobicContact CD1-CG 4.22Å; L393-F453 HydrophobicContact CD1-CB 3.96Å; V450-F453 WeakPolarHBondContact O-CB 3.45Å; V450-F453 PolarHBondContact O-N 2.93Å; F453-T455 PolarHBondContact O-N 3.24Å; F453-T455 VanDerWaalsContact O-N 3.15Å; F453-N456 PolarHBondContact O-N 3.01Å; F453-N456 PolarHBondContact O-ND2 3.24Å; F453-N456 VanDerWaalsContact O-ND2 3.16Å
454	Y	88.4	Confident	83.8	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.016	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-63	-17.1	179.9	66	-92.3	0	0	0	114.1	R227 Y232 V233 V236 R237 G451 R452 N456 L457	R227-Y454 WeakPolarHBondContact O-CE1 3.37Å; R227-Y454 PolarHBondContact O-OH 3.24Å; Y232-Y454 HydrophobicContact CD1-CE2 4.29Å; Y232-Y454 AromaticContact CD1-CZ 3.82Å; Y232-Y454 VanDerWaalsContact CD1-OH 3.3Å; Y232-Y454 WeakPolarHBondContact CD1-OH 3.24Å; Y232-Y454 HydrophobicContact CE1-CE2 4.06Å; Y232-Y454 AromaticContact CE1-CZ 3.8Å; Y232-Y454 WeakPolarHBondContact CE1-OH 3.35Å; V233-Y454 HydrophobicContact CB-CD1 4.34Å; V233-Y454 HydrophobicContact CG1-CD1 4.07Å; V233-Y454 HydrophobicContact CG1-CG 4.13Å; V233-Y454 HydrophobicContact CG2-CD1 3.63Å; V233-Y454 HydrophobicContact CG2-CE1 3.77Å; V233-Y454 HydrophobicContact CG2-CG 4.42Å; V236-Y454 HydrophobicContact CB-CE2 4.44Å; V236-Y454 HydrophobicContact CG1-CD2 4.34Å; V236-Y454 HydrophobicContact CG1-CE2 4.19Å; R237-Y454 HydrophobicContact CG-CD2 4.28Å; G451-Y454 WeakPolarHBondContact O-CE1 3.44Å; R452-Y454 HydrophobicContact CB-CE1 4.39Å; R452-Y454 PolarHBondContact O-N 2.94Å; Y454-N456 PolarHBondContact O-N 2.93Å; Y454-L457 VanDerWaalsContact O-CB 3.3Å; Y454-L457 WeakPolarHBondContact O-CB 3.34Å; Y454-L457 PolarHBondContact O-N 3.48Å; Y454-L457 VanDerWaalsContact O-N 3.13Å
455	T	88.4	Confident	84.8	Confident	60 Å²	60	47.5 Å²	47.5	37%	0.368	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.8	-25	176	56.9	0	0	0	0	112.6	R452 F453 L457	R452-T455 HydrophobicContact CB-CG2 4.13Å; R452-T455 WeakPolarHBondContact O-CB 3.46Å; R452-T455 WeakPolarHBondContact O-CG2 3.39Å; R452-T455 PolarHBondContact O-N 3.28Å; R452-T455 PolarHBondContact O-OG1 2.86Å; F453-T455 PolarHBondContact O-N 3.24Å; F453-T455 VanDerWaalsContact O-N 3.15Å; T455-L457 VanDerWaalsContact C-N 3.31Å
456	N	86.8	Confident	85.5	Confident	44 Å²	44	46.1 Å²	46.1	24%	0.235	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-78.6	-16.1	176.4	-60.6	-67.6	0	0	0	112.9	M391 L393 S436 F453 Y454	M391-N456 VanDerWaalsContact CE-O 3.22Å; M391-N456 WeakPolarHBondContact CE-O 3.5Å; M391-N456 HydrophobicContact SD-CB 4.11Å; L393-N456 HydrophobicContact CD1-CB 4.48Å; L393-N456 HydrophobicContact CD2-CB 3.75Å; S436-N456 PolarHBondContact OG-OD1 3.41Å; F453-N456 PolarHBondContact O-N 3.01Å; F453-N456 PolarHBondContact O-ND2 3.24Å; F453-N456 VanDerWaalsContact O-ND2 3.16Å; Y454-N456 PolarHBondContact O-N 2.93Å
457	L	86.3	Confident	85.9	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	24%	0.24	C	C	.	.	S	Bend	trans	-66.9	147.7	179	-63.7	175.9	0	0	0	110.8	R237 K241 D352 V354 M391 Y454 T455 N459	R237-L457 HydrophobicContact CG-CD1 4.28Å; K241-L457 HydrophobicContact CD-CD1 4.18Å; K241-L457 HydrophobicContact CG-CD1 4.46Å; D352-L457 HydrophobicContact CB-CD2 4.13Å; V354-L457 HydrophobicContact CG2-CD2 3.61Å; M391-L457 HydrophobicContact SD-CD2 4.3Å; Y454-L457 VanDerWaalsContact O-CB 3.3Å; Y454-L457 WeakPolarHBondContact O-CB 3.34Å; Y454-L457 PolarHBondContact O-N 3.48Å; Y454-L457 VanDerWaalsContact O-N 3.13Å; T455-L457 VanDerWaalsContact C-N 3.31Å; L457-N459 PolarHBondContact O-N 3.25Å
458	P	80.8	Confident	86.3	Confident	52 Å²	52	43.3 Å²	43.3	34%	0.338	23%	0.227	S	C	.	.			trans	-48.9	125.8	-179	-26.7	34.7	0	0	0	111.6	R460	P458-R460 PolarHBondContact O-N 3.13Å
459	N	72.1	Confident	86.7	Confident	104 Å²	104	43 Å²	43	56%	0.556	22%	0.224	S	C	*	.			trans	-73.3	102.1	-175.9	-165.6	28.6	0	0	0	110.5	R237 L457	R237-N459 PolarHBondContact NH1-OD1 3.43Å; R237-N459 PolarHBondContact NH2-OD1 2.98Å; L457-N459 PolarHBondContact O-N 3.25Å
460	R	76.8	Confident	86.9	Confident	97 Å²	97	41 Å²	41	37%	0.366	21%	0.212	S	C	.	.			trans	-104.7	113.3	170.5	-62.9	172.9	179.8	-176.7	-8.1	106.5	N350 P458 I462	N350-R460 PolarHBondContact OD1-NH1 3.12Å; P458-R460 PolarHBondContact O-N 3.13Å; R460-I462 VanDerWaalsContact C-N 3.32Å; R460-I462 HydrophobicContact CB-CD1 3.97Å; R460-I462 HydrophobicContact CB-CG1 3.93Å; R460-I462 PolarHBondContact O-N 3.37Å
461	M	80	Confident	87	Confident	98 Å²	98	44.5 Å²	44.5	48%	0.483	23%	0.227	S	C	.	.			trans	-71.3	92	172.3	-76.7	175.1	47.6	0	0	108.3	Y488 N491	M461-Y488 HydrophobicContact CG-CE1 4.32Å; M461-N491 HydrophobicContact SD-CB 4.27Å
462	I	83.3	Confident	87.2	Confident	32 Å²	32	46.9 Å²	46.9	16%	0.164	24%	0.244	C	C	.	.			trans	-104	110.9	179.4	-59.5	170.9	0	0	0	106.9	P238 Q239 R460 E464 P486	P238-I462 HydrophobicContact CG-CB 4.23Å; P238-I462 HydrophobicContact CG-CD1 3.8Å; P238-I462 HydrophobicContact CG-CG2 3.84Å; Q239-I462 HydrophobicContact CG-CD1 4.38Å; R460-I462 VanDerWaalsContact C-N 3.32Å; R460-I462 HydrophobicContact CB-CD1 3.97Å; R460-I462 HydrophobicContact CB-CG1 3.93Å; R460-I462 PolarHBondContact O-N 3.37Å; I462-E464 HydrophobicContact CG2-CB 4Å; I462-E464 HydrophobicContact CG2-CG 3.98Å; I462-E464 PolarHBondContact O-N 2.99Å; I462-P486 VanDerWaalsContact O-CG 3.23Å; I462-P486 WeakPolarHBondContact O-CG 3.42Å
463	D	87.2	Confident	87.2	Confident	81 Å²	81	44.8 Å²	44.8	43%	0.433	24%	0.236	S	C	.	.			trans	-100.6	50.2	179.9	-167.9	19.2	0	0	0	112.2	K121 K485	K121-D463 IonicContact NZ-OD1 3.99Å; K121-D463 PolarHBondContact NZ-OD1 3.32Å; K121-D463 IonicContact NZ-OD2 3.99Å; K121-D463 PolarHBondContact NZ-OD2 3.42Å; D463-K485 WeakPolarHBondContact OD1-CE 3.41Å; D463-K485 IonicContact OD1-NZ 3.59Å
464	E	88.6	Confident	86.9	Confident	135 Å²	135	50.5 Å²	50.5	63%	0.631	26%	0.263	S	S	*	.			trans	-107	149.4	178.5	-66	-178.7	172.5	0	0	110.1	I462	I462-E464 HydrophobicContact CG2-CB 4Å; I462-E464 HydrophobicContact CG2-CG 3.98Å; I462-E464 PolarHBondContact O-N 2.99Å
465	A	92	Very high	86.8	Confident	30 Å²	30	52 Å²	52	25%	0.248	27%	0.27	C	S	.	.			trans	-78.2	138.5	173.2	0	0	0	0	0	109.8	L114 S484	L114-A465 HydrophobicContact CD1-CB 3.44Å; L114-A465 VanDerWaalsContact CD1-CB 3.44Å; A465-S484 CarbonylContact C-O 3.56Å; A465-S484 WeakPolarHBondContact CA-O 3.39Å
466	V	92.4	Very high	86.6	Confident	23 Å²	23	50.2 Å²	50.2	14%	0.139	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.3	177.7	178.2	0	0	0	0	109	P238 V483 S484	P238-V466 HydrophobicContact CB-CG2 3.99Å; V466-V483 WeakPolarHBondContact O-CA 3.34Å; V466-S484 PolarHBondContact N-O 3.41Å; V466-S484 PolarHBondContact O-N 2.92Å; V466-S484 PolarHBondContact O-OG 2.91Å
467	F	92.9	Very high	86.4	Confident	16 Å²	16	52.1 Å²	52.1	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.6	173.5	-63.3	-90.2	0	0	0	108.3	F110 T482 V483 T612 F614	F110-F467 HydrophobicContact CD1-CD1 4.11Å; F110-F467 AromaticContact CD1-CE1 3.61Å; F110-F467 HydrophobicContact CD1-CE1 3.61Å; F110-F467 HydrophobicContact CD1-CZ 4.43Å; F110-F467 HydrophobicContact CE1-CD1 4.12Å; F110-F467 HydrophobicContact CE1-CE1 4.09Å; F110-F467 HydrophobicContact CG-CE1 4.45Å; F467-T482 WeakPolarHBondContact CA-O 3.45Å; F467-V483 HydrophobicContact CD1-CB 4.42Å; F467-V483 HydrophobicContact CD1-CG1 4.19Å; F467-V483 HydrophobicContact CD1-CG2 3.72Å; F467-V483 HydrophobicContact CE1-CB 4.28Å; F467-V483 HydrophobicContact CE1-CG1 3.73Å; F467-V483 HydrophobicContact CE1-CG2 3.61Å; F467-V483 HydrophobicContact CZ-CG1 4.11Å; F467-T612 HydrophobicContact CE2-CG2 4.1Å; F467-T612 HydrophobicContact CZ-CG2 3.88Å; F467-F614 HydrophobicContact CB-CE2 3.89Å; F467-F614 HydrophobicContact CB-CZ 3.75Å; F467-F614 AromaticContact CD1-CE2 3.96Å; F467-F614 HydrophobicContact CD1-CE2 3.96Å; F467-F614 AromaticContact CG-CE2 3.9Å; F467-F614 HydrophobicContact CG-CE2 3.9Å; F467-F614 HydrophobicContact CG-CZ 4.28Å
468	S	92.6	Very high	86.3	Confident	17 Å²	17	53 Å²	53	12%	0.119	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.2	159.2	174.6	80.4	0	0	0	0	111.1	F471 M481 T482	S468-F471 WeakPolarHBondContact OG-CE1 3Å; S468-M481 VanDerWaalsContact O-CG 3.28Å; S468-M481 WeakPolarHBondContact O-CG 3.16Å; S468-T482 PolarHBondContact N-O 3.34Å; S468-T482 PolarHBondContact OG-N 2.94Å
469	L	91.4	Very high	86.8	Confident	9 Å²	9	50.8 Å²	50.8	5%	0.047	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-70.2	161.5	158.4	-66.6	178.9	0	0	0	110.1	E274 F471 D525 Y529 L531 H548	E274-L469 HydrophobicContact CB-CD1 3.86Å; E274-L469 HydrophobicContact CG-CD1 4.14Å; L469-F471 WeakPolarHBondContact O-CD1 3.31Å; L469-F471 PolarHBondContact O-N 3.05Å; L469-D525 HydrophobicContact CD2-CB 4.47Å; L469-Y529 HydrophobicContact CD1-CD2 4.15Å; L469-Y529 HydrophobicContact CD1-CG 4.33Å; L469-L531 HydrophobicContact CD2-CD1 4.23Å; L469-H548 HydrophobicContact CD1-CB 4.17Å
470	P	91.7	Very high	87.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.013	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-65.2	130.2	-179.6	-22.4	32.7	0	0	0	113.6	I480 M481 L503 L531 H548	P470-I480 WeakPolarHBondContact CA-O 3.18Å; P470-M481 HydrophobicContact CG-CE 4.35Å; P470-L503 HydrophobicContact CB-CD1 3.76Å; P470-L503 HydrophobicContact CB-CD2 3.67Å; P470-L503 HydrophobicContact CB-CG 4.28Å; P470-L503 HydrophobicContact CG-CD1 3.56Å; P470-L503 HydrophobicContact CG-CD2 4.15Å; P470-L503 HydrophobicContact CG-CG 4.5Å; P470-L531 HydrophobicContact CG-CG 4.39Å; P470-H548 PolarHBondContact O-CE1 2.94Å; P470-H548 PolarHBondContact O-NE2 3.4Å
471	F	90.1	Very high	88.6	Confident	74 Å²	74	41.4 Å²	41.4	33%	0.325	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171	178.8	66.9	-82.2	0	0	0	111.8	S468 L469 L479 I480 T482	S468-F471 WeakPolarHBondContact OG-CE1 3Å; L469-F471 WeakPolarHBondContact O-CD1 3.31Å; L469-F471 PolarHBondContact O-N 3.05Å; F471-L479 WeakPolarHBondContact O-CA 3.43Å; F471-I480 HydrophobicContact CD2-CD1 4.4Å; F471-I480 HydrophobicContact CD2-CG1 4.23Å; F471-I480 HydrophobicContact CE1-CD1 4.38Å; F471-I480 HydrophobicContact CE1-CG1 4.19Å; F471-I480 HydrophobicContact CE2-CD1 3.58Å; F471-I480 HydrophobicContact CE2-CG1 3.84Å; F471-I480 HydrophobicContact CZ-CD1 3.57Å; F471-I480 HydrophobicContact CZ-CG1 3.82Å; F471-I480 PolarHBondContact N-O 2.75Å; F471-I480 PolarHBondContact O-N 3.46Å; F471-T482 WeakPolarHBondContact CE1-OG1 3.48Å; F471-T482 WeakPolarHBondContact CZ-OG1 3.49Å
472	S	89.6	Confident	89.3	Confident	49 Å²	49	36.7 Å²	36.7	34%	0.343	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.5	-179.2	-168.9	0	0	0	0	111.6	E474	S472-E474 PolarHBondContact O-N 2.98Å
473	D	89.5	Confident	89.9	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.032	20%	0.197	C	C	.	.			trans	-72	107.1	175.7	-176	-1.1	0	0	0	110.8	W200 M475 G476 G478 I480	W200-D473 PolarHBondContact NE1-OD1 2.7Å; W200-D473 PolarHBondContact NE1-OD2 2.96Å; D473-M475 VanDerWaalsContact C-N 3.3Å; D473-M475 PolarHBondContact O-N 3.18Å; D473-M475 PolarHBondContact OD1-N 3.31Å; D473-G476 VanDerWaalsContact CG-N 3.27Å; D473-G476 PolarHBondContact OD1-N 3.24Å; D473-G476 WeakPolarHBondContact OD2-CA 3.27Å; D473-G476 PolarHBondContact OD2-N 3.3Å; D473-G478 WeakPolarHBondContact CB-O 3.43Å; D473-G478 PolarHBondContact N-O 3.15Å; D473-I480 HydrophobicContact CB-CD1 3.96Å; D473-I480 HydrophobicContact CB-CG1 4.08Å; D473-I480 HydrophobicContact CB-CG2 4.06Å
474	E	84.5	Confident	90.3	Very high	121 Å²	121	31.4 Å²	31.4	57%	0.565	18%	0.176	S	C	*	.	S	Bend	trans	-72.3	-22	177.2	-67.7	-171.3	179.8	0	0	113.6	R229 S472	R229-E474 IonicContact CZ-OE1 3.08Å; R229-E474 IonicContact CZ-OE2 3.71Å; R229-E474 IonicContact NH1-OE1 3.39Å; R229-E474 PolarHBondContact NH1-OE1 2.74Å; R229-E474 IonicContact NH1-OE2 2.74Å; R229-E474 PolarHBondContact NH1-OE2 2.79Å; R229-E474 IonicContact NH2-OE1 3.55Å; R229-E474 IonicContact NH2-OE2 2.61Å; R229-E474 PolarHBondContact NH2-OE2 3.49Å; S472-E474 PolarHBondContact O-N 2.98Å
475	M	86.5	Confident	90.7	Very high	35 Å²	35	26.4 Å²	26.4	17%	0.172	15%	0.152	C	C	.	.	S	Bend	trans	-93.8	-31.4	-174	-71.5	177.7	-88.1	0	0	112.4	W200 F210 V212 F218 D473	W200-M475 HydrophobicContact CD2-CB 4.37Å; W200-M475 HydrophobicContact CG-CE 4.24Å; W200-M475 HydrophobicContact CH2-CB 4.48Å; W200-M475 HydrophobicContact CZ2-CB 3.73Å; F210-M475 HydrophobicContact CE1-SD 4.4Å; F210-M475 HydrophobicContact CZ-CE 4.49Å; F210-M475 HydrophobicContact CZ-SD 4.5Å; V212-M475 HydrophobicContact CG2-SD 4.15Å; F218-M475 HydrophobicContact CE2-CG 4.01Å; F218-M475 HydrophobicContact CE2-SD 3.95Å; F218-M475 HydrophobicContact CZ-CG 4.45Å; D473-M475 VanDerWaalsContact C-N 3.3Å; D473-M475 PolarHBondContact O-N 3.18Å; D473-M475 PolarHBondContact OD1-N 3.31Å
476	G	84.2	Confident	90.8	Very high	23 Å²	23	25 Å²	25	24%	0.237	14%	0.14	C	C	.	.	S	Bend	trans	-122.9	-124	176.4	0	0	0	0	0	111.8	F156 D473	F156-G476 WeakPolarHBondContact O-CA 3.45Å; D473-G476 VanDerWaalsContact CG-N 3.27Å; D473-G476 PolarHBondContact OD1-N 3.24Å; D473-G476 WeakPolarHBondContact OD2-CA 3.27Å; D473-G476 PolarHBondContact OD2-N 3.3Å
477	D	81.2	Confident	90.9	Very high	85 Å²	85	23.9 Å²	23.9	46%	0.455	13%	0.134	S	C	.	.	S	Bend	trans	-152.1	155.3	178	-166.9	12	0	0	0	110.3	N157 K199	N157-D477 HydrophobicContact CB-CB 3.86Å; N157-D477 PolarHBondContact ND2-OD2 3.27Å; K199-D477 PolarHBondContact NZ-O 2.71Å
478	G	85.1	Confident	90.9	Very high	23 Å²	23	24 Å²	24	24%	0.237	13%	0.134	C	C	.	.	S	Bend	trans	88.9	-173.3	-176.2	0	0	0	0	0	114.1	D473	D473-G478 WeakPolarHBondContact CB-O 3.43Å; D473-G478 PolarHBondContact N-O 3.15Å
479	L	90.3	Very high	90.9	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.1	-177.1	-59.7	179.2	0	0	0	111.7	F471 L503 L542 P545	F471-L479 WeakPolarHBondContact O-CA 3.43Å; L479-L503 HydrophobicContact CB-CB 3.9Å; L479-L503 HydrophobicContact CB-CD2 3.73Å; L479-L503 HydrophobicContact CB-CG 4.48Å; L479-L503 HydrophobicContact CD1-CD2 3.8Å; L479-L503 HydrophobicContact CG-CD2 4.45Å; L479-L503 WeakPolarHBondContact O-CB 3.22Å; L479-L503 PolarHBondContact O-N 2.68Å; L479-L542 HydrophobicContact CD1-CB 3.6Å; L479-L542 HydrophobicContact CD1-CD1 3.68Å; L479-L542 HydrophobicContact CD1-CG 4.29Å; L479-L542 HydrophobicContact CG-CB 4.48Å; L479-P545 HydrophobicContact CD2-CB 3.93Å
480	I	93.1	Very high	90.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.6	-178.5	56.4	169.2	0	0	0	111.8	K199 P470 F471 D473 D500 V501	K199-I480 HydrophobicContact CB-CG2 4.35Å; K199-I480 HydrophobicContact CG-CG2 3.94Å; P470-I480 WeakPolarHBondContact CA-O 3.18Å; F471-I480 HydrophobicContact CD2-CD1 4.4Å; F471-I480 HydrophobicContact CD2-CG1 4.23Å; F471-I480 HydrophobicContact CE1-CD1 4.38Å; F471-I480 HydrophobicContact CE1-CG1 4.19Å; F471-I480 HydrophobicContact CE2-CD1 3.58Å; F471-I480 HydrophobicContact CE2-CG1 3.84Å; F471-I480 HydrophobicContact CZ-CD1 3.57Å; F471-I480 HydrophobicContact CZ-CG1 3.82Å; F471-I480 PolarHBondContact N-O 2.75Å; F471-I480 PolarHBondContact O-N 3.46Å; D473-I480 HydrophobicContact CB-CD1 3.96Å; D473-I480 HydrophobicContact CB-CG1 4.08Å; D473-I480 HydrophobicContact CB-CG2 4.06Å; I480-D500 HydrophobicContact CB-CB 4.44Å; I480-D500 HydrophobicContact CD1-CB 3.91Å; I480-V501 CarbonylContact C-O 3.58Å; I480-V501 VanDerWaalsContact CA-O 3.27Å; I480-V501 WeakPolarHBondContact CA-O 3.48Å
481	M	93.4	Very high	90.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	168.5	-177.3	-172.9	-58.3	0	0	107.8	F110 S468 P470 V501 L503 I506 L531 F614	F110-M481 HydrophobicContact CE1-SD 4.11Å; S468-M481 VanDerWaalsContact O-CG 3.28Å; S468-M481 WeakPolarHBondContact O-CG 3.16Å; P470-M481 HydrophobicContact CG-CE 4.35Å; M481-V501 PolarHBondContact N-O 2.8Å; M481-V501 PolarHBondContact O-N 2.91Å; M481-L503 HydrophobicContact CE-CD1 4Å; M481-I506 HydrophobicContact CE-CG2 4.27Å; M481-L531 HydrophobicContact CE-CD2 3.52Å; M481-F614 HydrophobicContact CE-CZ 4.29Å; M481-F614 HydrophobicContact SD-CE2 4.17Å; M481-F614 HydrophobicContact SD-CZ 3.9Å
482	T	95.1	Very high	90.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.4	178	-51.9	0	0	0	0	111	Y202 I231 F467 S468 F471 V499 D500	Y202-T482 WeakPolarHBondContact OH-CG2 3.19Å; I231-T482 HydrophobicContact CD1-CG2 3.72Å; I231-T482 HydrophobicContact CG1-CG2 3.73Å; F467-T482 WeakPolarHBondContact CA-O 3.45Å; S468-T482 PolarHBondContact N-O 3.34Å; S468-T482 PolarHBondContact OG-N 2.94Å; F471-T482 WeakPolarHBondContact CE1-OG1 3.48Å; F471-T482 WeakPolarHBondContact CZ-OG1 3.49Å; T482-V499 WeakPolarHBondContact CA-O 3.49Å; T482-D500 WeakPolarHBondContact CB-OD1 3.29Å; T482-D500 WeakPolarHBondContact CG2-OD1 3.25Å; T482-D500 PolarHBondContact OG1-OD1 3Å
483	V	95.9	Very high	90.5	Very high	2 Å²	2	35 Å²	35	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124	161.1	-168.7	0	0	0	0	108.4	V117 V466 F467 G498 V499	V117-V483 HydrophobicContact CG2-CB 4.1Å; V117-V483 HydrophobicContact CG2-CG1 4.02Å; V117-V483 WeakPolarHBondContact CG2-O 3.28Å; V466-V483 WeakPolarHBondContact O-CA 3.34Å; F467-V483 HydrophobicContact CD1-CB 4.42Å; F467-V483 HydrophobicContact CD1-CG1 4.19Å; F467-V483 HydrophobicContact CD1-CG2 3.72Å; F467-V483 HydrophobicContact CE1-CB 4.28Å; F467-V483 HydrophobicContact CE1-CG1 3.73Å; F467-V483 HydrophobicContact CE1-CG2 3.61Å; F467-V483 HydrophobicContact CZ-CG1 4.11Å; V483-G498 WeakPolarHBondContact O-CA 3.36Å; V483-V499 PolarHBondContact N-O 3.1Å; V483-V499 PolarHBondContact O-N 3.05Å
484	S	96.4	Very high	90.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.9	-173.8	56.1	0	0	0	0	113.1	I231 T235 A465 V466 V497	I231-S484 WeakPolarHBondContact CD1-OG 3.37Å; T235-S484 VanDerWaalsContact OG1-CB 3.26Å; T235-S484 WeakPolarHBondContact OG1-CB 3.42Å; T235-S484 PolarHBondContact OG1-OG 2.86Å; A465-S484 CarbonylContact C-O 3.56Å; A465-S484 WeakPolarHBondContact CA-O 3.39Å; V466-S484 PolarHBondContact N-O 3.41Å; V466-S484 PolarHBondContact O-N 2.92Å; V466-S484 PolarHBondContact O-OG 2.91Å; S484-V497 CarbonylContact C-O 3.44Å; S484-V497 VanDerWaalsContact CA-O 3.25Å; S484-V497 WeakPolarHBondContact CA-O 3.38Å
485	K	95.8	Very high	91.2	Very high	29 Å²	29	29.4 Å²	29.4	13%	0.126	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.1	179	-163	168.2	176.8	169.3	0	111.6	V117 N118 K121 D463 I496 V497	V117-K485 HydrophobicContact CG1-CB 3.45Å; V117-K485 VanDerWaalsContact CG1-CB 3.45Å; N118-K485 WeakPolarHBondContact OD1-CD 3.34Å; N118-K485 PolarHBondContact OD1-NZ 2.91Å; K121-K485 HydrophobicContact CD-CD 3.88Å; K121-K485 HydrophobicContact CD-CG 4.09Å; D463-K485 WeakPolarHBondContact OD1-CE 3.41Å; D463-K485 IonicContact OD1-NZ 3.59Å; K485-I496 WeakPolarHBondContact O-CA 3.46Å; K485-V497 HydrophobicContact CB-CG2 4.4Å; K485-V497 PolarHBondContact N-O 3.32Å; K485-V497 WeakPolarHBondContact O-CG2 3.28Å; K485-V497 PolarHBondContact O-N 2.84Å
486	P	95.4	Very high	91.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.4	176.4	29.8	-33.1	0	0	0	112.4	K121 I462 Y488 L493	K121-P486 WeakPolarHBondContact CE-O 3.41Å; K121-P486 PolarHBondContact NZ-O 2.81Å; I462-P486 VanDerWaalsContact O-CG 3.23Å; I462-P486 WeakPolarHBondContact O-CG 3.42Å; P486-Y488 HydrophobicContact CB-CD2 4.43Å; P486-Y488 HydrophobicContact CB-CE2 3.67Å; P486-Y488 HydrophobicContact CG-CE2 3.67Å; P486-L493 HydrophobicContact CB-CD1 4.09Å
487	C	94.8	Very high	92.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.7	175.2	-61.2	0	0	0	0	110.1	V124 E125 L494 G495	V124-C487 HydrophobicContact CG1-CB 4.15Å; E125-C487 HydrophobicContact CG-CB 4.23Å; C487-L494 HydrophobicContact CB-CB 4.2Å; C487-L494 PolarHBondContact O-N 3.11Å; C487-G495 PolarHBondContact N-O 2.76Å
488	Y	92.5	Very high	93	Very high	20 Å²	20	22.7 Å²	22.7	8%	0.078	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.4	-177.2	-65.9	-74.5	0	0	0	112.1	E125 M461 P486 L492 L493	E125-Y488 WeakPolarHBondContact CG-O 3.07Å; E125-Y488 PolarHBondContact OE1-N 2.98Å; E125-Y488 VanDerWaalsContact OE1-O 3.1Å; M461-Y488 HydrophobicContact CG-CE1 4.32Å; P486-Y488 HydrophobicContact CB-CD2 4.43Å; P486-Y488 HydrophobicContact CB-CE2 3.67Å; P486-Y488 HydrophobicContact CG-CE2 3.67Å; Y488-L492 CarbonylContact C-O 3.51Å; Y488-L492 VanDerWaalsContact CA-O 3.28Å; Y488-L492 WeakPolarHBondContact CA-O 3.34Å; Y488-L493 HydrophobicContact CD1-CB 4.17Å; Y488-L493 HydrophobicContact CD1-CD1 4.08Å; Y488-L493 HydrophobicContact CE1-CB 3.92Å; Y488-L493 HydrophobicContact CE1-CD1 3.59Å; Y488-L493 HydrophobicContact CE1-CG 4.34Å
489	F	91.6	Very high	93.6	Very high	78 Å²	78	21.6 Å²	21.6	34%	0.342	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	103.6	164.6	-176.3	-97	0	0	0	109.2	Y128 L132 N491 L492 L494	Y128-F489 HydrophobicContact CD1-CB 3.7Å; Y128-F489 AromaticContact CD1-CD1 3.85Å; Y128-F489 HydrophobicContact CD1-CD1 3.85Å; Y128-F489 AromaticContact CD1-CD2 3.73Å; Y128-F489 HydrophobicContact CD1-CD2 3.73Å; Y128-F489 HydrophobicContact CD1-CE1 4.41Å; Y128-F489 HydrophobicContact CD1-CE2 4.31Å; Y128-F489 AromaticContact CD1-CG 3.47Å; Y128-F489 HydrophobicContact CD1-CG 3.47Å; Y128-F489 VanDerWaalsContact CD1-CG 3.47Å; Y128-F489 HydrophobicContact CE1-CB 3.96Å; Y128-F489 AromaticContact CE1-CD1 3.68Å; Y128-F489 HydrophobicContact CE1-CD1 3.68Å; Y128-F489 HydrophobicContact CE1-CD2 4.41Å; Y128-F489 HydrophobicContact CE1-CE1 4.27Å; Y128-F489 AromaticContact CE1-CG 3.76Å; Y128-F489 HydrophobicContact CE1-CG 3.76Å; L132-F489 HydrophobicContact CD1-CE1 3.77Å; L132-F489 HydrophobicContact CD1-CE2 4.33Å; L132-F489 HydrophobicContact CD1-CZ 3.55Å; F489-N491 PolarHBondContact O-N 2.75Å; F489-L492 PolarHBondContact N-O 3.25Å; F489-L492 WeakPolarHBondContact O-CB 3.42Å; F489-L492 PolarHBondContact O-N 2.65Å; F489-L494 HydrophobicContact CB-CD1 4.16Å; F489-L494 HydrophobicContact CB-CD2 3.98Å; F489-L494 HydrophobicContact CB-CG 4.19Å
490	G	87.1	Confident	93.9	Very high	58 Å²	58	21.4 Å²	21.4	60%	0.598	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	-116.2	-166.2	0	0	0	0	0	110.4
491	N	85.8	Confident	93.9	Very high	131 Å²	131	21.4 Å²	21.4	70%	0.701	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	3.7	176.1	-66.3	-2.5	0	0	0	113.3	M461 F489	M461-N491 HydrophobicContact SD-CB 4.27Å; F489-N491 PolarHBondContact O-N 2.75Å
492	L	89.9	Confident	93.9	Very high	83 Å²	83	22.2 Å²	22.2	44%	0.435	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.8	180	179.8	65.5	0	0	0	110.1	Y128 Y488 F489 L494	Y128-L492 HydrophobicContact CE1-CD2 4.36Å; Y128-L492 WeakPolarHBondContact OH-CD2 3.05Å; Y488-L492 CarbonylContact C-O 3.51Å; Y488-L492 VanDerWaalsContact CA-O 3.28Å; Y488-L492 WeakPolarHBondContact CA-O 3.34Å; F489-L492 PolarHBondContact N-O 3.25Å; F489-L492 WeakPolarHBondContact O-CB 3.42Å; F489-L492 PolarHBondContact O-N 2.65Å; L492-L494 HydrophobicContact CD2-CD2 4.11Å; L492-L494 HydrophobicContact CG-CD2 4.34Å; L492-L494 PolarHBondContact O-N 2.74Å
493	L	92	Very high	93.8	Very high	32 Å²	32	22.3 Å²	22.3	17%	0.168	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.4	169.4	177.5	67.8	0	0	0	109.1	E206 V236 P486 Y488	E206-L493 HydrophobicContact CG-CD2 4.43Å; V236-L493 HydrophobicContact CG1-CD2 3.74Å; V236-L493 HydrophobicContact CG2-CD2 3.98Å; P486-L493 HydrophobicContact CB-CD1 4.09Å; Y488-L493 HydrophobicContact CD1-CB 4.17Å; Y488-L493 HydrophobicContact CD1-CD1 4.08Å; Y488-L493 HydrophobicContact CE1-CB 3.92Å; Y488-L493 HydrophobicContact CE1-CD1 3.59Å; Y488-L493 HydrophobicContact CE1-CG 4.34Å
494	L	94.1	Very high	93.6	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.042	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-33.7	175.8	-58.2	-177.3	0	0	0	111.8	V124 E125 Y128 S205 E206 C487 F489 L492	V124-L494 HydrophobicContact CG1-CD1 4.5Å; E125-L494 HydrophobicContact CG-CD1 4.49Å; Y128-L494 HydrophobicContact CD1-CD1 4.35Å; Y128-L494 HydrophobicContact CD1-CD2 3.89Å; Y128-L494 HydrophobicContact CD2-CD1 4.1Å; Y128-L494 HydrophobicContact CD2-CD2 3.51Å; Y128-L494 HydrophobicContact CD2-CG 4.42Å; Y128-L494 HydrophobicContact CE1-CD2 3.86Å; Y128-L494 HydrophobicContact CE2-CD2 3.5Å; Y128-L494 VanDerWaalsContact CE2-CD2 3.5Å; Y128-L494 HydrophobicContact CG-CD1 3.79Å; Y128-L494 HydrophobicContact CG-CD2 3.7Å; Y128-L494 HydrophobicContact CG-CG 4.41Å; S205-L494 WeakPolarHBondContact CA-O 3.25Å; E206-L494 PolarHBondContact N-O 3.37Å; C487-L494 HydrophobicContact CB-CB 4.2Å; C487-L494 PolarHBondContact O-N 3.11Å; F489-L494 HydrophobicContact CB-CD1 4.16Å; F489-L494 HydrophobicContact CB-CD2 3.98Å; F489-L494 HydrophobicContact CB-CG 4.19Å; L492-L494 HydrophobicContact CD2-CD2 4.11Å; L492-L494 HydrophobicContact CG-CD2 4.34Å; L492-L494 PolarHBondContact O-N 2.74Å
495	G	94.4	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-161.3	-172.1	0	0	0	0	0	111.4	S204 C487	S204-G495 CarbonylContact O-C 3.34Å; S204-G495 WeakPolarHBondContact O-CA 3.5Å; C487-G495 PolarHBondContact N-O 2.76Å
496	I	96.6	Very high	93.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150	175.6	68.4	159.3	0	0	0	110.9	Y202 F203 S204 Y232 T235 V236 K485	Y202-I496 HydrophobicContact CE2-CD1 4.45Å; F203-I496 WeakPolarHBondContact CA-O 3.39Å; F203-I496 VanDerWaalsContact CD2-O 3.29Å; F203-I496 WeakPolarHBondContact CD2-O 3.47Å; S204-I496 PolarHBondContact N-O 3.03Å; S204-I496 PolarHBondContact O-N 2.76Å; Y232-I496 HydrophobicContact CD2-CD1 3.76Å; Y232-I496 HydrophobicContact CD2-CG1 3.61Å; Y232-I496 HydrophobicContact CD2-CG2 4.34Å; Y232-I496 HydrophobicContact CE2-CD1 4.48Å; Y232-I496 HydrophobicContact CE2-CG1 3.85Å; Y232-I496 HydrophobicContact CE2-CG2 4.16Å; Y232-I496 HydrophobicContact CG-CD1 4.22Å; Y232-I496 HydrophobicContact CG-CG1 4.46Å; T235-I496 HydrophobicContact CG2-CB 4.01Å; T235-I496 HydrophobicContact CG2-CD1 4.47Å; T235-I496 HydrophobicContact CG2-CG2 3.62Å; V236-I496 HydrophobicContact CG2-CG2 3.68Å; K485-I496 WeakPolarHBondContact O-CA 3.46Å
497	V	97.4	Very high	92.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.3	162.8	-72.2	0	0	0	0	109	V117 N120 K121 V124 Y202 F203 S484 K485	V117-V497 HydrophobicContact CG1-CG2 3.87Å; N120-V497 HydrophobicContact CB-CB 4.27Å; N120-V497 HydrophobicContact CB-CG1 4.15Å; K121-V497 HydrophobicContact CB-CG2 3.82Å; V124-V497 HydrophobicContact CG2-CG1 3.87Å; Y202-V497 WeakPolarHBondContact O-CA 3.3Å; F203-V497 HydrophobicContact CB-CG1 4.43Å; F203-V497 HydrophobicContact CD2-CG1 4.01Å; S484-V497 CarbonylContact C-O 3.44Å; S484-V497 VanDerWaalsContact CA-O 3.25Å; S484-V497 WeakPolarHBondContact CA-O 3.38Å; K485-V497 HydrophobicContact CB-CG2 4.4Å; K485-V497 PolarHBondContact N-O 3.32Å; K485-V497 WeakPolarHBondContact O-CG2 3.28Å; K485-V497 PolarHBondContact O-N 2.84Å
498	G	97	Very high	92.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.2	-179.8	0	0	0	0	0	111.9	Q201 Y202 V483	Q201-G498 WeakPolarHBondContact CA-O 3.42Å; Y202-G498 PolarHBondContact N-O 3.22Å; Y202-G498 PolarHBondContact O-N 2.94Å; V483-G498 WeakPolarHBondContact O-CA 3.36Å
499	V	97.1	Very high	92.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.5	174.4	179.5	0	0	0	0	108	Y113 V116 V117 I198 W200 Q201 T482 V483 V501	Y113-V499 HydrophobicContact CD1-CG1 4.39Å; V116-V499 HydrophobicContact CG1-CG1 4.49Å; V116-V499 HydrophobicContact CG1-CG2 3.64Å; V117-V499 HydrophobicContact CG2-CB 3.99Å; V117-V499 HydrophobicContact CG2-CG2 3.53Å; I198-V499 HydrophobicContact CD1-CG1 4.15Å; I198-V499 HydrophobicContact CG1-CG1 4.01Å; I198-V499 HydrophobicContact CG2-CG1 4.21Å; W200-V499 CarbonylContact O-C 3.6Å; W200-V499 WeakPolarHBondContact O-CA 3.47Å; Q201-V499 HydrophobicContact CG-CG1 4.34Å; Q201-V499 HydrophobicContact CG-CG2 4.25Å; T482-V499 WeakPolarHBondContact CA-O 3.49Å; V483-V499 PolarHBondContact N-O 3.1Å; V483-V499 PolarHBondContact O-N 3.05Å; V499-V501 HydrophobicContact CG1-CG2 4.2Å
500	D	96.4	Very high	92.8	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131	173.3	-62	-21.9	0	0	0	109.4	K199 W200 Y202 I480 T482	K199-D500 HydrophobicContact CB-CB 4.26Å; K199-D500 PolarHBondContact N-O 3.03Å; W200-D500 HydrophobicContact CB-CB 4.09Å; W200-D500 PolarHBondContact O-N 2.79Å; Y202-D500 WeakPolarHBondContact CE1-OD1 3.22Å; I480-D500 HydrophobicContact CB-CB 4.44Å; I480-D500 HydrophobicContact CD1-CB 3.91Å; T482-D500 WeakPolarHBondContact CB-OD1 3.29Å; T482-D500 WeakPolarHBondContact CG2-OD1 3.25Å; T482-D500 PolarHBondContact OG1-OD1 3Å
501	V	94.1	Very high	92.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.7	-176.9	-171	0	0	0	0	109	Y113 G197 I480 M481 V499 L503 Y505 I506	Y113-V501 HydrophobicContact CD1-CG1 4.42Å; Y113-V501 HydrophobicContact CD1-CG2 3.52Å; Y113-V501 HydrophobicContact CD2-CG1 4.32Å; Y113-V501 HydrophobicContact CD2-CG2 4.11Å; Y113-V501 HydrophobicContact CE1-CB 4.42Å; Y113-V501 HydrophobicContact CE1-CG1 3.81Å; Y113-V501 HydrophobicContact CE1-CG2 3.68Å; Y113-V501 HydrophobicContact CE2-CG1 3.7Å; Y113-V501 HydrophobicContact CE2-CG2 4.27Å; Y113-V501 HydrophobicContact CG-CG2 3.74Å; Y113-V501 VanDerWaalsContact CZ-CG1 3.41Å; G197-V501 WeakPolarHBondContact O-CA 3.26Å; G197-V501 WeakPolarHBondContact O-CG1 3.37Å; I480-V501 CarbonylContact C-O 3.58Å; I480-V501 VanDerWaalsContact CA-O 3.27Å; I480-V501 WeakPolarHBondContact CA-O 3.48Å; M481-V501 PolarHBondContact N-O 2.8Å; M481-V501 PolarHBondContact O-N 2.91Å; V499-V501 HydrophobicContact CG1-CG2 4.2Å; V501-L503 PolarHBondContact O-N 3.27Å; V501-Y505 HydrophobicContact CG1-CD1 4.41Å; V501-I506 HydrophobicContact CB-CG1 4.28Å; V501-I506 HydrophobicContact CG1-CD1 3.75Å; V501-I506 HydrophobicContact CG1-CG1 3.65Å
502	N	92.5	Very high	93	Very high	20 Å²	20	11.8 Å²	11.8	11%	0.107	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.1	176.1	-168.2	-53.6	0	0	0	111.1	G197 K199 A504 Y505 I506 Y680	G197-N502 PolarHBondContact O-N 3.39Å; K199-N502 VanDerWaalsContact CE-ND2 3.34Å; K199-N502 WeakPolarHBondContact CE-ND2 3.01Å; K199-N502 HydrophobicContact CG-CB 4.32Å; N502-A504 VanDerWaalsContact C-N 3.29Å; N502-A504 PolarHBondContact O-N 3.48Å; N502-A504 WeakPolarHBondContact OD1-CB 3.31Å; N502-A504 PolarHBondContact OD1-N 3.12Å; N502-Y505 WeakPolarHBondContact O-CB 3.42Å; N502-Y505 PolarHBondContact O-N 3.33Å; N502-Y505 VanDerWaalsContact O-N 3.13Å; N502-I506 PolarHBondContact O-N 3.44Å; N502-Y680 HydrophobicContact CB-CE2 4Å; N502-Y680 VanDerWaalsContact CG-CE2 3.44Å; N502-Y680 PolarHBondContact ND2-OH 3.1Å
503	L	92.5	Very high	92.8	Very high	3 Å²	3	10 Å²	10	2%	0.016	5%	0.049	C	C	.	.	H	α-helix	trans	-59.2	-40.4	-178	-177.7	64.6	0	0	0	112.3	P470 L479 M481 V501 Y505 I506 L507 P539	P470-L503 HydrophobicContact CB-CD1 3.76Å; P470-L503 HydrophobicContact CB-CD2 3.67Å; P470-L503 HydrophobicContact CB-CG 4.28Å; P470-L503 HydrophobicContact CG-CD1 3.56Å; P470-L503 HydrophobicContact CG-CD2 4.15Å; P470-L503 HydrophobicContact CG-CG 4.5Å; L479-L503 HydrophobicContact CB-CB 3.9Å; L479-L503 HydrophobicContact CB-CD2 3.73Å; L479-L503 HydrophobicContact CB-CG 4.48Å; L479-L503 HydrophobicContact CD1-CD2 3.8Å; L479-L503 HydrophobicContact CG-CD2 4.45Å; L479-L503 WeakPolarHBondContact O-CB 3.22Å; L479-L503 PolarHBondContact O-N 2.68Å; M481-L503 HydrophobicContact CE-CD1 4Å; V501-L503 PolarHBondContact O-N 3.27Å; L503-Y505 PolarHBondContact O-N 2.98Å; L503-I506 PolarHBondContact O-N 3.4Å; L503-L507 HydrophobicContact CD1-CD1 3.48Å; L503-L507 VanDerWaalsContact CD1-CD1 3.48Å; L503-L507 HydrophobicContact CD1-CG 3.94Å; L503-L507 HydrophobicContact CD2-CD1 4.29Å; L503-L507 HydrophobicContact CG-CD1 3.74Å; L503-L507 HydrophobicContact CG-CG 4.38Å; L503-L507 PolarHBondContact O-N 3.09Å; L503-P539 HydrophobicContact CD2-CB 4.03Å; L503-P539 HydrophobicContact CD2-CG 4.34Å; L503-P539 HydrophobicContact CG-CB 4.06Å; L503-P539 HydrophobicContact CG-CG 4.33Å
504	A	91.3	Very high	91.9	Very high	12 Å²	12	11.6 Å²	11.6	10%	0.099	6%	0.056	C	C	.	.	H	α-helix	trans	-64.1	-30.7	-179.5	0	0	0	0	0	112.2	N502 E508 P539 Y680	N502-A504 VanDerWaalsContact C-N 3.29Å; N502-A504 PolarHBondContact O-N 3.48Å; N502-A504 WeakPolarHBondContact OD1-CB 3.31Å; N502-A504 PolarHBondContact OD1-N 3.12Å; A504-E508 WeakPolarHBondContact O-CB 3.45Å; A504-E508 PolarHBondContact O-N 2.58Å; A504-E508 VanDerWaalsContact O-N 3.17Å; A504-P539 HydrophobicContact CB-CB 3.97Å; A504-Y680 HydrophobicContact CB-CD2 3.83Å; A504-Y680 HydrophobicContact CB-CE2 4.26Å
505	Y	91.5	Very high	90.8	Very high	15 Å²	15	12.2 Å²	12.2	6%	0.059	6%	0.059	C	C	.	.	H	α-helix	trans	-70.8	-46.3	174.6	-179.3	-101	0	0	0	111.8	K109 Y113 V501 N502 L503 L507 Y680	K109-Y505 HydrophobicContact CD-CD1 3.84Å; K109-Y505 HydrophobicContact CD-CE1 3.53Å; K109-Y505 WeakPolarHBondContact CE-O 3.37Å; K109-Y505 HydrophobicContact CG-CD1 4.31Å; K109-Y505 HydrophobicContact CG-CE1 3.67Å; K109-Y505 PolarHBondContact NZ-O 2.76Å; Y113-Y505 HydrophobicContact CE2-CD1 4.21Å; Y113-Y505 AromaticContact CE2-CE1 3.97Å; Y113-Y505 HydrophobicContact CE2-CE1 3.97Å; Y113-Y505 AromaticContact CZ-CE1 3.82Å; Y113-Y505 WeakPolarHBondContact OH-CD1 3.47Å; Y113-Y505 WeakPolarHBondContact OH-CE1 3.07Å; V501-Y505 HydrophobicContact CG1-CD1 4.41Å; N502-Y505 WeakPolarHBondContact O-CB 3.42Å; N502-Y505 PolarHBondContact O-N 3.33Å; N502-Y505 VanDerWaalsContact O-N 3.13Å; L503-Y505 PolarHBondContact O-N 2.98Å; Y505-L507 VanDerWaalsContact C-N 3.3Å; Y505-L507 PolarHBondContact O-N 3.08Å; Y505-Y680 AromaticContact CD2-CD1 3.41Å; Y505-Y680 HydrophobicContact CD2-CD1 3.41Å; Y505-Y680 VanDerWaalsContact CD2-CD1 3.41Å; Y505-Y680 AromaticContact CD2-CE1 3.98Å; Y505-Y680 HydrophobicContact CD2-CE1 3.98Å; Y505-Y680 AromaticContact CD2-CG 3.91Å; Y505-Y680 HydrophobicContact CD2-CG 3.91Å; Y505-Y680 HydrophobicContact CE2-CD1 4.36Å; Y505-Y680 HydrophobicContact CG-CD1 4.08Å; Y505-Y680 HydrophobicContact CG-CE1 4.36Å; Y505-Y680 HydrophobicContact CG-CG 4.39Å
506	I	90.8	Very high	89.6	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-61.4	-41.1	179.5	-67.9	-61.1	0	0	0	111.2	K109 F110 Y113 M481 V501 N502 L503	K109-I506 HydrophobicContact CD-CD1 4.14Å; K109-I506 HydrophobicContact CG-CD1 4.18Å; F110-I506 HydrophobicContact CD1-CD1 4.43Å; F110-I506 HydrophobicContact CE1-CD1 4.17Å; F110-I506 HydrophobicContact CE1-CG2 3.93Å; F110-I506 HydrophobicContact CE2-CG2 4.24Å; F110-I506 HydrophobicContact CZ-CG2 3.49Å; F110-I506 VanDerWaalsContact CZ-CG2 3.49Å; Y113-I506 HydrophobicContact CD2-CD1 3.96Å; Y113-I506 HydrophobicContact CE2-CD1 3.58Å; M481-I506 HydrophobicContact CE-CG2 4.27Å; V501-I506 HydrophobicContact CB-CG1 4.28Å; V501-I506 HydrophobicContact CG1-CD1 3.75Å; V501-I506 HydrophobicContact CG1-CG1 3.65Å; N502-I506 PolarHBondContact O-N 3.44Å; L503-I506 PolarHBondContact O-N 3.4Å
507	L	92.6	Very high	88.2	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-92.8	-6	-171.7	-62.2	-179.9	0	0	0	115.1	L503 Y505 D509 V510 T511 L523 L531 M532 P539	L503-L507 HydrophobicContact CD1-CD1 3.48Å; L503-L507 VanDerWaalsContact CD1-CD1 3.48Å; L503-L507 HydrophobicContact CD1-CG 3.94Å; L503-L507 HydrophobicContact CD2-CD1 4.29Å; L503-L507 HydrophobicContact CG-CD1 3.74Å; L503-L507 HydrophobicContact CG-CG 4.38Å; L503-L507 PolarHBondContact O-N 3.09Å; Y505-L507 VanDerWaalsContact C-N 3.3Å; Y505-L507 PolarHBondContact O-N 3.08Å; L507-D509 PolarHBondContact O-N 3.22Å; L507-V510 PolarHBondContact O-N 3.07Å; L507-T511 PolarHBondContact O-N 3.5Å; L507-T511 PolarHBondContact O-OG1 3.39Å; L507-T511 VanDerWaalsContact O-OG1 3.11Å; L507-L523 HydrophobicContact CD2-CD2 3.65Å; L507-L531 HydrophobicContact CD2-CB 4.3Å; L507-M532 HydrophobicContact CD1-CB 4.05Å; L507-M532 HydrophobicContact CD2-CB 4.09Å; L507-M532 HydrophobicContact CG-CB 4.49Å; L507-P539 HydrophobicContact CB-CG 4.25Å; L507-P539 HydrophobicContact CD1-CG 3.8Å
508	E	91.9	Very high	86.9	Confident	10 Å²	10	14.8 Å²	14.8	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-52.8	-37.4	-173.4	73.4	-174	161.1	0	0	113.7	K109 A504 V510 Y512 S678 P679 Y680	K109-E508 IonicContact NZ-OE1 2.65Å; K109-E508 PolarHBondContact NZ-OE1 3.29Å; A504-E508 WeakPolarHBondContact O-CB 3.45Å; A504-E508 PolarHBondContact O-N 2.58Å; A504-E508 VanDerWaalsContact O-N 3.17Å; E508-V510 VanDerWaalsContact C-N 3.29Å; E508-V510 PolarHBondContact O-N 3.36Å; E508-Y512 HydrophobicContact CB-CD2 4.34Å; E508-Y512 WeakPolarHBondContact O-CB 3.41Å; E508-Y512 WeakPolarHBondContact O-CD2 3.45Å; E508-Y512 PolarHBondContact O-N 2.95Å; E508-S678 PolarHBondContact OE1-OG 2.96Å; E508-S678 WeakPolarHBondContact OE2-CA 3.41Å; E508-S678 PolarHBondContact OE2-OG 2.89Å; E508-P679 HydrophobicContact CB-CB 4.47Å; E508-P679 HydrophobicContact CB-CG 4.41Å; E508-P679 VanDerWaalsContact OE2-CD 3.32Å; E508-P679 WeakPolarHBondContact OE2-CD 3.47Å; E508-Y680 VanDerWaalsContact OE2-CB 3.28Å; E508-Y680 WeakPolarHBondContact OE2-CB 3.37Å; E508-Y680 PolarHBondContact OE2-N 3.39Å
509	D	91.2	Very high	86.1	Confident	16 Å²	16	15.2 Å²	15.2	9%	0.086	8%	0.078	C	C	.	.	H	α-helix	trans	-70.5	-26.5	-178.1	-66.9	-59.9	0	0	0	112.9	L102 K105 I106 K109 L507	L102-D509 HydrophobicContact CD1-CB 4.02Å; K105-D509 WeakPolarHBondContact CE-OD1 3.25Å; K105-D509 IonicContact NZ-OD1 3.52Å; K105-D509 PolarHBondContact NZ-OD1 3.11Å; I106-D509 HydrophobicContact CG1-CB 4.5Å; K109-D509 IonicContact NZ-OD2 2.82Å; K109-D509 PolarHBondContact NZ-OD2 3.31Å; L507-D509 PolarHBondContact O-N 3.22Å
510	V	92.8	Very high	85.6	Confident	6 Å²	6	15.9 Å²	15.9	4%	0.036	8%	0.081	C	C	.	.	H	α-helix	trans	-90.2	-42.9	177	-174.8	0	0	0	0	109.7	I106 L507 E508 Y513 T521 L523 M532 L616	I106-V510 HydrophobicContact CD1-CG2 3.67Å; L507-V510 PolarHBondContact O-N 3.07Å; E508-V510 VanDerWaalsContact C-N 3.29Å; E508-V510 PolarHBondContact O-N 3.36Å; V510-Y513 WeakPolarHBondContact O-CB 3.37Å; V510-Y513 PolarHBondContact O-N 2.98Å; V510-T521 HydrophobicContact CB-CG2 4.34Å; V510-T521 HydrophobicContact CG1-CG2 3.7Å; V510-T521 WeakPolarHBondContact O-CG2 3.06Å; V510-L523 HydrophobicContact CG1-CB 4.31Å; V510-L523 HydrophobicContact CG2-CB 4.38Å; V510-M532 HydrophobicContact CB-CB 4.45Å; V510-M532 HydrophobicContact CB-CG 4.24Å; V510-M532 HydrophobicContact CG1-CB 3.9Å; V510-M532 HydrophobicContact CG1-CG 3.78Å; V510-L616 HydrophobicContact CG2-CD1 4.11Å
511	T	90	Very high	85.4	Confident	7 Å²	7	16 Å²	16	4%	0.043	8%	0.081	C	C	.	.	H	α-helix	trans	-65.7	-39.8	-178.5	-58.5	0	0	0	0	113.2	L507 M532 R538	L507-T511 PolarHBondContact O-N 3.5Å; L507-T511 PolarHBondContact O-OG1 3.39Å; L507-T511 VanDerWaalsContact O-OG1 3.11Å; T511-M532 HydrophobicContact CG2-CE 3.86Å; T511-M532 PolarHBondContact OG1-SD 2.85Å; T511-M532 VanDerWaalsContact OG1-SD 3.32Å; T511-R538 HydrophobicContact CG2-CB 4.12Å; T511-R538 HydrophobicContact CG2-CG 3.66Å
512	Y	87.9	Confident	85.4	Confident	26 Å²	26	15.9 Å²	15.9	10%	0.102	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	20.2	-179	-62.6	-85.3	0	0	0	112.7	E508 Q514 R538 A673 P679 L683	E508-Y512 HydrophobicContact CB-CD2 4.34Å; E508-Y512 WeakPolarHBondContact O-CB 3.41Å; E508-Y512 WeakPolarHBondContact O-CD2 3.45Å; E508-Y512 PolarHBondContact O-N 2.95Å; Y512-Q514 PolarHBondContact O-N 3.14Å; Y512-R538 PolarHBondContact OH-NH1 3.15Å; Y512-A673 HydrophobicContact CE1-CB 3.94Å; Y512-P679 HydrophobicContact CD1-CB 4.37Å; Y512-P679 HydrophobicContact CD1-CG 4.35Å; Y512-P679 HydrophobicContact CD2-CB 3.44Å; Y512-P679 VanDerWaalsContact CD2-CB 3.44Å; Y512-P679 HydrophobicContact CD2-CG 3.48Å; Y512-P679 VanDerWaalsContact CD2-CG 3.48Å; Y512-P679 HydrophobicContact CE1-CB 4.34Å; Y512-P679 HydrophobicContact CE2-CB 3.39Å; Y512-P679 HydrophobicContact CE2-CG 4.02Å; Y512-P679 HydrophobicContact CG-CB 3.94Å; Y512-P679 HydrophobicContact CG-CG 3.67Å; Y512-L683 WeakPolarHBondContact OH-CD1 3.49Å
513	Y	85.5	Confident	85.5	Confident	46 Å²	46	15 Å²	15	18%	0.18	8%	0.076	C	C	.	.			trans	-65.1	120.9	172	-174.5	-96.1	0	0	0	109.7	E98 L102 V510 D515 T521 I618	E98-Y513 PolarHBondContact OE2-OH 3.4Å; L102-Y513 HydrophobicContact CD2-CD2 3.7Å; L102-Y513 HydrophobicContact CD2-CE2 3.88Å; V510-Y513 WeakPolarHBondContact O-CB 3.37Å; V510-Y513 PolarHBondContact O-N 2.98Å; Y513-D515 HydrophobicContact CE1-CB 3.88Å; Y513-D515 WeakPolarHBondContact OH-CB 3.14Å; Y513-T521 HydrophobicContact CD1-CG2 3.79Å; Y513-T521 HydrophobicContact CD2-CG2 4.22Å; Y513-T521 HydrophobicContact CG-CG2 3.5Å; Y513-I618 HydrophobicContact CE2-CD1 4.39Å
514	Q	73.1	Confident	85.7	Confident	65 Å²	65	14.9 Å²	14.9	30%	0.304	8%	0.075	S	C	.	.			trans	-150.7	83	-179.7	-165.1	163.3	-6.2	0	0	109.4	Y512 P750	Y512-Q514 PolarHBondContact O-N 3.14Å; Q514-P750 PolarHBondContact NE2-O 3.01Å; Q514-P750 PolarHBondContact OE1-O 3.19Å
515	D	70.7	Confident	85.7	Confident	21 Å²	21	14.4 Å²	14.4	11%	0.112	7%	0.071	C	C	.	.	S	Bend	trans	-92.2	-40.6	176.5	-165.7	56.3	0	0	0	111.6	K91 S93 Y513 V627	K91-D515 IonicContact NZ-OD1 2.7Å; K91-D515 PolarHBondContact NZ-OD1 3.4Å; K91-D515 IonicContact NZ-OD2 2.79Å; S93-D515 WeakPolarHBondContact CB-OD2 3.33Å; S93-D515 PolarHBondContact OG-OD2 2.89Å; Y513-D515 HydrophobicContact CE1-CB 3.88Å; Y513-D515 WeakPolarHBondContact OH-CB 3.14Å; D515-V627 WeakPolarHBondContact O-CG2 3.34Å
516	S	68.8	Low	85.6	Confident	20 Å²	20	17.6 Å²	17.6	14%	0.14	9%	0.089	C	C	.	.			trans	-146	165.7	171.5	79.6	0	0	0	0	111.1	A518 S519	S516-A518 PolarHBondContact O-N 3.24Å; S516-A518 WeakPolarHBondContact OG-CA 3.39Å; S516-A518 PolarHBondContact OG-N 3.01Å; S516-S519 PolarHBondContact N-OG 3.34Å; S516-S519 PolarHBondContact O-N 2.92Å; S516-S519 WeakPolarHBondContact OG-CB 3.37Å; S516-S519 PolarHBondContact OG-N 3.37Å; S516-S519 PolarHBondContact OG-OG 3.12Å
517	L	67.1	Low	85.4	Confident	30 Å²	30	20.3 Å²	20.3	16%	0.157	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.8	169.4	-66	173.6	0	0	0	112.8	V778	L517-V778 HydrophobicContact CD1-CG1 4.21Å
518	A	70.4	Confident	85.3	Confident	7 Å²	7	20.3 Å²	20.3	6%	0.058	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	3.4	-177	0	0	0	0	0	114.1	S516 L592 I621	S516-A518 PolarHBondContact O-N 3.24Å; S516-A518 WeakPolarHBondContact OG-CA 3.39Å; S516-A518 PolarHBondContact OG-N 3.01Å; A518-L592 HydrophobicContact CB-CD1 3.34Å; A518-L592 HydrophobicContact CB-CD2 4.12Å; A518-L592 HydrophobicContact CB-CG 4.27Å; A518-I621 PolarHBondContact O-N 3.33Å
519	S	80.6	Confident	85.2	Confident	8 Å²	8	21.4 Å²	21.4	6%	0.056	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.7	-179	59	0	0	0	0	111.5	S516 V619	S516-S519 PolarHBondContact N-OG 3.34Å; S516-S519 PolarHBondContact O-N 2.92Å; S516-S519 WeakPolarHBondContact OG-CB 3.37Å; S516-S519 PolarHBondContact OG-N 3.37Å; S516-S519 PolarHBondContact OG-OG 3.12Å; S519-V619 WeakPolarHBondContact CA-O 3.44Å; S519-V619 WeakPolarHBondContact CB-O 3.01Å
520	Y	86.3	Confident	85.2	Confident	15 Å²	15	21.1 Å²	21.1	6%	0.059	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	171	173.2	66.1	-88.6	0	0	0	109.8	F522 H533 P534 E555 H588 V619	Y520-F522 HydrophobicContact CE2-CD1 4.21Å; Y520-H533 AromaticContact CE2-NE2 3.84Å; Y520-P534 HydrophobicContact CD2-CG 3.55Å; Y520-P534 HydrophobicContact CE2-CG 4.47Å; Y520-P534 HydrophobicContact CG-CG 3.86Å; Y520-E555 WeakPolarHBondContact CE2-OE1 3.41Å; Y520-E555 VanDerWaalsContact CZ-OE1 3.29Å; Y520-E555 VanDerWaalsContact OH-CD 3.24Å; Y520-E555 PolarHBondContact OH-OE1 3.34Å; Y520-E555 PolarHBondContact OH-OE2 3.32Å; Y520-E555 VanDerWaalsContact OH-OE2 3.11Å; Y520-H588 AromaticContact CD1-CD2 3.76Å; Y520-H588 AromaticContact CD1-NE2 3.86Å; Y520-H588 AromaticContact CG-NE2 3.84Å; Y520-V619 HydrophobicContact CD1-CB 4.1Å; Y520-V619 HydrophobicContact CD2-CB 4.26Å; Y520-V619 HydrophobicContact CD2-CG2 4.26Å; Y520-V619 HydrophobicContact CE1-CB 3.68Å; Y520-V619 HydrophobicContact CE1-CG1 3.72Å; Y520-V619 HydrophobicContact CE1-CG2 4.34Å; Y520-V619 HydrophobicContact CE2-CB 3.87Å; Y520-V619 HydrophobicContact CE2-CG1 4.48Å; Y520-V619 HydrophobicContact CE2-CG2 3.66Å; Y520-V619 HydrophobicContact CG-CB 4.38Å; Y520-V619 PolarHBondContact N-O 2.7Å; Y520-V619 PolarHBondContact O-N 3.05Å
521	T	91.7	Very high	85.2	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.9	-179	-178.5	0	0	0	0	110.5	V510 Y513 P534 L616 C617	V510-T521 HydrophobicContact CB-CG2 4.34Å; V510-T521 HydrophobicContact CG1-CG2 3.7Å; V510-T521 WeakPolarHBondContact O-CG2 3.06Å; Y513-T521 HydrophobicContact CD1-CG2 3.79Å; Y513-T521 HydrophobicContact CD2-CG2 4.22Å; Y513-T521 HydrophobicContact CG-CG2 3.5Å; T521-P534 WeakPolarHBondContact O-CD 3.44Å; T521-L616 WeakPolarHBondContact OG1-CD1 3.45Å; T521-C617 WeakPolarHBondContact CA-O 3.09Å; T521-C617 WeakPolarHBondContact CB-O 3.4Å; T521-C617 PolarHBondContact OG1-O 2.94Å
522	F	93.6	Very high	85.2	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.6	171.1	62	-103.6	0	0	0	110.4	Y520 I524 M532 H533 I551 E555 I567 Y604 C617 V619	Y520-F522 HydrophobicContact CE2-CD1 4.21Å; F522-I524 HydrophobicContact CD2-CG2 3.84Å; F522-I524 HydrophobicContact CE2-CG2 4.12Å; F522-M532 CarbonylContact C-O 3.59Å; F522-M532 WeakPolarHBondContact CA-O 3.27Å; F522-M532 WeakPolarHBondContact CB-O 3.25Å; F522-H533 HydrophobicContact CB-CB 4.24Å; F522-I551 HydrophobicContact CB-CD1 4.46Å; F522-I551 HydrophobicContact CD1-CD1 4.26Å; F522-I551 HydrophobicContact CD2-CD1 3.75Å; F522-I551 HydrophobicContact CD2-CG1 4.13Å; F522-I551 HydrophobicContact CE1-CD1 4.4Å; F522-I551 HydrophobicContact CE2-CD1 3.91Å; F522-I551 HydrophobicContact CE2-CG1 3.78Å; F522-I551 HydrophobicContact CG-CD1 3.92Å; F522-I551 HydrophobicContact CZ-CD1 4.23Å; F522-I551 HydrophobicContact CZ-CG1 4.05Å; F522-E555 HydrophobicContact CE1-CG 4.23Å; F522-I567 HydrophobicContact CZ-CD1 4.34Å; F522-Y604 HydrophobicContact CE1-CE1 4.46Å; F522-C617 HydrophobicContact CD1-CB 4.26Å; F522-C617 HydrophobicContact CD2-CB 3.87Å; F522-C617 HydrophobicContact CE1-CB 3.79Å; F522-C617 HydrophobicContact CE2-CB 3.35Å; F522-C617 HydrophobicContact CG-CB 4.3Å; F522-C617 HydrophobicContact CZ-CB 3.31Å; F522-C617 VanDerWaalsContact CZ-SG 3.58Å; F522-C617 PolarHBondContact N-O 3.39Å; F522-C617 PolarHBondContact O-N 3.06Å; F522-V619 HydrophobicContact CD1-CG2 4.03Å; F522-V619 HydrophobicContact CE1-CG2 3.59Å
523	L	95.6	Very high	85.3	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.6	177.9	-171.5	74.1	0	0	0	108.9	L507 V510 L531 M532 F614 L616	L507-L523 HydrophobicContact CD2-CD2 3.65Å; V510-L523 HydrophobicContact CG1-CB 4.31Å; V510-L523 HydrophobicContact CG2-CB 4.38Å; L523-L531 HydrophobicContact CB-CB 4.5Å; L523-L531 HydrophobicContact CD2-CB 4.39Å; L523-L531 HydrophobicContact CD2-CD2 4.11Å; L523-L531 PolarHBondContact O-N 3.49Å; L523-M532 PolarHBondContact N-O 2.91Å; L523-M532 PolarHBondContact O-N 3.21Å; L523-F614 HydrophobicContact CD1-CB 4.11Å; L523-F614 HydrophobicContact CG-CB 4.47Å; L523-L616 HydrophobicContact CD1-CB 4.13Å; L523-L616 HydrophobicContact CD1-CD1 4.23Å
524	I	95.6	Very high	85.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	162.4	180	62.4	170.7	0	0	0	110.7	F522 Y529 I551 I567 L568 F614 I615	F522-I524 HydrophobicContact CD2-CG2 3.84Å; F522-I524 HydrophobicContact CE2-CG2 4.12Å; I524-Y529 CarbonylContact C-O 3.6Å; I524-Y529 WeakPolarHBondContact CA-O 3.48Å; I524-Y529 WeakPolarHBondContact CB-O 3.16Å; I524-I551 HydrophobicContact CD1-CG2 4.29Å; I524-I551 HydrophobicContact CG2-CB 3.78Å; I524-I551 HydrophobicContact CG2-CD1 4.14Å; I524-I551 HydrophobicContact CG2-CG1 4.02Å; I524-I551 HydrophobicContact CG2-CG2 4.31Å; I524-I567 HydrophobicContact CD1-CG2 3.65Å; I524-L568 HydrophobicContact CD1-CD2 4.13Å; I524-F614 CarbonylContact O-C 3.52Å; I524-F614 WeakPolarHBondContact O-CA 3.47Å; I524-I615 HydrophobicContact CD1-CB 4.47Å; I524-I615 HydrophobicContact CG1-CB 3.97Å; I524-I615 PolarHBondContact N-O 3.26Å; I524-I615 PolarHBondContact O-N 2.72Å
525	D	92.7	Very high	85.5	Confident	2 Å²	2	16 Å²	16	1%	0.011	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	176.8	166.6	80.8	-6.2	0	0	0	112.4	H275 L469 K527 G528 Y529 L531 S613 F614	H275-D525 IonicContact CD2-OD2 3.02Å; H275-D525 IonicContact CE1-OD2 3.59Å; H275-D525 IonicContact NE2-OD2 2.64Å; H275-D525 PolarHBondContact NE2-OD2 3.31Å; L469-D525 HydrophobicContact CD2-CB 4.47Å; D525-K527 PolarHBondContact O-N 3.27Å; D525-K527 WeakPolarHBondContact OD1-CA 3.25Å; D525-K527 PolarHBondContact OD1-N 2.67Å; D525-G528 PolarHBondContact O-N 2.89Å; D525-G528 PolarHBondContact OD1-N 2.84Å; D525-Y529 PolarHBondContact N-O 3.18Å; D525-Y529 PolarHBondContact OD1-N 3.03Å; D525-Y529 WeakPolarHBondContact OD2-CD2 3.35Å; D525-L531 HydrophobicContact CB-CD1 4.28Å; D525-S613 CarbonylContact C-O 3.57Å; D525-F614 HydrophobicContact CB-CD1 4.33Å; D525-F614 HydrophobicContact CB-CE1 4.38Å
526	D	88.8	Confident	86.1	Confident	83 Å²	83	15.7 Å²	15.7	44%	0.444	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.1	179.7	67.3	-18.4	0	0	0	114.2	S613	D526-S613 PolarHBondContact N-O 3.45Å
527	K	86.6	Confident	86.8	Confident	60 Å²	60	16.5 Å²	16.5	26%	0.261	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-12.6	172.6	-50.4	-149.8	-162.7	-177.7	0	112.7	S240 H275 D525 Y529 R564	S240-K527 PolarHBondContact OG-NZ 2.99Å; H275-K527 HydrophobicContact CB-CD 4.48Å; H275-K527 VanDerWaalsContact CD2-CD 3.42Å; H275-K527 WeakPolarHBondContact CD2-CD 3.33Å; H275-K527 WeakPolarHBondContact CD2-CE 3.47Å; H275-K527 PolarHBondContact O-NZ 3.41Å; H275-K527 VanDerWaalsContact O-NZ 3.15Å; D525-K527 PolarHBondContact O-N 3.27Å; D525-K527 WeakPolarHBondContact OD1-CA 3.25Å; D525-K527 PolarHBondContact OD1-N 2.67Å; K527-Y529 HydrophobicContact CB-CD2 4.16Å; K527-Y529 HydrophobicContact CB-CE2 4.35Å; K527-R564 PolarHBondContact O-NH2 2.79Å
528	G	90	Very high	87.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.			trans	102.5	3.1	179.1	0	0	0	0	0	114.9	D525 D550 I551	D525-G528 PolarHBondContact O-N 2.89Å; D525-G528 PolarHBondContact OD1-N 2.84Å; G528-D550 CarbonylContact O-C 3.51Å; G528-D550 WeakPolarHBondContact O-CA 3.48Å; G528-I551 PolarHBondContact O-N 3.07Å
529	Y	90.9	Very high	88.4	Confident	33 Å²	33	15.7 Å²	15.7	13%	0.129	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-68	133	174.7	-69.7	-65.1	0	0	0	111	E274 L469 I524 D525 K527 H548	E274-Y529 PolarHBondContact O-OH 2.83Å; L469-Y529 HydrophobicContact CD1-CD2 4.15Å; L469-Y529 HydrophobicContact CD1-CG 4.33Å; I524-Y529 CarbonylContact C-O 3.6Å; I524-Y529 WeakPolarHBondContact CA-O 3.48Å; I524-Y529 WeakPolarHBondContact CB-O 3.16Å; D525-Y529 PolarHBondContact N-O 3.18Å; D525-Y529 PolarHBondContact OD1-N 3.03Å; D525-Y529 WeakPolarHBondContact OD2-CD2 3.35Å; K527-Y529 HydrophobicContact CB-CD2 4.16Å; K527-Y529 HydrophobicContact CB-CE2 4.35Å; Y529-H548 HydrophobicContact CD1-CB 3.89Å; Y529-H548 HydrophobicContact CE1-CB 4.28Å; Y529-H548 WeakPolarHBondContact CE1-O 3.37Å; Y529-H548 HydrophobicContact CG-CB 4.42Å
530	T	91.6	Very high	88.5	Confident	10 Å²	10	20 Å²	20	6%	0.061	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.3	-175.9	-53.2	0	0	0	0	111.2	H533 L536 T549 I551 Y554	T530-H533 HydrophobicContact CG2-CB 3.7Å; T530-L536 HydrophobicContact CG2-CD1 4.12Å; T530-T549 WeakPolarHBondContact CB-O 3.43Å; T530-T549 PolarHBondContact N-O 3.31Å; T530-T549 PolarHBondContact OG1-O 3.46Å; T530-T549 VanDerWaalsContact OG1-O 3.13Å; T530-I551 HydrophobicContact CG2-CD1 4.32Å; T530-I551 WeakPolarHBondContact OG1-CA 3.27Å; T530-I551 PolarHBondContact OG1-N 3.42Å; T530-Y554 HydrophobicContact CG2-CD2 4.07Å; T530-Y554 HydrophobicContact CG2-CE2 4.14Å; T530-Y554 WeakPolarHBondContact OG1-CD2 3.4Å
531	L	92.1	Very high	88.2	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.037	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-42.1	172.6	-80.5	74.5	0	0	0	111.5	L469 P470 M481 L507 L523 D525 F614	L469-L531 HydrophobicContact CD2-CD1 4.23Å; P470-L531 HydrophobicContact CG-CG 4.39Å; M481-L531 HydrophobicContact CE-CD2 3.52Å; L507-L531 HydrophobicContact CD2-CB 4.3Å; L523-L531 HydrophobicContact CB-CB 4.5Å; L523-L531 HydrophobicContact CD2-CB 4.39Å; L523-L531 HydrophobicContact CD2-CD2 4.11Å; L523-L531 PolarHBondContact O-N 3.49Å; D525-L531 HydrophobicContact CB-CD1 4.28Å; L531-F614 HydrophobicContact CD1-CD1 4.04Å; L531-F614 HydrophobicContact CD1-CE1 3.84Å; L531-F614 HydrophobicContact CD2-CD1 3.77Å; L531-F614 HydrophobicContact CD2-CE1 3.34Å; L531-F614 HydrophobicContact CD2-CZ 3.83Å; L531-F614 HydrophobicContact CG-CE1 4.23Å
532	M	90.7	Very high	87.6	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.025	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.4	177.3	-173.5	61.3	-154.9	0	0	110.2	L507 V510 T511 F522 L523 P539	L507-M532 HydrophobicContact CD1-CB 4.05Å; L507-M532 HydrophobicContact CD2-CB 4.09Å; L507-M532 HydrophobicContact CG-CB 4.49Å; V510-M532 HydrophobicContact CB-CB 4.45Å; V510-M532 HydrophobicContact CB-CG 4.24Å; V510-M532 HydrophobicContact CG1-CB 3.9Å; V510-M532 HydrophobicContact CG1-CG 3.78Å; T511-M532 HydrophobicContact CG2-CE 3.86Å; T511-M532 PolarHBondContact OG1-SD 2.85Å; T511-M532 VanDerWaalsContact OG1-SD 3.32Å; F522-M532 CarbonylContact C-O 3.59Å; F522-M532 WeakPolarHBondContact CA-O 3.27Å; F522-M532 WeakPolarHBondContact CB-O 3.25Å; L523-M532 PolarHBondContact N-O 2.91Å; L523-M532 PolarHBondContact O-N 3.21Å; M532-P539 HydrophobicContact SD-CG 4.44Å
533	H	89.2	Confident	86.5	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.			trans	-147.8	149.2	171.8	178.4	-90.5	0	0	0	107.8	Y520 F522 T530 S535 L536 E555	Y520-H533 AromaticContact CE2-NE2 3.84Å; F522-H533 HydrophobicContact CB-CB 4.24Å; T530-H533 HydrophobicContact CG2-CB 3.7Å; H533-S535 PolarHBondContact CE1-OG 3.26Å; H533-S535 WeakPolarHBondContact ND1-CB 3.3Å; H533-S535 PolarHBondContact ND1-N 3.4Å; H533-S535 VanDerWaalsContact ND1-N 3.15Å; H533-S535 PolarHBondContact ND1-OG 3.38Å; H533-S535 PolarHBondContact O-N 2.96Å; H533-L536 HydrophobicContact CB-CD1 4.35Å; H533-L536 HydrophobicContact CB-CG 4.37Å; H533-L536 VanDerWaalsContact O-CB 3.31Å; H533-L536 WeakPolarHBondContact O-CB 3.37Å; H533-L536 PolarHBondContact O-N 3.46Å; H533-E555 IonicContact NE2-OE1 2.7Å
534	P	82.9	Confident	85.6	Confident	13 Å²	13	35 Å²	35	8%	0.084	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.8	-175.5	-26.3	34.4	0	0	0	115.4	Y520 T521 L536 W587 V1012	Y520-P534 HydrophobicContact CD2-CG 3.55Å; Y520-P534 HydrophobicContact CE2-CG 4.47Å; Y520-P534 HydrophobicContact CG-CG 3.86Å; T521-P534 WeakPolarHBondContact O-CD 3.44Å; P534-L536 VanDerWaalsContact C-N 3.26Å; P534-W587 HydrophobicContact CB-CH2 3.83Å; P534-W587 HydrophobicContact CB-CZ2 3.59Å; P534-V1012 WeakPolarHBondContact O-CG2 3.32Å
535	S	80.5	Confident	84.5	Confident	18 Å²	18	37.7 Å²	37.7	13%	0.126	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.7	173.9	-49.8	0	0	0	0	113.7	H533 W587	H533-S535 PolarHBondContact CE1-OG 3.26Å; H533-S535 WeakPolarHBondContact ND1-CB 3.3Å; H533-S535 PolarHBondContact ND1-N 3.4Å; H533-S535 VanDerWaalsContact ND1-N 3.15Å; H533-S535 PolarHBondContact ND1-OG 3.38Å; H533-S535 PolarHBondContact O-N 2.96Å; S535-W587 PolarHBondContact OG-NE1 3.04Å
536	L	83.3	Confident	83.7	Confident	14 Å²	14	38.8 Å²	38.8	7%	0.073	21%	0.206	C	C	.	.	S	Bend	trans	-84.4	143.4	173.6	-66.5	175.9	0	0	0	110.3	T530 H533 P534 Y554	T530-L536 HydrophobicContact CG2-CD1 4.12Å; H533-L536 HydrophobicContact CB-CD1 4.35Å; H533-L536 HydrophobicContact CB-CG 4.37Å; H533-L536 VanDerWaalsContact O-CB 3.31Å; H533-L536 WeakPolarHBondContact O-CB 3.37Å; H533-L536 PolarHBondContact O-N 3.46Å; P534-L536 VanDerWaalsContact C-N 3.26Å; L536-Y554 HydrophobicContact CD2-CE1 4Å; L536-Y554 WeakPolarHBondContact CD2-OH 3.47Å; L536-Y554 HydrophobicContact CG-CE1 4.44Å
537	T	83.2	Confident	83.3	Confident	38 Å²	38	36.7 Å²	36.7	23%	0.233	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-59.9	144.5	169.5	-53.5	0	0	0	0	110.3	L541 L542	T537-L541 HydrophobicContact CG2-CB 3.99Å; T537-L542 HydrophobicContact CG2-CD2 4.08Å; T537-L542 HydrophobicContact CG2-CG 4.38Å
538	R	85.3	Confident	83.2	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.026	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-58.7	136.3	179.8	-64.8	-169.2	-78.7	165.4	-4.9	110.4	T511 Y512 Y540 L541 L542 A765 E1015	T511-R538 HydrophobicContact CG2-CB 4.12Å; T511-R538 HydrophobicContact CG2-CG 3.66Å; Y512-R538 PolarHBondContact OH-NH1 3.15Å; R538-Y540 PolarHBondContact O-N 3.33Å; R538-L541 HydrophobicContact CB-CD1 4.47Å; R538-L541 PolarHBondContact O-N 3.49Å; R538-L542 PolarHBondContact O-N 3.36Å; R538-A765 PolarHBondContact NH2-O 3.28Å; R538-E1015 IonicContact CZ-OE1 3.63Å; R538-E1015 IonicContact CZ-OE2 2.77Å; R538-E1015 IonicContact NE-OE1 3.48Å; R538-E1015 PolarHBondContact NE-OE1 2.8Å; R538-E1015 IonicContact NE-OE2 2.76Å; R538-E1015 VanDerWaalsContact NH2-CD 3.28Å; R538-E1015 IonicContact NH2-OE1 2.84Å; R538-E1015 PolarHBondContact NH2-OE1 3.34Å; R538-E1015 IonicContact NH2-OE2 3.76Å; R538-E1015 PolarHBondContact NH2-OE2 2.82Å
539	P	86.3	Confident	83	Confident	12 Å²	12	35.1 Å²	35.1	8%	0.078	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.6	-31.9	-179.5	-31.8	36.7	0	0	0	115.4	L503 A504 L507 M532 L541 L542	L503-P539 HydrophobicContact CD2-CB 4.03Å; L503-P539 HydrophobicContact CD2-CG 4.34Å; L503-P539 HydrophobicContact CG-CB 4.06Å; L503-P539 HydrophobicContact CG-CG 4.33Å; A504-P539 HydrophobicContact CB-CB 3.97Å; L507-P539 HydrophobicContact CB-CG 4.25Å; L507-P539 HydrophobicContact CD1-CG 3.8Å; M532-P539 HydrophobicContact SD-CG 4.44Å; P539-L541 VanDerWaalsContact C-N 3.28Å; P539-L541 PolarHBondContact O-N 3.44Å; P539-L542 PolarHBondContact O-N 3.19Å
540	Y	82.3	Confident	82.8	Confident	98 Å²	98	35 Å²	35	38%	0.384	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-69.1	-23.6	178.6	-173.2	-91.5	0	0	0	113.6	R538 L683 A765	R538-Y540 PolarHBondContact O-N 3.33Å; Y540-L683 HydrophobicContact CD1-CD1 4.11Å; Y540-L683 HydrophobicContact CD2-CB 4.01Å; Y540-L683 HydrophobicContact CD2-CD1 4.25Å; Y540-L683 HydrophobicContact CE1-CB 4.36Å; Y540-L683 HydrophobicContact CE1-CD2 4.49Å; Y540-L683 HydrophobicContact CE2-CB 3.71Å; Y540-L683 HydrophobicContact CG-CB 4.45Å; Y540-L683 HydrophobicContact CG-CD1 3.96Å; Y540-L683 PolarHBondContact OH-O 2.83Å; Y540-L683 VanDerWaalsContact OH-O 3.13Å; Y540-A765 HydrophobicContact CE1-CB 4.42Å
541	L	80.2	Confident	82.7	Confident	48 Å²	48	34.6 Å²	34.6	25%	0.251	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-98.1	-3.8	-179.6	-61.6	176.4	0	0	0	112.7	T537 R538 P539 E1015	T537-L541 HydrophobicContact CG2-CB 3.99Å; R538-L541 HydrophobicContact CB-CD1 4.47Å; R538-L541 PolarHBondContact O-N 3.49Å; P539-L541 VanDerWaalsContact C-N 3.28Å; P539-L541 PolarHBondContact O-N 3.44Å; L541-E1015 HydrophobicContact CD1-CB 3.9Å; L541-E1015 VanDerWaalsContact CD1-CD 3.47Å; L541-E1015 HydrophobicContact CD1-CG 3.64Å
542	L	78.2	Confident	82.4	Confident	40 Å²	40	36.1 Å²	36.1	21%	0.209	20%	0.196	C	C	.	.			trans	-83	121.7	-179.5	-73.3	175.7	0	0	0	110.4	L479 T537 R538 P539 P546	L479-L542 HydrophobicContact CD1-CB 3.6Å; L479-L542 HydrophobicContact CD1-CD1 3.68Å; L479-L542 HydrophobicContact CD1-CG 4.29Å; L479-L542 HydrophobicContact CG-CB 4.48Å; T537-L542 HydrophobicContact CG2-CD2 4.08Å; T537-L542 HydrophobicContact CG2-CG 4.38Å; R538-L542 PolarHBondContact O-N 3.36Å; P539-L542 PolarHBondContact O-N 3.19Å; L542-P546 HydrophobicContact CD1-CB 4.49Å; L542-P546 HydrophobicContact CD1-CG 4.37Å
543	S	70.5	Confident	82.1	Confident	100 Å²	100	36.7 Å²	36.7	70%	0.699	20%	0.199	S	C	*	.	S	Bend	trans	-89.4	-23.7	169.2	56.6	0	0	0	0	112.9
544	E	76.3	Confident	81.8	Confident	147 Å²	147	37.1 Å²	37.1	69%	0.687	20%	0.2	S	C	*	.	S	Bend	trans	-121.1	147.8	-178.8	-67.3	-173.9	-177.1	0	0	110.6
545	P	73.8	Confident	81.8	Confident	57 Å²	57	36.5 Å²	36.5	37%	0.37	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-64.7	134.4	179.6	26.3	-33	0	0	0	110.5	L479	L479-P545 HydrophobicContact CD2-CB 3.93Å
546	P	75.3	Confident	81.6	Confident	24 Å²	24	37.1 Å²	37.1	16%	0.156	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-66.7	146.2	178.9	29.3	-34.3	0	0	0	110	L542 H548	L542-P546 HydrophobicContact CD1-CB 4.49Å; L542-P546 HydrophobicContact CD1-CG 4.37Å; P546-H548 PolarHBondContact O-N 2.86Å
547	L	79.9	Confident	81.3	Confident	39 Å²	39	37 Å²	37	20%	0.204	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-67.7	117.6	174	-66.4	168.7	0	0	0	110	E306 T549 R910	E306-L547 HydrophobicContact CG-CD2 3.78Å; E306-L547 WeakPolarHBondContact OE1-CD1 3.27Å; L547-T549 PolarHBondContact O-N 3.38Å; L547-T549 PolarHBondContact O-OG1 2.88Å; L547-R910 HydrophobicContact CD1-CG 3.5Å
548	H	85.1	Confident	81.1	Confident	23 Å²	23	38.1 Å²	38.1	11%	0.106	21%	0.205	C	C	.	.			trans	-60.1	99.3	175.9	-56.9	-53.8	0	0	0	110.1	E274 L469 P470 Y529 P546	E274-H548 HydrophobicContact CG-CB 4.47Å; L469-H548 HydrophobicContact CD1-CB 4.17Å; P470-H548 PolarHBondContact O-CE1 2.94Å; P470-H548 PolarHBondContact O-NE2 3.4Å; Y529-H548 HydrophobicContact CD1-CB 3.89Å; Y529-H548 HydrophobicContact CE1-CB 4.28Å; Y529-H548 WeakPolarHBondContact CE1-O 3.37Å; Y529-H548 HydrophobicContact CG-CB 4.42Å; P546-H548 PolarHBondContact O-N 2.86Å
549	T	84.8	Confident	81	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.031	24%	0.235	C	C	.	.			trans	-119.5	138.8	-173.2	-59.1	0	0	0	0	109.2	T530 L547 H553 Y554 F907	T530-T549 WeakPolarHBondContact CB-O 3.43Å; T530-T549 PolarHBondContact N-O 3.31Å; T530-T549 PolarHBondContact OG1-O 3.46Å; T530-T549 VanDerWaalsContact OG1-O 3.13Å; L547-T549 PolarHBondContact O-N 3.38Å; L547-T549 PolarHBondContact O-OG1 2.88Å; T549-H553 HydrophobicContact CG2-CB 3.84Å; T549-Y554 HydrophobicContact CG2-CE2 3.95Å; T549-F907 HydrophobicContact CG2-CB 4.22Å; T549-F907 HydrophobicContact CG2-CD1 4.11Å; T549-F907 HydrophobicContact CG2-CG 4.27Å
550	D	87.2	Confident	81.1	Confident	31 Å²	31	44.4 Å²	44.4	17%	0.166	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-65.5	141	178.4	-166.4	-68.4	0	0	0	111.8	G528 I552 H553 R564	G528-D550 CarbonylContact O-C 3.51Å; G528-D550 WeakPolarHBondContact O-CA 3.48Å; D550-I552 HydrophobicContact CB-CG2 4Å; D550-I552 PolarHBondContact O-N 3.43Å; D550-I552 VanDerWaalsContact O-N 3.13Å; D550-I552 WeakPolarHBondContact OD1-CB 3.32Å; D550-I552 WeakPolarHBondContact OD1-CG2 3.38Å; D550-I552 PolarHBondContact OD1-N 3.03Å; D550-H553 WeakPolarHBondContact O-CB 3.31Å; D550-H553 PolarHBondContact O-N 3.3Å; D550-H553 VanDerWaalsContact O-N 3.09Å; D550-R564 IonicContact OD1-CZ 3.53Å; D550-R564 IonicContact OD1-NE 3.89Å; D550-R564 PolarHBondContact OD1-NE 3.06Å; D550-R564 IonicContact OD1-NH2 2.65Å; D550-R564 IonicContact OD2-CZ 3.42Å; D550-R564 IonicContact OD2-NE 3.28Å; D550-R564 PolarHBondContact OD2-NE 3.34Å; D550-R564 IonicContact OD2-NH2 2.75Å; D550-R564 PolarHBondContact OD2-NH2 3.32Å
551	I	89.8	Confident	81.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-27.7	-180	-170.4	61.6	0	0	0	113.7	F522 I524 G528 T530 H553 Y554 E555 F560 R564	F522-I551 HydrophobicContact CB-CD1 4.46Å; F522-I551 HydrophobicContact CD1-CD1 4.26Å; F522-I551 HydrophobicContact CD2-CD1 3.75Å; F522-I551 HydrophobicContact CD2-CG1 4.13Å; F522-I551 HydrophobicContact CE1-CD1 4.4Å; F522-I551 HydrophobicContact CE2-CD1 3.91Å; F522-I551 HydrophobicContact CE2-CG1 3.78Å; F522-I551 HydrophobicContact CG-CD1 3.92Å; F522-I551 HydrophobicContact CZ-CD1 4.23Å; F522-I551 HydrophobicContact CZ-CG1 4.05Å; I524-I551 HydrophobicContact CD1-CG2 4.29Å; I524-I551 HydrophobicContact CG2-CB 3.78Å; I524-I551 HydrophobicContact CG2-CD1 4.14Å; I524-I551 HydrophobicContact CG2-CG1 4.02Å; I524-I551 HydrophobicContact CG2-CG2 4.31Å; G528-I551 PolarHBondContact O-N 3.07Å; T530-I551 HydrophobicContact CG2-CD1 4.32Å; T530-I551 WeakPolarHBondContact OG1-CA 3.27Å; T530-I551 PolarHBondContact OG1-N 3.42Å; I551-H553 PolarHBondContact O-N 3.33Å; I551-Y554 PolarHBondContact O-N 2.81Å; I551-Y554 VanDerWaalsContact O-N 3.09Å; I551-E555 HydrophobicContact CD1-CG 3.98Å; I551-E555 HydrophobicContact CG1-CG 4.05Å; I551-E555 PolarHBondContact O-N 3.45Å; I551-F560 HydrophobicContact CG1-CE1 4.33Å; I551-F560 HydrophobicContact CG1-CZ 4.06Å; I551-F560 HydrophobicContact CG2-CE1 4.24Å; I551-F560 HydrophobicContact CG2-CZ 4.39Å; I551-R564 HydrophobicContact CG2-CG 4.18Å
552	I	86.4	Confident	81.8	Confident	39 Å²	39	45.6 Å²	45.6	20%	0.2	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-27.8	176.7	-160.6	-177.4	0	0	0	113	D550 E555 E561	D550-I552 HydrophobicContact CB-CG2 4Å; D550-I552 PolarHBondContact O-N 3.43Å; D550-I552 VanDerWaalsContact O-N 3.13Å; D550-I552 WeakPolarHBondContact OD1-CB 3.32Å; D550-I552 WeakPolarHBondContact OD1-CG2 3.38Å; D550-I552 PolarHBondContact OD1-N 3.03Å; I552-E555 CarbonylContact O-C 3.57Å; I552-E561 WeakPolarHBondContact CD1-OE2 3.36Å
553	H	83.6	Confident	82.4	Confident	18 Å²	18	43.7 Å²	43.7	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-81.1	-37.5	-178.9	-66	-50	0	0	0	112.5	T549 D550 I551 F907 G998	T549-H553 HydrophobicContact CG2-CB 3.84Å; D550-H553 WeakPolarHBondContact O-CB 3.31Å; D550-H553 PolarHBondContact O-N 3.3Å; D550-H553 VanDerWaalsContact O-N 3.09Å; I551-H553 PolarHBondContact O-N 3.33Å; H553-F907 HydrophobicContact CB-CD1 4.01Å; H553-F907 HydrophobicContact CB-CD2 4.34Å; H553-F907 HydrophobicContact CB-CE1 3.59Å; H553-F907 HydrophobicContact CB-CE2 3.95Å; H553-F907 HydrophobicContact CB-CG 4.38Å; H553-F907 HydrophobicContact CB-CZ 3.56Å; H553-F907 AromaticContact CG-CE1 3.96Å; H553-F907 WeakPolarHBondContact O-CE2 3.39Å; H553-G998 PolarHBondContact CE1-O 3.3Å; H553-G998 VanDerWaalsContact CE1-O 3.24Å; H553-G998 PolarHBondContact NE2-O 2.88Å
554	Y	83.5	Confident	83.5	Confident	8 Å²	8	40.7 Å²	40.7	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-73.7	-41.9	176.1	-65.5	-68.2	0	0	0	111.3	T530 L536 T549 I551 N556 F907 S1009	T530-Y554 HydrophobicContact CG2-CD2 4.07Å; T530-Y554 HydrophobicContact CG2-CE2 4.14Å; T530-Y554 WeakPolarHBondContact OG1-CD2 3.4Å; L536-Y554 HydrophobicContact CD2-CE1 4Å; L536-Y554 WeakPolarHBondContact CD2-OH 3.47Å; L536-Y554 HydrophobicContact CG-CE1 4.44Å; T549-Y554 HydrophobicContact CG2-CE2 3.95Å; I551-Y554 PolarHBondContact O-N 2.81Å; I551-Y554 VanDerWaalsContact O-N 3.09Å; Y554-N556 VanDerWaalsContact C-N 3.33Å; Y554-N556 PolarHBondContact O-N 2.87Å; Y554-F907 HydrophobicContact CD1-CD2 4.03Å; Y554-F907 HydrophobicContact CE1-CB 3.74Å; Y554-F907 AromaticContact CE1-CD2 3.91Å; Y554-F907 HydrophobicContact CE1-CD2 3.91Å; Y554-F907 HydrophobicContact CE1-CG 4.2Å; Y554-F907 WeakPolarHBondContact OH-CB 3.22Å; Y554-S1009 WeakPolarHBondContact CA-OG 3.28Å; Y554-S1009 PolarHBondContact O-OG 3.36Å; Y554-S1009 VanDerWaalsContact O-OG 3.04Å
555	E	83.3	Confident	84.2	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-93.2	57.7	177	-66.6	-67.3	-179.3	0	0	111.4	Y520 F522 H533 I551 I552 I557 F560 Y604	Y520-E555 WeakPolarHBondContact CE2-OE1 3.41Å; Y520-E555 VanDerWaalsContact CZ-OE1 3.29Å; Y520-E555 VanDerWaalsContact OH-CD 3.24Å; Y520-E555 PolarHBondContact OH-OE1 3.34Å; Y520-E555 PolarHBondContact OH-OE2 3.32Å; Y520-E555 VanDerWaalsContact OH-OE2 3.11Å; F522-E555 HydrophobicContact CE1-CG 4.23Å; H533-E555 IonicContact NE2-OE1 2.7Å; I551-E555 HydrophobicContact CD1-CG 3.98Å; I551-E555 HydrophobicContact CG1-CG 4.05Å; I551-E555 PolarHBondContact O-N 3.45Å; I552-E555 CarbonylContact O-C 3.57Å; E555-I557 PolarHBondContact O-N 2.93Å; E555-I557 VanDerWaalsContact OE2-CD1 3.27Å; E555-I557 WeakPolarHBondContact OE2-CD1 3.36Å; E555-F560 HydrophobicContact CB-CD1 3.56Å; E555-F560 HydrophobicContact CB-CD2 3.91Å; E555-F560 HydrophobicContact CB-CE1 3.41Å; E555-F560 VanDerWaalsContact CB-CE1 3.41Å; E555-F560 HydrophobicContact CB-CE2 3.77Å; E555-F560 HydrophobicContact CB-CG 3.82Å; E555-F560 HydrophobicContact CB-CZ 3.52Å; E555-F560 HydrophobicContact CG-CD2 4.49Å; E555-F560 HydrophobicContact CG-CE1 4.14Å; E555-F560 HydrophobicContact CG-CE2 3.96Å; E555-F560 HydrophobicContact CG-CZ 3.76Å; E555-F560 VanDerWaalsContact O-CD1 3.31Å; E555-F560 WeakPolarHBondContact O-CD1 3.36Å; E555-F560 WeakPolarHBondContact O-CG 3.22Å; E555-Y604 PolarHBondContact OE2-OH 3.03Å
556	N	76.3	Confident	85.2	Confident	31 Å²	31	37.8 Å²	37.8	17%	0.166	19%	0.188	C	C	.	.			trans	-76.4	65.4	178.1	-175.6	21.9	0	0	0	111.4	Y554 S584 R1006 N1007	Y554-N556 VanDerWaalsContact C-N 3.33Å; Y554-N556 PolarHBondContact O-N 2.87Å; N556-S584 PolarHBondContact O-OG 3.25Å; N556-R1006 PolarHBondContact ND2-O 3.34Å; N556-N1007 PolarHBondContact ND2-O 2.65Å
557	I	77	Confident	86.1	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.056	18%	0.181	C	C	.	.			trans	-116.7	137.3	-177.4	-63.1	167.6	0	0	0	109.1	E555 K559 F560 I577 V579 L585 Y604	E555-I557 PolarHBondContact O-N 2.93Å; E555-I557 VanDerWaalsContact OE2-CD1 3.27Å; E555-I557 WeakPolarHBondContact OE2-CD1 3.36Å; I557-K559 PolarHBondContact O-N 2.69Å; I557-F560 HydrophobicContact CB-CB 4.29Å; I557-F560 VanDerWaalsContact O-CB 3.25Å; I557-F560 WeakPolarHBondContact O-CB 3.49Å; I557-F560 PolarHBondContact O-N 2.64Å; I557-I577 HydrophobicContact CG2-CD1 3.78Å; I557-V579 HydrophobicContact CG2-CB 4.34Å; I557-V579 HydrophobicContact CG2-CG1 3.71Å; I557-V579 HydrophobicContact CG2-CG2 3.59Å; I557-L585 HydrophobicContact CD1-CD2 3.53Å; I557-L585 HydrophobicContact CG1-CD2 3.81Å; I557-L585 HydrophobicContact CG2-CD2 4.32Å; I557-Y604 WeakPolarHBondContact CD1-OH 3.44Å
558	P	77.8	Confident	86.7	Confident	62 Å²	62	37.4 Å²	37.4	40%	0.403	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	134.2	174.4	-25.7	33.8	0	0	0	111.8	F560	P558-F560 VanDerWaalsContact C-N 3.25Å; P558-F560 PolarHBondContact O-N 3.23Å
559	K	83.6	Confident	86.9	Confident	149 Å²	149	40 Å²	40	65%	0.648	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	1.2	-177.6	-49.9	173.6	179.4	173.1	0	116	I557 E561 L562	I557-K559 PolarHBondContact O-N 2.69Å; K559-E561 PolarHBondContact O-N 2.9Å; K559-L562 PolarHBondContact O-N 3.2Å
560	F	88	Confident	87.3	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-27.8	175	-177.8	-104.6	0	0	0	113	I551 E555 I557 P558 L562 V563 R564 I567 Y604	I551-F560 HydrophobicContact CG1-CE1 4.33Å; I551-F560 HydrophobicContact CG1-CZ 4.06Å; I551-F560 HydrophobicContact CG2-CE1 4.24Å; I551-F560 HydrophobicContact CG2-CZ 4.39Å; E555-F560 HydrophobicContact CB-CD1 3.56Å; E555-F560 HydrophobicContact CB-CD2 3.91Å; E555-F560 HydrophobicContact CB-CE1 3.41Å; E555-F560 VanDerWaalsContact CB-CE1 3.41Å; E555-F560 HydrophobicContact CB-CE2 3.77Å; E555-F560 HydrophobicContact CB-CG 3.82Å; E555-F560 HydrophobicContact CB-CZ 3.52Å; E555-F560 HydrophobicContact CG-CD2 4.49Å; E555-F560 HydrophobicContact CG-CE1 4.14Å; E555-F560 HydrophobicContact CG-CE2 3.96Å; E555-F560 HydrophobicContact CG-CZ 3.76Å; E555-F560 VanDerWaalsContact O-CD1 3.31Å; E555-F560 WeakPolarHBondContact O-CD1 3.36Å; E555-F560 WeakPolarHBondContact O-CG 3.22Å; I557-F560 HydrophobicContact CB-CB 4.29Å; I557-F560 VanDerWaalsContact O-CB 3.25Å; I557-F560 WeakPolarHBondContact O-CB 3.49Å; I557-F560 PolarHBondContact O-N 2.64Å; P558-F560 VanDerWaalsContact C-N 3.25Å; P558-F560 PolarHBondContact O-N 3.23Å; F560-L562 PolarHBondContact O-N 2.85Å; F560-V563 HydrophobicContact CD2-CB 3.95Å; F560-V563 HydrophobicContact CD2-CG1 4.27Å; F560-V563 HydrophobicContact CD2-CG2 4.5Å; F560-V563 HydrophobicContact CE2-CB 4.22Å; F560-V563 HydrophobicContact CE2-CG1 4.12Å; F560-V563 CarbonylContact O-C 3.47Å; F560-V563 WeakPolarHBondContact O-CA 3.47Å; F560-V563 WeakPolarHBondContact O-CB 3.33Å; F560-V563 PolarHBondContact O-N 3.15Å; F560-R564 HydrophobicContact CD1-CB 4.32Å; F560-R564 HydrophobicContact CE1-CB 3.92Å; F560-R564 HydrophobicContact CE1-CG 4.49Å; F560-R564 HydrophobicContact CZ-CB 4.34Å; F560-R564 PolarHBondContact O-N 3.34Å; F560-I567 HydrophobicContact CE2-CD1 4.44Å; F560-I567 HydrophobicContact CZ-CD1 4.48Å; F560-Y604 HydrophobicContact CD2-CD1 4.49Å; F560-Y604 AromaticContact CD2-CE1 3.83Å; F560-Y604 HydrophobicContact CD2-CE1 3.83Å; F560-Y604 AromaticContact CD2-CZ 3.87Å; F560-Y604 AromaticContact CE2-CD1 3.99Å; F560-Y604 HydrophobicContact CE2-CD1 3.99Å; F560-Y604 AromaticContact CE2-CE1 3.53Å; F560-Y604 HydrophobicContact CE2-CE1 3.53Å
561	E	87.7	Confident	87.5	Confident	80 Å²	80	46.5 Å²	46.5	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-53	-39.5	175.5	-179.3	55.7	-150.8	0	0	112.8	I552 K559 Q565	I552-E561 WeakPolarHBondContact CD1-OE2 3.36Å; K559-E561 PolarHBondContact O-N 2.9Å; E561-Q565 VanDerWaalsContact O-CG 3.28Å; E561-Q565 WeakPolarHBondContact O-CG 3.39Å; E561-Q565 PolarHBondContact O-N 2.88Å; E561-Q565 PolarHBondContact OE1-NE2 3.32Å
562	L	89.5	Confident	87.7	Confident	90 Å²	90	50.7 Å²	50.7	47%	0.471	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-39.8	176.2	-178.9	64.3	0	0	0	111.5	K559 F560 Q565 N566	K559-L562 PolarHBondContact O-N 3.2Å; F560-L562 PolarHBondContact O-N 2.85Å; L562-Q565 PolarHBondContact O-N 2.97Å; L562-N566 PolarHBondContact O-N 3.3Å; L562-N566 VanDerWaalsContact O-N 3.09Å
563	V	92.1	Very high	88.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-47.6	176.5	-175.9	0	0	0	0	109.7	F560 Q565 N566 I567 Q575 I577 Y604 W606	F560-V563 HydrophobicContact CD2-CB 3.95Å; F560-V563 HydrophobicContact CD2-CG1 4.27Å; F560-V563 HydrophobicContact CD2-CG2 4.5Å; F560-V563 HydrophobicContact CE2-CB 4.22Å; F560-V563 HydrophobicContact CE2-CG1 4.12Å; F560-V563 CarbonylContact O-C 3.47Å; F560-V563 WeakPolarHBondContact O-CA 3.47Å; F560-V563 WeakPolarHBondContact O-CB 3.33Å; F560-V563 PolarHBondContact O-N 3.15Å; V563-Q565 VanDerWaalsContact C-N 3.33Å; V563-Q565 PolarHBondContact O-N 2.88Å; V563-N566 CarbonylContact O-C 3.56Å; V563-N566 PolarHBondContact O-N 3.34Å; V563-N566 VanDerWaalsContact O-N 3.08Å; V563-I567 HydrophobicContact CG1-CD1 3.79Å; V563-I567 HydrophobicContact CG1-CG1 4.21Å; V563-I567 VanDerWaalsContact O-CG1 3.28Å; V563-I567 WeakPolarHBondContact O-CG1 3.34Å; V563-I567 PolarHBondContact O-N 3.09Å; V563-Q575 HydrophobicContact CG2-CG 4.17Å; V563-I577 HydrophobicContact CG2-CG2 3.64Å; V563-Y604 HydrophobicContact CG1-CD1 4.12Å; V563-Y604 HydrophobicContact CG1-CD2 4.15Å; V563-Y604 HydrophobicContact CG1-CG 3.76Å; V563-Y604 HydrophobicContact CG2-CD2 4.47Å; V563-W606 HydrophobicContact CG1-CZ3 4.33Å
564	R	92.6	Very high	88.5	Confident	38 Å²	38	51.6 Å²	51.6	14%	0.143	28%	0.281	C	S	.	.	H	α-helix	trans	-56.1	-45.5	175.8	-176.5	-176.8	172.3	-68.5	-10.1	111.7	K527 D550 I551 F560 N566 I567 L568	K527-R564 PolarHBondContact O-NH2 2.79Å; D550-R564 IonicContact OD1-CZ 3.53Å; D550-R564 IonicContact OD1-NE 3.89Å; D550-R564 PolarHBondContact OD1-NE 3.06Å; D550-R564 IonicContact OD1-NH2 2.65Å; D550-R564 IonicContact OD2-CZ 3.42Å; D550-R564 IonicContact OD2-NE 3.28Å; D550-R564 PolarHBondContact OD2-NE 3.34Å; D550-R564 IonicContact OD2-NH2 2.75Å; D550-R564 PolarHBondContact OD2-NH2 3.32Å; I551-R564 HydrophobicContact CG2-CG 4.18Å; F560-R564 HydrophobicContact CD1-CB 4.32Å; F560-R564 HydrophobicContact CE1-CB 3.92Å; F560-R564 HydrophobicContact CE1-CG 4.49Å; F560-R564 HydrophobicContact CZ-CB 4.34Å; F560-R564 PolarHBondContact O-N 3.34Å; R564-N566 VanDerWaalsContact C-N 3.3Å; R564-N566 PolarHBondContact O-N 3.36Å; R564-I567 PolarHBondContact O-N 3.37Å; R564-L568 HydrophobicContact CG-CD1 4.2Å; R564-L568 WeakPolarHBondContact O-CG 3.18Å; R564-L568 PolarHBondContact O-N 3.27Å
565	Q	91.6	Very high	89	Confident	98 Å²	98	52.9 Å²	52.9	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-40.2	176.5	-73.6	172.4	18.4	0	0	112.2	E561 L562 V563 S569	E561-Q565 VanDerWaalsContact O-CG 3.28Å; E561-Q565 WeakPolarHBondContact O-CG 3.39Å; E561-Q565 PolarHBondContact O-N 2.88Å; E561-Q565 PolarHBondContact OE1-NE2 3.32Å; L562-Q565 PolarHBondContact O-N 2.97Å; V563-Q565 VanDerWaalsContact C-N 3.33Å; V563-Q565 PolarHBondContact O-N 2.88Å; Q565-S569 VanDerWaalsContact O-CB 3.29Å; Q565-S569 WeakPolarHBondContact O-CB 3.33Å; Q565-S569 PolarHBondContact O-N 3.39Å; Q565-S569 VanDerWaalsContact O-N 3.12Å; Q565-S569 PolarHBondContact O-OG 3.09Å
566	N	93.6	Very high	89.3	Confident	45 Å²	45	57.1 Å²	57.1	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-39	176	-71.5	-19.8	0	0	0	112.4	L562 V563 R564 L568 S569 L570 Q575 W606	L562-N566 PolarHBondContact O-N 3.3Å; L562-N566 VanDerWaalsContact O-N 3.09Å; V563-N566 CarbonylContact O-C 3.56Å; V563-N566 PolarHBondContact O-N 3.34Å; V563-N566 VanDerWaalsContact O-N 3.08Å; R564-N566 VanDerWaalsContact C-N 3.3Å; R564-N566 PolarHBondContact O-N 3.36Å; N566-L568 VanDerWaalsContact C-N 3.32Å; N566-L568 PolarHBondContact O-N 2.8Å; N566-S569 WeakPolarHBondContact CA-OG 3.41Å; N566-S569 PolarHBondContact O-N 3.42Å; N566-S569 PolarHBondContact O-OG 2.63Å; N566-L570 HydrophobicContact CB-CD1 4.47Å; N566-L570 WeakPolarHBondContact O-CB 3.13Å; N566-L570 PolarHBondContact O-N 3.02Å; N566-Q575 PolarHBondContact ND2-OE1 3.1Å; N566-W606 HydrophobicContact CB-CH2 3.87Å; N566-W606 HydrophobicContact CB-CZ2 3.71Å
567	I	94.7	Very high	89.9	Confident	2 Å²	2	56 Å²	56	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.2	-70.4	169.6	0	0	0	110.4	F522 I524 F560 V563 R564 W606 I615	F522-I567 HydrophobicContact CZ-CD1 4.34Å; I524-I567 HydrophobicContact CD1-CG2 3.65Å; F560-I567 HydrophobicContact CE2-CD1 4.44Å; F560-I567 HydrophobicContact CZ-CD1 4.48Å; V563-I567 HydrophobicContact CG1-CD1 3.79Å; V563-I567 HydrophobicContact CG1-CG1 4.21Å; V563-I567 VanDerWaalsContact O-CG1 3.28Å; V563-I567 WeakPolarHBondContact O-CG1 3.34Å; V563-I567 PolarHBondContact O-N 3.09Å; R564-I567 PolarHBondContact O-N 3.37Å; I567-W606 HydrophobicContact CB-CD2 4.43Å; I567-W606 HydrophobicContact CB-CG 4.35Å; I567-W606 HydrophobicContact CG1-CB 4.14Å; I567-W606 HydrophobicContact CG1-CD2 3.59Å; I567-W606 HydrophobicContact CG1-CE3 3.74Å; I567-W606 HydrophobicContact CG1-CG 3.77Å; I567-W606 HydrophobicContact CG1-CZ3 4.35Å; I567-W606 HydrophobicContact CG2-CG 4.45Å; I567-I615 HydrophobicContact CG2-CD1 4.34Å; I567-I615 HydrophobicContact CG2-CG2 3.78Å
568	L	92.1	Very high	90.3	Very high	52 Å²	52	59 Å²	59	27%	0.272	32%	0.323	S	S	.	.	H	α-helix	trans	-79.7	-16.1	-177.1	-62.8	179.7	0	0	0	114.3	I524 R564 N566 I615	I524-L568 HydrophobicContact CD1-CD2 4.13Å; R564-L568 HydrophobicContact CG-CD1 4.2Å; R564-L568 WeakPolarHBondContact O-CG 3.18Å; R564-L568 PolarHBondContact O-N 3.27Å; N566-L568 VanDerWaalsContact C-N 3.32Å; N566-L568 PolarHBondContact O-N 2.8Å; L568-I615 HydrophobicContact CD2-CD1 4.08Å
569	S	90.8	Very high	90.2	Very high	79 Å²	79	56.1 Å²	56.1	55%	0.552	30%	0.304	S	S	*	.	H	α-helix	trans	-105.4	-25.7	-177.8	58.5	0	0	0	0	114.3	Q565 N566	Q565-S569 VanDerWaalsContact O-CB 3.29Å; Q565-S569 WeakPolarHBondContact O-CB 3.33Å; Q565-S569 PolarHBondContact O-N 3.39Å; Q565-S569 VanDerWaalsContact O-N 3.12Å; Q565-S569 PolarHBondContact O-OG 3.09Å; N566-S569 WeakPolarHBondContact CA-OG 3.41Å; N566-S569 PolarHBondContact O-N 3.42Å; N566-S569 PolarHBondContact O-OG 2.63Å
570	L	92.2	Very high	89.8	Confident	85 Å²	85	52 Å²	52	45%	0.445	29%	0.292	S	S	.	.			trans	-114.7	128.7	-176.3	-59.3	175.5	0	0	0	110.8	N566 L572 W606	N566-L570 HydrophobicContact CB-CD1 4.47Å; N566-L570 WeakPolarHBondContact O-CB 3.13Å; N566-L570 PolarHBondContact O-N 3.02Å; L570-L572 VanDerWaalsContact C-N 3.25Å; L570-L572 PolarHBondContact O-N 3.4Å; L570-W606 PolarHBondContact O-NE1 2.93Å; L570-W606 VanDerWaalsContact O-NE1 3.09Å
571	P	90.9	Very high	88.6	Confident	87 Å²	87	53.2 Å²	53.2	57%	0.565	30%	0.299	S	S	*	.	S	Bend	trans	-70.8	-17.9	-177	29	-36.2	0	0	0	114	K607 M608	P571-K607 CarbonylContact O-C 3.54Å; P571-K607 WeakPolarHBondContact O-CA 3.34Å; P571-M608 HydrophobicContact CB-CB 4.13Å; P571-M608 HydrophobicContact CB-SD 4.46Å; P571-M608 WeakPolarHBondContact O-CB 3.44Å; P571-M608 PolarHBondContact O-N 3.21Å
572	L	94.4	Very high	87.1	Confident	88 Å²	88	56.4 Å²	56.4	46%	0.461	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	136.3	176	176.7	72.3	0	0	0	107.6	Q100 L570 W606 K607	Q100-L572 HydrophobicContact CG-CD1 4.37Å; L570-L572 VanDerWaalsContact C-N 3.25Å; L570-L572 PolarHBondContact O-N 3.4Å; L572-W606 WeakPolarHBondContact CA-O 3.49Å; L572-W606 WeakPolarHBondContact CD1-O 3.49Å; L572-K607 HydrophobicContact CD1-CB 3.86Å; L572-K607 HydrophobicContact CD1-CD 4.05Å; L572-K607 HydrophobicContact CD1-CG 3.98Å
573	G	93.9	Very high	85.5	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	171.1	174.5	0	0	0	0	0	112.7	W606	G573-W606 PolarHBondContact N-O 3.47Å; G573-W606 VanDerWaalsContact N-O 3.12Å; G573-W606 PolarHBondContact O-N 3.26Å
574	S	93.7	Very high	83.6	Confident	53 Å²	53	54.9 Å²	54.9	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.7	169.2	63.4	0	0	0	0	109.9	E96 Y604	E96-S574 WeakPolarHBondContact OE1-CB 3.28Å; E96-S574 PolarHBondContact OE1-OG 3.49Å; S574-Y604 CarbonylContact C-O 3.57Å; S574-Y604 WeakPolarHBondContact CA-O 3.18Å
575	Q	92.4	Very high	81.8	Confident	35 Å²	35	54 Å²	54	16%	0.164	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	132.6	177.6	-173.8	169.6	-4.9	0	0	110.3	V563 N566 Y604 W606	V563-Q575 HydrophobicContact CG2-CG 4.17Å; N566-Q575 PolarHBondContact ND2-OE1 3.1Å; Q575-Y604 PolarHBondContact N-O 3.37Å; Q575-Y604 PolarHBondContact O-N 3.38Å; Q575-W606 HydrophobicContact CB-CH2 3.84Å; Q575-W606 HydrophobicContact CB-CZ3 3.71Å
576	I	90.3	Very high	79.7	Confident	90 Å²	90	49.7 Å²	49.7	46%	0.462	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.3	176.7	-57.6	173.2	0	0	0	108.5	N601 V602	I576-N601 HydrophobicContact CG2-CB 3.97Å; I576-V602 WeakPolarHBondContact CA-O 3.34Å
577	I	88.6	Confident	77.6	Confident	7 Å²	7	48.9 Å²	48.9	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.3	171.3	61.8	173.5	0	0	0	109.8	I557 V563 V579 V602 Y604	I557-I577 HydrophobicContact CG2-CD1 3.78Å; V563-I577 HydrophobicContact CG2-CG2 3.64Å; I577-V579 HydrophobicContact CD1-CG2 4.03Å; I577-V579 HydrophobicContact CG1-CG2 3.92Å; I577-V602 HydrophobicContact CG1-CB 4.22Å; I577-V602 PolarHBondContact N-O 3.21Å; I577-V602 PolarHBondContact O-N 2.95Å; I577-Y604 HydrophobicContact CD1-CD2 4.41Å; I577-Y604 HydrophobicContact CD1-CE2 3.55Å; I577-Y604 HydrophobicContact CG1-CD2 4.28Å; I577-Y604 HydrophobicContact CG1-CE2 3.72Å
578	T	85.3	Confident	75.4	Confident	76 Å²	76	49.3 Å²	49.3	47%	0.466	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.1	172.2	-53	0	0	0	0	109	A599 N601	T578-A599 HydrophobicContact CG2-CB 3.83Å; T578-N601 PolarHBondContact OG1-OD1 3.13Å
579	V	76.8	Confident	73.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.6	-174.1	-165.6	0	0	0	0	110.4	I557 I577 L585 A599 Y600 V602	I557-V579 HydrophobicContact CG2-CB 4.34Å; I557-V579 HydrophobicContact CG2-CG1 3.71Å; I557-V579 HydrophobicContact CG2-CG2 3.59Å; I577-V579 HydrophobicContact CD1-CG2 4.03Å; I577-V579 HydrophobicContact CG1-CG2 3.92Å; V579-L585 HydrophobicContact CB-CD1 3.71Å; V579-L585 HydrophobicContact CB-CD2 4.33Å; V579-L585 HydrophobicContact CB-CG 4.35Å; V579-L585 HydrophobicContact CG1-CD1 3.23Å; V579-L585 HydrophobicContact CG1-CD2 3.86Å; V579-L585 HydrophobicContact CG1-CG 3.58Å; V579-L585 HydrophobicContact CG2-CD2 4.4Å; V579-A599 CarbonylContact O-C 3.59Å; V579-A599 VanDerWaalsContact O-CA 3.24Å; V579-A599 WeakPolarHBondContact O-CA 3.37Å; V579-A599 WeakPolarHBondContact O-CB 3.35Å; V579-Y600 PolarHBondContact N-O 3.06Å; V579-Y600 PolarHBondContact O-N 2.83Å; V579-V602 HydrophobicContact CG2-CB 4.33Å; V579-V602 HydrophobicContact CG2-CG2 3.78Å
580	P	74	Confident	71.4	Confident	61 Å²	61	46.2 Å²	46.2	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	144.8	174.8	-8.8	12.9	0	0	0	112.2	N582 S583	P580-N582 PolarHBondContact O-N 3.44Å; P580-S583 WeakPolarHBondContact CB-OG 3.22Å; P580-S583 WeakPolarHBondContact CD-OG 3.36Å; P580-S583 WeakPolarHBondContact CG-OG 3.46Å; P580-S583 WeakPolarHBondContact O-CB 3.5Å; P580-S583 PolarHBondContact O-N 3.04Å; P580-S583 PolarHBondContact O-OG 3.3Å
581	V	64.3	Low	69.4	Low	28 Å²	28	44.2 Å²	44.2	17%	0.17	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.9	177.3	177.2	0	0	0	0	113.3	S583 K597 E598 Y600	V581-S583 VanDerWaalsContact C-N 3.26Å; V581-S583 PolarHBondContact O-N 3.25Å; V581-K597 WeakPolarHBondContact CG2-O 3.31Å; V581-E598 WeakPolarHBondContact CG2-O 3.5Å; V581-E598 PolarHBondContact N-O 2.91Å; V581-Y600 HydrophobicContact CG2-CD2 3.62Å; V581-Y600 HydrophobicContact CG2-CE2 3.33Å
582	N	56.3	Low	67.5	Low	148 Å²	148	41.7 Å²	41.7	79%	0.791	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.4	175.8	-70.2	-13.2	0	0	0	113.6	P580	P580-N582 PolarHBondContact O-N 3.44Å
583	S	55.6	Low	65.5	Low	23 Å²	23	44 Å²	44	16%	0.161	24%	0.24	C	C	.	.	S	Bend	trans	-73	155	176.2	-42.5	0	0	0	0	110.5	P580 V581 L585	P580-S583 WeakPolarHBondContact CB-OG 3.22Å; P580-S583 WeakPolarHBondContact CD-OG 3.36Å; P580-S583 WeakPolarHBondContact CG-OG 3.46Å; P580-S583 WeakPolarHBondContact O-CB 3.5Å; P580-S583 PolarHBondContact O-N 3.04Å; P580-S583 PolarHBondContact O-OG 3.3Å; V581-S583 VanDerWaalsContact C-N 3.26Å; V581-S583 PolarHBondContact O-N 3.25Å; S583-L585 PolarHBondContact O-N 3.21Å
584	S	51.9	Low	63.4	Low	34 Å²	34	46.7 Å²	46.7	24%	0.238	25%	0.246	C	C	.	.			trans	-60.4	36.6	173.2	47.1	0	0	0	0	114.5	N556 S586 P1008	N556-S584 PolarHBondContact O-OG 3.25Å; S584-S586 PolarHBondContact O-N 2.65Å; S584-P1008 WeakPolarHBondContact O-CB 3.08Å
585	L	53.6	Low	61.3	Low	20 Å²	20	51.4 Å²	51.4	11%	0.105	27%	0.273	C	S	.	.			trans	-62.7	91.6	172.8	-77.8	157.3	0	0	0	108.6	I557 V579 S583 W587 I589 V602	I557-L585 HydrophobicContact CD1-CD2 3.53Å; I557-L585 HydrophobicContact CG1-CD2 3.81Å; I557-L585 HydrophobicContact CG2-CD2 4.32Å; V579-L585 HydrophobicContact CB-CD1 3.71Å; V579-L585 HydrophobicContact CB-CD2 4.33Å; V579-L585 HydrophobicContact CB-CG 4.35Å; V579-L585 HydrophobicContact CG1-CD1 3.23Å; V579-L585 HydrophobicContact CG1-CD2 3.86Å; V579-L585 HydrophobicContact CG1-CG 3.58Å; V579-L585 HydrophobicContact CG2-CD2 4.4Å; S583-L585 PolarHBondContact O-N 3.21Å; L585-W587 PolarHBondContact O-N 2.89Å; L585-I589 HydrophobicContact CB-CB 4.06Å; L585-I589 HydrophobicContact CB-CD1 3.93Å; L585-I589 HydrophobicContact CB-CG1 4.06Å; L585-I589 HydrophobicContact CD1-CD1 3.54Å; L585-I589 HydrophobicContact CD1-CG1 4.48Å; L585-I589 HydrophobicContact CD1-CG2 4.48Å; L585-I589 HydrophobicContact CD2-CD1 3.49Å; L585-I589 VanDerWaalsContact CD2-CD1 3.49Å; L585-I589 HydrophobicContact CD2-CG1 4.28Å; L585-I589 HydrophobicContact CG-CD1 3.8Å; L585-I589 HydrophobicContact CG-CG1 4.48Å; L585-V602 HydrophobicContact CD2-CG2 4.46Å
586	S	47.6	Very low	59.4	Low	7 Å²	7	53.6 Å²	53.6	5%	0.049	31%	0.305	C	S	.	.			trans	-2.7	107	148.7	-174.7	0	0	0	0	110.7	S584 H588 I589	S584-S586 PolarHBondContact O-N 2.65Å; S586-H588 PolarHBondContact O-N 2.95Å; S586-I589 PolarHBondContact O-N 3.04Å
587	W	49.6	Very low	58	Low	28 Å²	28	53.4 Å²	53.4	11%	0.106	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	7.9	-31.1	164.9	60.5	-91.5	0	0	0	121.7	P534 S535 L585 E1011 V1012	P534-W587 HydrophobicContact CB-CH2 3.83Å; P534-W587 HydrophobicContact CB-CZ2 3.59Å; S535-W587 PolarHBondContact OG-NE1 3.04Å; L585-W587 PolarHBondContact O-N 2.89Å; W587-E1011 HydrophobicContact CB-CG 3.69Å; W587-E1011 HydrophobicContact CG-CG 4.39Å; W587-V1012 HydrophobicContact CH2-CG2 3.66Å; W587-V1012 HydrophobicContact CZ2-CG2 3.58Å; W587-V1012 HydrophobicContact CZ3-CG2 4.33Å
588	H	50.2	Low	56.9	Low	12 Å²	12	61.3 Å²	61.3	6%	0.056	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.8	172.2	-61.8	83.8	0	0	0	113.7	Y520 S586 N590 K591 I621	Y520-H588 AromaticContact CD1-CD2 3.76Å; Y520-H588 AromaticContact CD1-NE2 3.86Å; Y520-H588 AromaticContact CG-NE2 3.84Å; S586-H588 PolarHBondContact O-N 2.95Å; H588-N590 VanDerWaalsContact C-N 3.34Å; H588-N590 PolarHBondContact O-N 2.85Å; H588-K591 VanDerWaalsContact O-CB 3.31Å; H588-K591 WeakPolarHBondContact O-CB 3.47Å; H588-K591 PolarHBondContact O-N 3.02Å; H588-I621 HydrophobicContact CB-CD1 4.34Å
589	I	49.3	Very low	56.4	Low	10 Å²	10	59.7 Å²	59.7	5%	0.051	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-75.6	-22	-176.9	-62.2	-155	0	0	0	112.9	L585 S586 K591 L592 R593 Y600 V602 I621	L585-I589 HydrophobicContact CB-CB 4.06Å; L585-I589 HydrophobicContact CB-CD1 3.93Å; L585-I589 HydrophobicContact CB-CG1 4.06Å; L585-I589 HydrophobicContact CD1-CD1 3.54Å; L585-I589 HydrophobicContact CD1-CG1 4.48Å; L585-I589 HydrophobicContact CD1-CG2 4.48Å; L585-I589 HydrophobicContact CD2-CD1 3.49Å; L585-I589 VanDerWaalsContact CD2-CD1 3.49Å; L585-I589 HydrophobicContact CD2-CG1 4.28Å; L585-I589 HydrophobicContact CG-CD1 3.8Å; L585-I589 HydrophobicContact CG-CG1 4.48Å; S586-I589 PolarHBondContact O-N 3.04Å; I589-K591 PolarHBondContact O-N 3.1Å; I589-K591 VanDerWaalsContact O-N 3.11Å; I589-L592 PolarHBondContact O-N 3.03Å; I589-R593 PolarHBondContact O-N 3.27Å; I589-Y600 HydrophobicContact CG2-CD2 4.02Å; I589-Y600 HydrophobicContact CG2-CE2 4.2Å; I589-V602 HydrophobicContact CD1-CG2 4.23Å; I589-I621 HydrophobicContact CD1-CD1 4.06Å; I589-I621 HydrophobicContact CD1-CG1 3.93Å; I589-I621 HydrophobicContact CD1-CG2 4.09Å; I589-I621 HydrophobicContact CG1-CD1 3.57Å; I589-I621 HydrophobicContact CG1-CG1 4.03Å
590	N	48.9	Very low	56.3	Low	55 Å²	55	60.1 Å²	60.1	29%	0.294	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.3	171	-79.5	-29.4	0	0	0	112	H588 L592	H588-N590 VanDerWaalsContact C-N 3.34Å; H588-N590 PolarHBondContact O-N 2.85Å; N590-L592 VanDerWaalsContact C-N 3.26Å; N590-L592 PolarHBondContact O-N 3.4Å
591	K	50.3	Low	56.8	Low	43 Å²	43	60.2 Å²	60.2	19%	0.187	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-71.9	-15.4	178.1	-55.9	-178	173.7	177.5	0	113.9	H588 I589 V778	H588-K591 VanDerWaalsContact O-CB 3.31Å; H588-K591 WeakPolarHBondContact O-CB 3.47Å; H588-K591 PolarHBondContact O-N 3.02Å; I589-K591 PolarHBondContact O-N 3.1Å; I589-K591 VanDerWaalsContact O-N 3.11Å; K591-V778 HydrophobicContact CB-CG1 4.19Å; K591-V778 HydrophobicContact CD-CG1 3.74Å; K591-V778 HydrophobicContact CG-CG1 3.88Å
592	L	50.1	Low	57.8	Low	35 Å²	35	59 Å²	59	18%	0.183	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-124.6	13.4	-173.6	-60.2	171.9	0	0	0	113.1	A518 I589 N590 E594 I621 I625	A518-L592 HydrophobicContact CB-CD1 3.34Å; A518-L592 HydrophobicContact CB-CD2 4.12Å; A518-L592 HydrophobicContact CB-CG 4.27Å; I589-L592 PolarHBondContact O-N 3.03Å; N590-L592 VanDerWaalsContact C-N 3.26Å; N590-L592 PolarHBondContact O-N 3.4Å; L592-E594 PolarHBondContact O-N 3.47Å; L592-I621 HydrophobicContact CD1-CB 3.83Å; L592-I621 HydrophobicContact CD1-CD1 3.89Å; L592-I621 HydrophobicContact CD1-CG1 4.49Å; L592-I621 HydrophobicContact CD1-CG2 3.76Å; L592-I625 HydrophobicContact CD2-CD1 3.86Å
593	R	52.1	Low	59.4	Low	136 Å²	136	52.8 Å²	52.8	51%	0.513	29%	0.291	S	S	.	.			trans	-64.8	98.9	179.2	-75.2	-177.9	89.1	-167	7.2	109.8	I589	I589-R593 PolarHBondContact O-N 3.27Å
594	E	51.3	Low	61.1	Low	79 Å²	79	51.7 Å²	51.7	37%	0.369	28%	0.283	S	S	.	.			trans	-75.4	129	160.3	-73.8	179.7	171.2	0	0	108.5	L592 G596 K597 Y600	L592-E594 PolarHBondContact O-N 3.47Å; E594-G596 PolarHBondContact O-N 2.99Å; E594-K597 WeakPolarHBondContact OE2-CE 3.37Å; E594-K597 IonicContact OE2-NZ 2.67Å; E594-K597 PolarHBondContact OE2-NZ 2.56Å; E594-Y600 PolarHBondContact N-OH 2.87Å; E594-Y600 PolarHBondContact O-OH 3.32Å
595	T	48.8	Very low	63.1	Low	152 Å²	152	50.1 Å²	50.1	93%	0.933	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	115.7	173.5	39.9	0	0	0	0	110
596	G	52.4	Low	65.2	Low	80 Å²	80	49.3 Å²	49.3	83%	0.825	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.7	-6.5	172	0	0	0	0	0	116.9	E594	E594-G596 PolarHBondContact O-N 2.99Å
597	K	61.7	Low	67.5	Low	86 Å²	86	51 Å²	51	37%	0.374	28%	0.275	S	S	.	.			trans	-93.8	134.1	174.3	-77	177	176.9	160.4	0	111.8	V581 E594 Y600	V581-K597 WeakPolarHBondContact CG2-O 3.31Å; E594-K597 WeakPolarHBondContact OE2-CE 3.37Å; E594-K597 IonicContact OE2-NZ 2.67Å; E594-K597 PolarHBondContact OE2-NZ 2.56Å; K597-Y600 HydrophobicContact CB-CE1 4.45Å; K597-Y600 HydrophobicContact CD-CE1 4.07Å
598	E	65.8	Low	69.6	Low	174 Å²	174	53.3 Å²	53.3	81%	0.813	29%	0.287	S	S	*	.	S	Bend	trans	-92.2	-16.5	-180	-64	-172.1	160.6	0	0	114	V581	V581-E598 WeakPolarHBondContact CG2-O 3.5Å; V581-E598 PolarHBondContact N-O 2.91Å
599	A	72.9	Confident	71.7	Confident	42 Å²	42	52.8 Å²	52.8	35%	0.347	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.3	175	0	0	0	0	0	112.6	T578 V579	T578-A599 HydrophobicContact CG2-CB 3.83Å; V579-A599 CarbonylContact O-C 3.59Å; V579-A599 VanDerWaalsContact O-CA 3.24Å; V579-A599 WeakPolarHBondContact O-CA 3.37Å; V579-A599 WeakPolarHBondContact O-CB 3.35Å
600	Y	75.6	Confident	73.6	Confident	9 Å²	9	57.1 Å²	57.1	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.4	172.1	-65.4	-80.7	0	0	0	110.5	V579 V581 I589 E594 K597	V579-Y600 PolarHBondContact N-O 3.06Å; V579-Y600 PolarHBondContact O-N 2.83Å; V581-Y600 HydrophobicContact CG2-CD2 3.62Å; V581-Y600 HydrophobicContact CG2-CE2 3.33Å; I589-Y600 HydrophobicContact CG2-CD2 4.02Å; I589-Y600 HydrophobicContact CG2-CE2 4.2Å; E594-Y600 PolarHBondContact N-OH 2.87Å; E594-Y600 PolarHBondContact O-OH 3.32Å; K597-Y600 HydrophobicContact CB-CE1 4.45Å; K597-Y600 HydrophobicContact CD-CE1 4.07Å
601	N	84.4	Confident	75.5	Confident	63 Å²	63	59.6 Å²	59.6	34%	0.337	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131	170.9	-71.7	-18.8	0	0	0	109	I576 T578 Q622	I576-N601 HydrophobicContact CG2-CB 3.97Å; T578-N601 PolarHBondContact OG1-OD1 3.13Å; N601-Q622 HydrophobicContact CB-CB 4.07Å; N601-Q622 WeakPolarHBondContact O-CB 3.4Å; N601-Q622 PolarHBondContact O-N 3.5Å
602	V	85.8	Confident	77.3	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.2	176.3	-175.7	0	0	0	0	107.6	I576 I577 V579 L585 I589 Y604 V619	I576-V602 WeakPolarHBondContact CA-O 3.34Å; I577-V602 HydrophobicContact CG1-CB 4.22Å; I577-V602 PolarHBondContact N-O 3.21Å; I577-V602 PolarHBondContact O-N 2.95Å; V579-V602 HydrophobicContact CG2-CB 4.33Å; V579-V602 HydrophobicContact CG2-CG2 3.78Å; L585-V602 HydrophobicContact CD2-CG2 4.46Å; I589-V602 HydrophobicContact CD1-CG2 4.23Å; V602-Y604 HydrophobicContact CB-CE2 4.06Å; V602-Y604 HydrophobicContact CG1-CD2 4.17Å; V602-Y604 HydrophobicContact CG1-CE2 3.48Å; V602-Y604 VanDerWaalsContact CG1-CE2 3.48Å; V602-V619 HydrophobicContact CG1-CG1 3.36Å
603	S	88.8	Confident	79.1	Confident	17 Å²	17	57.9 Å²	57.9	12%	0.119	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.3	176.9	-172.3	0	0	0	0	109.7	V619 V620	S603-V619 WeakPolarHBondContact O-CA 3.21Å; S603-V620 PolarHBondContact N-O 2.88Å; S603-V620 PolarHBondContact O-N 3.06Å
604	Y	92.3	Very high	81.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.6	170.8	-66.8	-99.4	0	0	0	107.7	F522 E555 I557 F560 V563 S574 Q575 I577 V602 V619	F522-Y604 HydrophobicContact CE1-CE1 4.46Å; E555-Y604 PolarHBondContact OE2-OH 3.03Å; I557-Y604 WeakPolarHBondContact CD1-OH 3.44Å; F560-Y604 HydrophobicContact CD2-CD1 4.49Å; F560-Y604 AromaticContact CD2-CE1 3.83Å; F560-Y604 HydrophobicContact CD2-CE1 3.83Å; F560-Y604 AromaticContact CD2-CZ 3.87Å; F560-Y604 AromaticContact CE2-CD1 3.99Å; F560-Y604 HydrophobicContact CE2-CD1 3.99Å; F560-Y604 AromaticContact CE2-CE1 3.53Å; F560-Y604 HydrophobicContact CE2-CE1 3.53Å; V563-Y604 HydrophobicContact CG1-CD1 4.12Å; V563-Y604 HydrophobicContact CG1-CD2 4.15Å; V563-Y604 HydrophobicContact CG1-CG 3.76Å; V563-Y604 HydrophobicContact CG2-CD2 4.47Å; S574-Y604 CarbonylContact C-O 3.57Å; S574-Y604 WeakPolarHBondContact CA-O 3.18Å; Q575-Y604 PolarHBondContact N-O 3.37Å; Q575-Y604 PolarHBondContact O-N 3.38Å; I577-Y604 HydrophobicContact CD1-CD2 4.41Å; I577-Y604 HydrophobicContact CD1-CE2 3.55Å; I577-Y604 HydrophobicContact CG1-CD2 4.28Å; I577-Y604 HydrophobicContact CG1-CE2 3.72Å; V602-Y604 HydrophobicContact CB-CE2 4.06Å; V602-Y604 HydrophobicContact CG1-CD2 4.17Å; V602-Y604 HydrophobicContact CG1-CE2 3.48Å; V602-Y604 VanDerWaalsContact CG1-CE2 3.48Å; Y604-V619 HydrophobicContact CD1-CG1 4.36Å; Y604-V619 HydrophobicContact CD1-CG2 3.68Å; Y604-V619 HydrophobicContact CE1-CB 4.48Å; Y604-V619 HydrophobicContact CE1-CG1 4Å; Y604-V619 HydrophobicContact CE1-CG2 3.63Å
605	A	94.5	Very high	83.3	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.9	170	0	0	0	0	0	108.3	E96 V99 C617 I618	E96-A605 HydrophobicContact CG-CB 4.27Å; V99-A605 HydrophobicContact CG1-CB 4.03Å; A605-C617 CarbonylContact O-C 3.53Å; A605-C617 VanDerWaalsContact O-CA 3.3Å; A605-C617 WeakPolarHBondContact O-CA 3.47Å; A605-C617 PolarHBondContact O-SG 3.02Å; A605-C617 VanDerWaalsContact O-SG 3.32Å; A605-I618 PolarHBondContact N-O 3.04Å; A605-I618 PolarHBondContact O-N 2.52Å
606	W	96.2	Very high	85.6	Confident	4 Å²	4	41 Å²	41	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.2	-177.7	66	93	0	0	0	112.5	V563 N566 I567 L570 L572 G573 Q575 I615 L616 C617	V563-W606 HydrophobicContact CG1-CZ3 4.33Å; N566-W606 HydrophobicContact CB-CH2 3.87Å; N566-W606 HydrophobicContact CB-CZ2 3.71Å; I567-W606 HydrophobicContact CB-CD2 4.43Å; I567-W606 HydrophobicContact CB-CG 4.35Å; I567-W606 HydrophobicContact CG1-CB 4.14Å; I567-W606 HydrophobicContact CG1-CD2 3.59Å; I567-W606 HydrophobicContact CG1-CE3 3.74Å; I567-W606 HydrophobicContact CG1-CG 3.77Å; I567-W606 HydrophobicContact CG1-CZ3 4.35Å; I567-W606 HydrophobicContact CG2-CG 4.45Å; L570-W606 PolarHBondContact O-NE1 2.93Å; L570-W606 VanDerWaalsContact O-NE1 3.09Å; L572-W606 WeakPolarHBondContact CA-O 3.49Å; L572-W606 WeakPolarHBondContact CD1-O 3.49Å; G573-W606 PolarHBondContact N-O 3.47Å; G573-W606 VanDerWaalsContact N-O 3.12Å; G573-W606 PolarHBondContact O-N 3.26Å; Q575-W606 HydrophobicContact CB-CH2 3.84Å; Q575-W606 HydrophobicContact CB-CZ3 3.71Å; W606-I615 HydrophobicContact CB-CG2 4.25Å; W606-L616 CarbonylContact C-O 3.58Å; W606-L616 WeakPolarHBondContact CA-O 3.42Å; W606-C617 HydrophobicContact CB-CB 4.21Å
607	K	95.9	Very high	87.6	Confident	43 Å²	43	37.2 Å²	37.2	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	130	175	-177.2	170.4	178.9	177.1	0	110.6	V99 Q100 A103 P571 L572 V609 L616	V99-K607 HydrophobicContact CG1-CB 4.44Å; V99-K607 HydrophobicContact CG2-CB 4.11Å; Q100-K607 HydrophobicContact CB-CD 4.36Å; Q100-K607 HydrophobicContact CG-CD 3.94Å; A103-K607 HydrophobicContact CB-CB 4.29Å; A103-K607 HydrophobicContact CB-CD 3.86Å; A103-K607 HydrophobicContact CB-CG 4.14Å; P571-K607 CarbonylContact O-C 3.54Å; P571-K607 WeakPolarHBondContact O-CA 3.34Å; L572-K607 HydrophobicContact CD1-CB 3.86Å; L572-K607 HydrophobicContact CD1-CD 4.05Å; L572-K607 HydrophobicContact CD1-CG 3.98Å; K607-V609 PolarHBondContact O-N 3.05Å; K607-L616 PolarHBondContact N-O 2.91Å; K607-L616 PolarHBondContact O-N 3.45Å
608	M	95.1	Very high	89.1	Confident	75 Å²	75	33.1 Å²	33.1	37%	0.369	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127	167.5	-171.3	177.3	-173.8	0	0	109.2	P571 Q610 T612 I615	P571-M608 HydrophobicContact CB-CB 4.13Å; P571-M608 HydrophobicContact CB-SD 4.46Å; P571-M608 WeakPolarHBondContact O-CB 3.44Å; P571-M608 PolarHBondContact O-N 3.21Å; M608-Q610 PolarHBondContact O-N 3.13Å; M608-T612 WeakPolarHBondContact CE-O 3.41Å; M608-I615 HydrophobicContact CB-CG1 4.49Å; M608-I615 HydrophobicContact CG-CG1 4.46Å
609	V	93.9	Very high	90.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.135	C	C	.	.			trans	-73.9	113	175.2	179.8	0	0	0	0	107	A103 I106 R107 F110 K607 T612 F614 L616	A103-V609 HydrophobicContact CB-CG2 4.37Å; I106-V609 HydrophobicContact CG2-CG1 4.21Å; I106-V609 HydrophobicContact CG2-CG2 4.23Å; R107-V609 HydrophobicContact CB-CG1 3.87Å; F110-V609 HydrophobicContact CD2-CG1 4.4Å; K607-V609 PolarHBondContact O-N 3.05Å; V609-T612 WeakPolarHBondContact CB-OG1 3.29Å; V609-T612 HydrophobicContact CG1-CG2 4.14Å; V609-T612 PolarHBondContact O-N 2.65Å; V609-T612 PolarHBondContact O-OG1 2.92Å; V609-F614 PolarHBondContact N-O 3.09Å; V609-L616 HydrophobicContact CG2-CB 4.37Å
610	Q	89.4	Confident	90.7	Very high	102 Å²	102	23.1 Å²	23.1	48%	0.477	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	148.4	-177	-62.5	174.8	-30.8	0	0	111.2	M608 T612	M608-Q610 PolarHBondContact O-N 3.13Å; Q610-T612 PolarHBondContact O-N 2.91Å
611	D	87.4	Confident	90.9	Very high	106 Å²	106	22.9 Å²	22.9	57%	0.567	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	12.6	-179	-45.8	-48.5	0	0	0	114.7	L114	L114-D611 HydrophobicContact CD2-CB 4.46Å
612	T	89.8	Confident	90.3	Very high	12 Å²	12	22.2 Å²	22.2	7%	0.074	12%	0.115	C	C	.	.	S	Bend	trans	-138.1	170.7	177.4	76.1	0	0	0	0	111.4	F110 F467 M608 V609 Q610 F614	F110-T612 HydrophobicContact CB-CG2 3.85Å; F110-T612 HydrophobicContact CD1-CG2 4.49Å; F110-T612 HydrophobicContact CD2-CG2 4.09Å; F110-T612 HydrophobicContact CG-CG2 3.91Å; F467-T612 HydrophobicContact CE2-CG2 4.1Å; F467-T612 HydrophobicContact CZ-CG2 3.88Å; M608-T612 WeakPolarHBondContact CE-O 3.41Å; V609-T612 WeakPolarHBondContact CB-OG1 3.29Å; V609-T612 HydrophobicContact CG1-CG2 4.14Å; V609-T612 PolarHBondContact O-N 2.65Å; V609-T612 PolarHBondContact O-OG1 2.92Å; Q610-T612 PolarHBondContact O-N 2.91Å; T612-F614 PolarHBondContact OG1-N 2.78Å
613	S	88.1	Confident	89.2	Confident	31 Å²	31	25.6 Å²	25.6	22%	0.217	14%	0.137	C	C	.	.	S	Bend	trans	-91.6	10.2	171.7	54.5	0	0	0	0	113.7	D525 D526	D525-S613 CarbonylContact C-O 3.57Å; D526-S613 PolarHBondContact N-O 3.45Å
614	F	94.6	Very high	87.9	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144.9	-173.7	-59.1	-58.6	0	0	0	113.2	F110 F467 M481 L523 I524 D525 L531 V609 T612	F110-F614 HydrophobicContact CE1-CD2 4.04Å; F110-F614 AromaticContact CE1-CE2 3.64Å; F110-F614 HydrophobicContact CE1-CE2 3.64Å; F110-F614 AromaticContact CE2-CD2 3.81Å; F110-F614 HydrophobicContact CE2-CD2 3.81Å; F110-F614 HydrophobicContact CE2-CE2 4.25Å; F110-F614 AromaticContact CZ-CD2 3.49Å; F110-F614 HydrophobicContact CZ-CD2 3.49Å; F110-F614 VanDerWaalsContact CZ-CD2 3.49Å; F110-F614 AromaticContact CZ-CE2 3.47Å; F110-F614 HydrophobicContact CZ-CE2 3.47Å; F110-F614 VanDerWaalsContact CZ-CE2 3.47Å; F467-F614 HydrophobicContact CB-CE2 3.89Å; F467-F614 HydrophobicContact CB-CZ 3.75Å; F467-F614 AromaticContact CD1-CE2 3.96Å; F467-F614 HydrophobicContact CD1-CE2 3.96Å; F467-F614 AromaticContact CG-CE2 3.9Å; F467-F614 HydrophobicContact CG-CE2 3.9Å; F467-F614 HydrophobicContact CG-CZ 4.28Å; M481-F614 HydrophobicContact CE-CZ 4.29Å; M481-F614 HydrophobicContact SD-CE2 4.17Å; M481-F614 HydrophobicContact SD-CZ 3.9Å; L523-F614 HydrophobicContact CD1-CB 4.11Å; L523-F614 HydrophobicContact CG-CB 4.47Å; I524-F614 CarbonylContact O-C 3.52Å; I524-F614 WeakPolarHBondContact O-CA 3.47Å; D525-F614 HydrophobicContact CB-CD1 4.33Å; D525-F614 HydrophobicContact CB-CE1 4.38Å; L531-F614 HydrophobicContact CD1-CD1 4.04Å; L531-F614 HydrophobicContact CD1-CE1 3.84Å; L531-F614 HydrophobicContact CD2-CD1 3.77Å; L531-F614 HydrophobicContact CD2-CE1 3.34Å; L531-F614 HydrophobicContact CD2-CZ 3.83Å; L531-F614 HydrophobicContact CG-CE1 4.23Å; V609-F614 PolarHBondContact N-O 3.09Å; T612-F614 PolarHBondContact OG1-N 2.78Å
615	I	96.1	Very high	86.5	Confident	9 Å²	9	31.6 Å²	31.6	5%	0.046	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.6	178	-52.7	162.8	0	0	0	108.5	I524 I567 L568 W606 M608	I524-I615 HydrophobicContact CD1-CB 4.47Å; I524-I615 HydrophobicContact CG1-CB 3.97Å; I524-I615 PolarHBondContact N-O 3.26Å; I524-I615 PolarHBondContact O-N 2.72Å; I567-I615 HydrophobicContact CG2-CD1 4.34Å; I567-I615 HydrophobicContact CG2-CG2 3.78Å; L568-I615 HydrophobicContact CD2-CD1 4.08Å; W606-I615 HydrophobicContact CB-CG2 4.25Å; M608-I615 HydrophobicContact CB-CG1 4.49Å; M608-I615 HydrophobicContact CG-CG1 4.46Å
616	L	96.6	Very high	85	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.5	175.8	178.5	72.9	0	0	0	109.2	V99 L102 A103 I106 V510 T521 L523 W606 K607 V609	V99-L616 HydrophobicContact CG2-CB 4.38Å; V99-L616 HydrophobicContact CG2-CD2 3.84Å; V99-L616 HydrophobicContact CG2-CG 3.99Å; L102-L616 HydrophobicContact CB-CD2 3.74Å; L102-L616 HydrophobicContact CD2-CD1 4.19Å; L102-L616 HydrophobicContact CD2-CD2 3.86Å; L102-L616 HydrophobicContact CG-CD2 3.63Å; A103-L616 HydrophobicContact CB-CD2 3.98Å; I106-L616 HydrophobicContact CD1-CD1 3.89Å; I106-L616 HydrophobicContact CD1-CD2 4.14Å; V510-L616 HydrophobicContact CG2-CD1 4.11Å; T521-L616 WeakPolarHBondContact OG1-CD1 3.45Å; L523-L616 HydrophobicContact CD1-CB 4.13Å; L523-L616 HydrophobicContact CD1-CD1 4.23Å; W606-L616 CarbonylContact C-O 3.58Å; W606-L616 WeakPolarHBondContact CA-O 3.42Å; K607-L616 PolarHBondContact N-O 2.91Å; K607-L616 PolarHBondContact O-N 3.45Å; V609-L616 HydrophobicContact CG2-CB 4.37Å
617	C	95.3	Very high	83.7	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	171.3	-169	0	0	0	0	111.3	T521 F522 A605 W606	T521-C617 WeakPolarHBondContact CA-O 3.09Å; T521-C617 WeakPolarHBondContact CB-O 3.4Å; T521-C617 PolarHBondContact OG1-O 2.94Å; F522-C617 HydrophobicContact CD1-CB 4.26Å; F522-C617 HydrophobicContact CD2-CB 3.87Å; F522-C617 HydrophobicContact CE1-CB 3.79Å; F522-C617 HydrophobicContact CE2-CB 3.35Å; F522-C617 HydrophobicContact CG-CB 4.3Å; F522-C617 HydrophobicContact CZ-CB 3.31Å; F522-C617 VanDerWaalsContact CZ-SG 3.58Å; F522-C617 PolarHBondContact N-O 3.39Å; F522-C617 PolarHBondContact O-N 3.06Å; A605-C617 CarbonylContact O-C 3.53Å; A605-C617 VanDerWaalsContact O-CA 3.3Å; A605-C617 WeakPolarHBondContact O-CA 3.47Å; A605-C617 PolarHBondContact O-SG 3.02Å; A605-C617 VanDerWaalsContact O-SG 3.32Å; W606-C617 HydrophobicContact CB-CB 4.21Å
618	I	92.8	Very high	82.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130	167.9	-61	-176.1	0	0	0	107.6	E98 V99 L102 Y513 A605 V620	E98-I618 HydrophobicContact CB-CD1 3.78Å; V99-I618 HydrophobicContact CB-CB 4.46Å; V99-I618 HydrophobicContact CB-CD1 3.87Å; V99-I618 HydrophobicContact CB-CG1 3.99Å; V99-I618 HydrophobicContact CG2-CD1 4.45Å; V99-I618 HydrophobicContact CG2-CG1 4.15Å; L102-I618 HydrophobicContact CD2-CD1 4.38Å; Y513-I618 HydrophobicContact CE2-CD1 4.39Å; A605-I618 PolarHBondContact N-O 3.04Å; A605-I618 PolarHBondContact O-N 2.52Å; I618-V620 HydrophobicContact CG2-CG2 3.95Å
619	V	88.6	Confident	81.6	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.9	176.9	-170.7	0	0	0	0	108.3	S519 Y520 F522 V602 S603 Y604	S519-V619 WeakPolarHBondContact CA-O 3.44Å; S519-V619 WeakPolarHBondContact CB-O 3.01Å; Y520-V619 HydrophobicContact CD1-CB 4.1Å; Y520-V619 HydrophobicContact CD2-CB 4.26Å; Y520-V619 HydrophobicContact CD2-CG2 4.26Å; Y520-V619 HydrophobicContact CE1-CB 3.68Å; Y520-V619 HydrophobicContact CE1-CG1 3.72Å; Y520-V619 HydrophobicContact CE1-CG2 4.34Å; Y520-V619 HydrophobicContact CE2-CB 3.87Å; Y520-V619 HydrophobicContact CE2-CG1 4.48Å; Y520-V619 HydrophobicContact CE2-CG2 3.66Å; Y520-V619 HydrophobicContact CG-CB 4.38Å; Y520-V619 PolarHBondContact N-O 2.7Å; Y520-V619 PolarHBondContact O-N 3.05Å; F522-V619 HydrophobicContact CD1-CG2 4.03Å; F522-V619 HydrophobicContact CE1-CG2 3.59Å; V602-V619 HydrophobicContact CG1-CG1 3.36Å; S603-V619 WeakPolarHBondContact O-CA 3.21Å; Y604-V619 HydrophobicContact CD1-CG1 4.36Å; Y604-V619 HydrophobicContact CD1-CG2 3.68Å; Y604-V619 HydrophobicContact CE1-CB 4.48Å; Y604-V619 HydrophobicContact CE1-CG1 4Å; Y604-V619 HydrophobicContact CE1-CG2 3.63Å
620	V	84.3	Confident	80.9	Confident	6 Å²	6	34 Å²	34	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.3	179.2	-174.5	0	0	0	0	109.5	S603 I618 E624	S603-V620 PolarHBondContact N-O 2.88Å; S603-V620 PolarHBondContact O-N 3.06Å; I618-V620 HydrophobicContact CG2-CG2 3.95Å; V620-E624 HydrophobicContact CG1-CG 4.2Å
621	I	78.4	Confident	80.4	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.2	176.3	-58.3	148.8	0	0	0	108.6	A518 H588 I589 L592	A518-I621 PolarHBondContact O-N 3.33Å; H588-I621 HydrophobicContact CB-CD1 4.34Å; I589-I621 HydrophobicContact CD1-CD1 4.06Å; I589-I621 HydrophobicContact CD1-CG1 3.93Å; I589-I621 HydrophobicContact CD1-CG2 4.09Å; I589-I621 HydrophobicContact CG1-CD1 3.57Å; I589-I621 HydrophobicContact CG1-CG1 4.03Å; L592-I621 HydrophobicContact CD1-CB 3.83Å; L592-I621 HydrophobicContact CD1-CD1 3.89Å; L592-I621 HydrophobicContact CD1-CG1 4.49Å; L592-I621 HydrophobicContact CD1-CG2 3.76Å
622	Q	72.4	Confident	79.4	Confident	48 Å²	48	33.4 Å²	33.4	22%	0.224	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148.5	-178.6	-70.1	-177.2	-16	0	0	112.3	N601	N601-Q622 HydrophobicContact CB-CB 4.07Å; N601-Q622 WeakPolarHBondContact O-CB 3.4Å; N601-Q622 PolarHBondContact O-N 3.5Å
623	P	63	Low	78.4	Confident	75 Å²	75	33.3 Å²	33.3	49%	0.487	17%	0.173	S	C	.	.	S	Bend	cis	-71.3	146.5	7.6	29.6	-35.4	0	0	0	113.4	I625	P623-I625 PolarHBondContact O-N 3.3Å
624	E	61.7	Low	77.2	Confident	76 Å²	76	37.6 Å²	37.6	36%	0.355	19%	0.194	S	C	.	.			trans	-62.2	105.5	172.3	-75.6	173.1	-167	0	0	108.8	S93 V620 P626	S93-E624 VanDerWaalsContact O-CD 3.24Å; V620-E624 HydrophobicContact CG1-CG 4.2Å; E624-P626 WeakPolarHBondContact O-CD 3.18Å
625	I	62	Low	75.6	Confident	67 Å²	67	40.4 Å²	40.4	34%	0.344	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-78.5	119.6	174.6	-57.5	172.5	0	0	0	106.6	L592 P623 V627	L592-I625 HydrophobicContact CD2-CD1 3.86Å; P623-I625 PolarHBondContact O-N 3.3Å; I625-V627 PolarHBondContact O-N 3.05Å
626	P	63.9	Low	73.8	Confident	44 Å²	44	45.1 Å²	45.1	29%	0.286	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-59.5	124.7	178.1	22.2	-30.9	0	0	0	109.6	E90 I92 E624 K628	E90-P626 HydrophobicContact CB-CB 4.15Å; E90-P626 HydrophobicContact CG-CB 4.32Å; I92-P626 HydrophobicContact CG1-CB 4.48Å; E624-P626 WeakPolarHBondContact O-CD 3.18Å; P626-K628 PolarHBondContact O-N 2.86Å
627	V	69	Low	72.1	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.1	-179.9	-179.3	0	0	0	0	107.6	K91 D515 I625 Q629	K91-V627 PolarHBondContact N-O 3.03Å; K91-V627 PolarHBondContact O-N 2.88Å; D515-V627 WeakPolarHBondContact O-CG2 3.34Å; I625-V627 PolarHBondContact O-N 3.05Å; V627-Q629 HydrophobicContact CG1-CG 4.16Å; V627-Q629 PolarHBondContact O-N 2.85Å
628	K	71.1	Confident	70.3	Confident	50 Å²	50	49.1 Å²	49.1	22%	0.217	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.5	177.7	-76.9	-180	179	-178.3	0	109.5	Y88 E90 P626 S808	Y88-K628 HydrophobicContact CD1-CB 3.78Å; Y88-K628 HydrophobicContact CG-CB 4.05Å; E90-K628 HydrophobicContact CG-CG 4.03Å; E90-K628 VanDerWaalsContact OE1-CE 3.31Å; E90-K628 WeakPolarHBondContact OE1-CE 3.5Å; P626-K628 PolarHBondContact O-N 2.86Å; K628-S808 WeakPolarHBondContact CD-OG 3.19Å
629	Q	76.1	Confident	68.9	Low	49 Å²	49	50.5 Å²	50.5	23%	0.229	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.8	176.9	-65.4	-177.1	-13.8	0	0	110.6	Y88 T89 V627 K631	Y88-Q629 CarbonylContact C-O 3.59Å; Y88-Q629 VanDerWaalsContact CA-O 3.28Å; Y88-Q629 WeakPolarHBondContact CA-O 3.47Å; T89-Q629 PolarHBondContact N-O 3.07Å; T89-Q629 PolarHBondContact O-N 2.91Å; T89-Q629 PolarHBondContact OG1-O 3.16Å; V627-Q629 HydrophobicContact CG1-CG 4.16Å; V627-Q629 PolarHBondContact O-N 2.85Å; Q629-K631 PolarHBondContact O-N 3.26Å
630	L	79.5	Confident	68.3	Low	21 Å²	21	58.8 Å²	58.8	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.4	178.2	-74	170.1	0	0	0	111	F83 L86 Y88 N717 E718 A721	F83-L630 HydrophobicContact CE1-CD1 4.27Å; L86-L630 HydrophobicContact CB-CD2 3.66Å; L86-L630 HydrophobicContact CD1-CD1 4.44Å; L86-L630 HydrophobicContact CD1-CD2 3.65Å; L86-L630 HydrophobicContact CG-CD2 4.29Å; Y88-L630 HydrophobicContact CD1-CD2 3.88Å; Y88-L630 HydrophobicContact CD1-CG 4.3Å; Y88-L630 HydrophobicContact CE1-CD2 3.39Å; Y88-L630 HydrophobicContact CE1-CG 3.93Å; L630-N717 HydrophobicContact CB-CB 3.99Å; L630-N717 PolarHBondContact O-ND2 3.17Å; L630-E718 HydrophobicContact CD1-CG 4.27Å; L630-A721 HydrophobicContact CD1-CB 3.77Å
631	K	78	Confident	68.4	Low	112 Å²	112	59.3 Å²	59.3	49%	0.487	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-102.3	116.5	-178.8	-164	-168	-168.9	169.5	0	111.4	V87 T89 Q629 L633	V87-K631 HydrophobicContact CG1-CB 4.43Å; V87-K631 PolarHBondContact O-N 2.94Å; T89-K631 HydrophobicContact CG2-CB 3.95Å; T89-K631 HydrophobicContact CG2-CD 3.62Å; T89-K631 HydrophobicContact CG2-CG 3.89Å; Q629-K631 PolarHBondContact O-N 3.26Å; K631-L633 PolarHBondContact O-N 3.39Å
632	N	66.8	Low	69	Low	84 Å²	84	59.9 Å²	59.9	45%	0.449	32%	0.318	S	S	.	.			trans	40.8	67	159.3	-72	-20.5	0	0	0	114.8	N634 R704 N717	N632-N634 PolarHBondContact O-N 3.18Å; N632-R704 VanDerWaalsContact CA-NH2 3.31Å; N632-R704 PolarHBondContact OD1-NH1 3.42Å; N632-R704 PolarHBondContact OD1-NH2 2.61Å; N632-N717 PolarHBondContact N-ND2 3.37Å
633	L	68.4	Low	70	Confident	11 Å²	11	57.6 Å²	57.6	6%	0.058	31%	0.308	C	S	.	.			trans	-68.5	126.4	171.6	-58.3	-180	0	0	0	108.8	L86 K631 N717 M720 A721	L86-L633 HydrophobicContact CD1-CD1 4.34Å; L86-L633 HydrophobicContact CD2-CD1 4.35Å; L86-L633 HydrophobicContact CD2-CD2 3.82Å; K631-L633 PolarHBondContact O-N 3.39Å; L633-N717 WeakPolarHBondContact CD1-O 3.43Å; L633-N717 PolarHBondContact N-OD1 3.25Å; L633-M720 HydrophobicContact CB-CE 4.23Å; L633-M720 HydrophobicContact CB-SD 4.43Å; L633-M720 HydrophobicContact CD1-CB 4.36Å; L633-M720 WeakPolarHBondContact O-CE 3.33Å; L633-A721 HydrophobicContact CD1-CB 3.97Å
634	N	63.3	Low	71.4	Confident	120 Å²	120	54 Å²	54	64%	0.642	29%	0.285	S	S	*	.			trans	-110.7	18.4	174.6	-67.7	-17.8	0	0	0	110.9	N632 R704	N632-N634 PolarHBondContact O-N 3.18Å; N634-R704 PolarHBondContact OD1-NH2 3.29Å
635	T	61.1	Low	72.8	Confident	61 Å²	61	52.2 Å²	52.2	37%	0.374	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-77.2	133	-179.9	42	0	0	0	0	110.1	M720	T635-M720 WeakPolarHBondContact O-CE 3.33Å
636	V	58.1	Low	74.2	Confident	109 Å²	109	49.3 Å²	49.3	66%	0.661	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-65.6	129.3	174.3	-176.4	0	0	0	0	107.9	S638	V636-S638 PolarHBondContact O-N 2.91Å
637	P	60.8	Low	75.3	Confident	29 Å²	29	50.3 Å²	50.3	19%	0.188	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.8	135.4	173.7	-21.2	30.9	0	0	0	110	S639	P637-S639 PolarHBondContact O-N 2.86Å
638	S	57.1	Low	76.3	Confident	56 Å²	56	52 Å²	52	39%	0.392	27%	0.271	S	S	.	.	S	Bend	trans	-69.2	-21.6	-178.5	64.9	0	0	0	0	113	V636 D727	V636-S638 PolarHBondContact O-N 2.91Å; S638-D727 WeakPolarHBondContact CB-OD2 3.27Å; S638-D727 PolarHBondContact OG-OD2 2.89Å
639	S	64	Low	76.8	Confident	28 Å²	28	51.4 Å²	51.4	20%	0.196	27%	0.27	C	S	.	.	S	Bend	trans	-138.7	162.9	-179	62.9	0	0	0	0	112.7	P637 L641 T726	P637-S639 PolarHBondContact O-N 2.86Å; S639-L641 PolarHBondContact O-N 2.83Å; S639-T726 WeakPolarHBondContact OG-CG2 3.48Å
640	K	75.4	Confident	76.6	Confident	174 Å²	174	51.6 Å²	51.6	76%	0.757	29%	0.286	S	S	*	.			trans	-62.8	118.9	175.9	-176.6	-177.5	177.4	-172.3	0	109.4	L642	K640-L642 PolarHBondContact O-N 2.78Å
641	L	86.5	Confident	76.4	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.094	29%	0.289	C	S	.	.			trans	-63.9	126.4	176.3	-176.1	150.7	0	0	0	110.4	S639 T696 L699 V719	S639-L641 PolarHBondContact O-N 2.83Å; L641-T696 HydrophobicContact CD2-CG2 3.88Å; L641-L699 HydrophobicContact CD1-CB 3.64Å; L641-L699 HydrophobicContact CD1-CD1 4.44Å; L641-L699 HydrophobicContact CD2-CB 4.5Å; L641-V719 HydrophobicContact CD1-CG1 3.53Å
642	L	90.3	Very high	75.8	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.084	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.7	175.6	-172	65	0	0	0	110.3	K640 L646 Q651 T663 T668 V669	K640-L642 PolarHBondContact O-N 2.78Å; L642-L646 HydrophobicContact CD1-CD2 4.26Å; L642-L646 HydrophobicContact CD2-CD2 3.7Å; L642-L646 HydrophobicContact CG-CD2 4Å; L642-Q651 HydrophobicContact CD1-CG 4.49Å; L642-T663 HydrophobicContact CD2-CG2 3.6Å; L642-T668 HydrophobicContact CD2-CG2 3.84Å; L642-T668 HydrophobicContact CG-CG2 4.01Å; L642-T668 CarbonylContact O-C 3.59Å; L642-T668 WeakPolarHBondContact O-CA 3.04Å; L642-V669 PolarHBondContact O-N 2.68Å
643	Y	93.1	Very high	76.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	148.9	176	-164	-102.4	0	0	0	110.9	R645 V669 L671 E687 V692 Y695	Y643-R645 HydrophobicContact CD1-CB 4.08Å; Y643-R645 HydrophobicContact CD1-CG 4.04Å; Y643-R645 HydrophobicContact CE1-CB 4.43Å; Y643-R645 HydrophobicContact CE1-CG 3.89Å; Y643-R645 PolarHBondContact O-N 2.94Å; Y643-R645 VanDerWaalsContact O-N 3.13Å; Y643-V669 WeakPolarHBondContact CD2-O 3.28Å; Y643-L671 HydrophobicContact CE2-CD1 4.15Å; Y643-L671 HydrophobicContact CE2-CG 4.09Å; Y643-E687 PolarHBondContact OH-OE1 3.23Å; Y643-V692 HydrophobicContact CD1-CB 4.36Å; Y643-V692 HydrophobicContact CD1-CG1 3.47Å; Y643-V692 VanDerWaalsContact CD1-CG1 3.47Å; Y643-V692 HydrophobicContact CD1-CG2 4.14Å; Y643-V692 HydrophobicContact CE1-CG1 4.22Å; Y643-V692 HydrophobicContact CE1-CG2 4.09Å; Y643-V692 HydrophobicContact CG-CG1 3.99Å; Y643-Y695 HydrophobicContact CE1-CD2 4.36Å; Y643-Y695 HydrophobicContact CE2-CD2 4.34Å; Y643-Y695 AromaticContact CZ-CD2 3.96Å
644	H	92.4	Very high	77.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	30%	0.304	C	S	.	.	S	Bend	trans	-62.6	-19.3	-171.7	74.7	100.7	0	0	0	115.8	L646 V669 M670 E687 L761 M762	H644-L646 PolarHBondContact O-N 3.03Å; H644-V669 PolarHBondContact N-O 3.38Å; H644-M670 HydrophobicContact CB-CB 4.04Å; H644-E687 IonicContact CE1-OE2 3.67Å; H644-E687 IonicContact NE2-OE1 3.34Å; H644-E687 IonicContact NE2-OE2 3.06Å; H644-L761 WeakPolarHBondContact O-CA 3.4Å; H644-L761 WeakPolarHBondContact O-CD1 3.43Å; H644-M762 PolarHBondContact CE1-O 3.47Å; H644-M762 PolarHBondContact ND1-O 2.78Å; H644-M762 VanDerWaalsContact ND1-O 3.12Å
645	R	92.4	Very high	78.8	Confident	37 Å²	37	46.7 Å²	46.7	14%	0.14	28%	0.278	C	S	.	.			trans	-75.4	62.5	178.6	-66.4	-59.7	-57.1	-84.4	1.4	112.9	Y643 D647 L648 L649 E687 V692	Y643-R645 HydrophobicContact CD1-CB 4.08Å; Y643-R645 HydrophobicContact CD1-CG 4.04Å; Y643-R645 HydrophobicContact CE1-CB 4.43Å; Y643-R645 HydrophobicContact CE1-CG 3.89Å; Y643-R645 PolarHBondContact O-N 2.94Å; Y643-R645 VanDerWaalsContact O-N 3.13Å; R645-D647 VanDerWaalsContact CA-OD1 3.28Å; R645-D647 WeakPolarHBondContact CA-OD1 3.35Å; R645-D647 IonicContact CZ-OD1 3.56Å; R645-D647 IonicContact CZ-OD2 3.41Å; R645-D647 IonicContact NE-OD1 2.78Å; R645-D647 PolarHBondContact NE-OD1 3.39Å; R645-D647 IonicContact NE-OD2 3.45Å; R645-D647 PolarHBondContact NE-OD2 3.08Å; R645-D647 IonicContact NH2-OD1 3.57Å; R645-D647 IonicContact NH2-OD2 2.65Å; R645-D647 PolarHBondContact NH2-OD2 3.03Å; R645-D647 PolarHBondContact O-N 2.8Å; R645-L648 HydrophobicContact CB-CB 4.4Å; R645-L648 HydrophobicContact CB-CD1 4.19Å; R645-L648 HydrophobicContact CB-CG 4.4Å; R645-L648 HydrophobicContact CG-CD1 4.46Å; R645-L648 VanDerWaalsContact CZ-CD1 3.43Å; R645-L648 VanDerWaalsContact NH2-CD1 3.3Å; R645-L648 VanDerWaalsContact NH2-CG 3.34Å; R645-L648 PolarHBondContact O-N 2.84Å; R645-L648 VanDerWaalsContact O-N 3.16Å; R645-L649 PolarHBondContact O-N 2.9Å; R645-E687 VanDerWaalsContact CD-OE2 3.27Å; R645-E687 WeakPolarHBondContact CD-OE2 3.28Å; R645-E687 VanDerWaalsContact CG-OE2 3.31Å; R645-E687 WeakPolarHBondContact CG-OE2 3.33Å; R645-E687 IonicContact CZ-OE2 3.22Å; R645-E687 IonicContact NE-OE2 3.35Å; R645-E687 IonicContact NH1-OE2 2.62Å; R645-E687 PolarHBondContact NH1-OE2 3.4Å; R645-V692 HydrophobicContact CB-CG1 4.31Å; R645-V692 HydrophobicContact CB-CG2 4Å; R645-V692 HydrophobicContact CG-CG2 4.04Å
646	L	90.1	Very high	80.1	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-32.1	179.7	-58.9	-179.2	0	0	0	112.1	L642 H644 L648 G650 Q651 L661 T663 T668	L642-L646 HydrophobicContact CD1-CD2 4.26Å; L642-L646 HydrophobicContact CD2-CD2 3.7Å; L642-L646 HydrophobicContact CG-CD2 4Å; H644-L646 PolarHBondContact O-N 3.03Å; L646-L648 VanDerWaalsContact C-N 3.35Å; L646-L648 PolarHBondContact O-N 2.92Å; L646-G650 PolarHBondContact O-N 2.02Å; L646-G650 VanDerWaalsContact O-N 3.14Å; L646-Q651 HydrophobicContact CD2-CG 4.03Å; L646-L661 HydrophobicContact CB-CD2 3.8Å; L646-L661 HydrophobicContact CB-CG 4.11Å; L646-L661 HydrophobicContact CD1-CG 4.46Å; L646-T663 HydrophobicContact CD1-CG2 4.16Å; L646-T663 HydrophobicContact CD2-CG2 4.23Å; L646-T668 HydrophobicContact CD1-CG2 4.35Å; L646-T668 HydrophobicContact CD2-CG2 3.77Å; L646-T668 HydrophobicContact CG-CG2 4.23Å
647	D	88.1	Confident	81.6	Confident	65 Å²	65	39.1 Å²	39.1	35%	0.348	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-36.7	176.4	61.7	-45.9	0	0	0	113	R645 L661 L761	R645-D647 VanDerWaalsContact CA-OD1 3.28Å; R645-D647 WeakPolarHBondContact CA-OD1 3.35Å; R645-D647 IonicContact CZ-OD1 3.56Å; R645-D647 IonicContact CZ-OD2 3.41Å; R645-D647 IonicContact NE-OD1 2.78Å; R645-D647 PolarHBondContact NE-OD1 3.39Å; R645-D647 IonicContact NE-OD2 3.45Å; R645-D647 PolarHBondContact NE-OD2 3.08Å; R645-D647 IonicContact NH2-OD1 3.57Å; R645-D647 IonicContact NH2-OD2 2.65Å; R645-D647 PolarHBondContact NH2-OD2 3.03Å; R645-D647 PolarHBondContact O-N 2.8Å; D647-L661 HydrophobicContact CB-CD2 3.96Å; D647-L761 HydrophobicContact CB-CD2 4.44Å; D647-L761 WeakPolarHBondContact OD1-CD1 3.49Å
648	L	89.1	Confident	82.8	Confident	46 Å²	46	38.6 Å²	38.6	24%	0.241	23%	0.226	C	C	.	.	H	α-helix	trans	-87.9	-34.8	-179.2	-64.8	-179.9	0	0	0	113.5	R645 L646 E687 K689 V692	R645-L648 HydrophobicContact CB-CB 4.4Å; R645-L648 HydrophobicContact CB-CD1 4.19Å; R645-L648 HydrophobicContact CB-CG 4.4Å; R645-L648 HydrophobicContact CG-CD1 4.46Å; R645-L648 VanDerWaalsContact CZ-CD1 3.43Å; R645-L648 VanDerWaalsContact NH2-CD1 3.3Å; R645-L648 VanDerWaalsContact NH2-CG 3.34Å; R645-L648 PolarHBondContact O-N 2.84Å; R645-L648 VanDerWaalsContact O-N 3.16Å; L646-L648 VanDerWaalsContact C-N 3.35Å; L646-L648 PolarHBondContact O-N 2.92Å; L648-E687 WeakPolarHBondContact CD1-O 3.45Å; L648-K689 HydrophobicContact CB-CB 4.38Å; L648-K689 WeakPolarHBondContact O-CD 3.4Å; L648-V692 HydrophobicContact CD1-CG2 4.05Å
649	L	83	Confident	84	Confident	36 Å²	36	38.3 Å²	38.3	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-80.6	-27.6	-175	-68.3	177.9	0	0	0	112.4	R645 V692 E693	R645-L649 PolarHBondContact O-N 2.9Å; L649-V692 HydrophobicContact CD1-CG1 3.78Å; L649-V692 HydrophobicContact CD2-CG1 3.88Å; L649-V692 HydrophobicContact CG-CG1 3.86Å; L649-E693 HydrophobicContact CD2-CG 3.98Å
650	G	71.9	Confident	85.1	Confident	54 Å²	54	37.9 Å²	37.9	56%	0.557	21%	0.213	S	C	*	.			trans	68	101.5	-178.1	0	0	0	0	0	111.7	L646	L646-G650 PolarHBondContact O-N 2.02Å; L646-G650 VanDerWaalsContact O-N 3.14Å
651	Q	73.5	Confident	85.8	Confident	40 Å²	40	29.9 Å²	29.9	19%	0.187	18%	0.178	C	C	.	.			trans	-105.1	133.5	178.3	-64.4	-57.6	-38.4	0	0	111.2	L642 L646 S653 A654	L642-Q651 HydrophobicContact CD1-CG 4.49Å; L646-Q651 HydrophobicContact CD2-CG 4.03Å; Q651-S653 PolarHBondContact O-N 2.86Å; Q651-A654 HydrophobicContact CB-CB 4.41Å; Q651-A654 PolarHBondContact O-N 3.08Å
652	P	66.3	Low	86.1	Confident	127 Å²	127	29 Å²	29	83%	0.825	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-21.5	-179.9	27.8	-33.7	0	0	0	113.6
653	S	81.7	Confident	86.1	Confident	34 Å²	34	28.2 Å²	28.2	24%	0.238	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	20.5	-179.4	55.7	0	0	0	0	113.2	Q651 T663 E665	Q651-S653 PolarHBondContact O-N 2.86Å; S653-T663 PolarHBondContact OG-OG1 3.41Å; S653-E665 WeakPolarHBondContact CB-OE1 3.33Å; S653-E665 WeakPolarHBondContact OG-CG 3.48Å; S653-E665 PolarHBondContact OG-OE1 2.7Å; S653-E665 PolarHBondContact OG-OE2 2.81Å
654	A	88.9	Confident	86	Confident	28 Å²	28	31.1 Å²	31.1	23%	0.231	19%	0.185	C	C	.	.			trans	-60.4	139.9	176.9	0	0	0	0	0	111	Q651 L661 A662 L1030	Q651-A654 HydrophobicContact CB-CB 4.41Å; Q651-A654 PolarHBondContact O-N 3.08Å; A654-L661 HydrophobicContact CB-CD1 4.04Å; A654-A662 WeakPolarHBondContact CA-O 3.21Å; A654-L1030 HydrophobicContact CB-CD2 3.98Å; A654-L1030 WeakPolarHBondContact O-CD2 3.46Å
655	C	91.1	Very high	85.8	Confident	15 Å²	15	36.6 Å²	36.6	10%	0.101	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	167.6	176.7	55.9	0	0	0	0	109.5	A662 Q1031 C1033	C655-A662 PolarHBondContact N-O 2.93Å; C655-A662 PolarHBondContact O-N 2.67Å; C655-A662 VanDerWaalsContact O-O 3.1Å; C655-Q1031 CarbonylContact C-O 3.58Å; C655-Q1031 WeakPolarHBondContact CA-O 3.35Å; C655-Q1031 WeakPolarHBondContact CB-O 3.47Å; C655-C1033 HydrophobicContact CB-CB 3.93Å; C655-C1033 WeakPolarHBondContact CB-SG 3.4Å; C655-C1033 WeakPolarHBondContact SG-CA 3.31Å; C655-C1033 WeakPolarHBondContact SG-CB 3.15Å; C655-C1033 CovalentContact SG-SG 2.02Å; C655-C1033 PolarHBondContact SG-SG 3.23Å
656	L	88.8	Confident	85.6	Confident	8 Å²	8	35.5 Å²	35.5	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.8	172.5	-75.3	166.3	0	0	0	109.2	F658 Q660 I1022 Q1027 L1030 Q1031 Q1032 C1033	L656-F658 PolarHBondContact O-N 3.17Å; L656-Q660 CarbonylContact C-O 3.6Å; L656-Q660 WeakPolarHBondContact CA-O 3.28Å; L656-I1022 HydrophobicContact CD2-CD1 4.18Å; L656-Q1027 HydrophobicContact CD1-CG 3.9Å; L656-Q1027 VanDerWaalsContact CD1-O 3.3Å; L656-Q1027 WeakPolarHBondContact CD1-O 3.41Å; L656-Q1027 HydrophobicContact CD2-CG 4.25Å; L656-L1030 HydrophobicContact CD1-CB 3.94Å; L656-L1030 HydrophobicContact CD2-CD1 4.48Å; L656-L1030 HydrophobicContact CG-CB 3.81Å; L656-L1030 HydrophobicContact CG-CD1 4.29Å; L656-Q1031 PolarHBondContact N-O 3.32Å; L656-Q1032 CarbonylContact O-C 3.43Å; L656-Q1032 VanDerWaalsContact O-CA 3.27Å; L656-Q1032 WeakPolarHBondContact O-CA 3.37Å; L656-Q1032 PolarHBondContact O-OE1 3.33Å; L656-C1033 PolarHBondContact O-N 2.84Å
657	H	88.9	Confident	85.7	Confident	3 Å²	3	35.2 Å²	35.2	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	93.9	167.2	-168.1	53.7	0	0	0	107.5	K659 Q660 A662 V743 R744 C1033	H657-K659 PolarHBondContact O-N 3.42Å; H657-Q660 PolarHBondContact N-O 3.46Å; H657-Q660 PolarHBondContact O-N 2.95Å; H657-Q660 VanDerWaalsContact O-N 3.08Å; H657-A662 HydrophobicContact CB-CB 3.5Å; H657-A662 VanDerWaalsContact CB-CB 3.5Å; H657-V743 PolarHBondContact NE2-O 2.78Å; H657-R744 PolarHBondContact CD2-NH2 3.13Å; H657-C1033 HydrophobicContact CB-CB 4.28Å; H657-C1033 PolarHBondContact N-SG 3.48Å; H657-C1033 VanDerWaalsContact N-SG 3.39Å
658	F	86.6	Confident	86	Confident	19 Å²	19	32.1 Å²	32.1	8%	0.083	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-108.5	-166.3	-51	-80	0	0	0	111	L656 V743 G794 A796 Q1032 L1051 D1052	L656-F658 PolarHBondContact O-N 3.17Å; F658-V743 HydrophobicContact CE2-CG1 4.19Å; F658-G794 WeakPolarHBondContact CB-O 3.37Å; F658-A796 HydrophobicContact CD2-CB 3.89Å; F658-A796 HydrophobicContact CE1-CB 4.31Å; F658-A796 HydrophobicContact CE2-CB 3.66Å; F658-A796 HydrophobicContact CG-CB 4.32Å; F658-A796 HydrophobicContact CZ-CB 3.89Å; F658-Q1032 VanDerWaalsContact N-OE1 3.15Å; F658-Q1032 PolarHBondContact O-NE2 2.84Å; F658-Q1032 PolarHBondContact O-OE1 3.25Å; F658-L1051 HydrophobicContact CZ-CB 4.19Å; F658-L1051 HydrophobicContact CZ-CD2 3.88Å; F658-D1052 HydrophobicContact CD1-CB 4.46Å; F658-D1052 HydrophobicContact CE1-CB 3.92Å
659	K	81.7	Confident	86.2	Confident	49 Å²	49	30 Å²	30	21%	0.213	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-21.3	176.7	-62.4	-176.2	177.3	-176.8	0	111.7	H657 G794 Y1019 Y1088 D1090	H657-K659 PolarHBondContact O-N 3.42Å; K659-G794 PolarHBondContact N-O 2.83Å; K659-Y1019 HydrophobicContact CB-CE2 3.77Å; K659-Y1019 PolarHBondContact O-OH 2.64Å; K659-Y1088 PolarHBondContact NZ-O 3.39Å; K659-D1090 WeakPolarHBondContact CE-OD1 3.41Å; K659-D1090 IonicContact NZ-OD1 3.62Å; K659-D1090 PolarHBondContact NZ-OD1 3.39Å
660	Q	86.8	Confident	86.8	Confident	20 Å²	20	28.2 Å²	28.2	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	145.4	-172	-73.6	178.5	-8.8	0	0	114.3	L656 H657 A662 R744 Y1019	L656-Q660 CarbonylContact C-O 3.6Å; L656-Q660 WeakPolarHBondContact CA-O 3.28Å; H657-Q660 PolarHBondContact N-O 3.46Å; H657-Q660 PolarHBondContact O-N 2.95Å; H657-Q660 VanDerWaalsContact O-N 3.08Å; Q660-A662 PolarHBondContact O-N 2.84Å; Q660-R744 VanDerWaalsContact OE1-CZ 3.25Å; Q660-Y1019 HydrophobicContact CG-CD2 4.48Å; Q660-Y1019 HydrophobicContact CG-CE2 3.96Å
661	L	90.3	Very high	87.9	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.5	168.2	-176.9	64.3	0	0	0	109.6	L646 D647 A654 L761 I1022 L1030	L646-L661 HydrophobicContact CB-CD2 3.8Å; L646-L661 HydrophobicContact CB-CG 4.11Å; L646-L661 HydrophobicContact CD1-CG 4.46Å; D647-L661 HydrophobicContact CB-CD2 3.96Å; A654-L661 HydrophobicContact CB-CD1 4.04Å; L661-L761 HydrophobicContact CB-CB 4.13Å; L661-L761 HydrophobicContact CB-CD2 4.28Å; L661-L761 HydrophobicContact CD2-CD2 4.47Å; L661-L761 PolarHBondContact O-N 3.04Å; L661-I1022 HydrophobicContact CB-CD1 3.74Å; L661-I1022 HydrophobicContact CB-CG1 4.34Å; L661-L1030 HydrophobicContact CD1-CD1 3.51Å
662	A	92.1	Very high	88.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	174.6	-175	0	0	0	0	0	113.4	A654 C655 H657 Q660 G759	A654-A662 WeakPolarHBondContact CA-O 3.21Å; C655-A662 PolarHBondContact N-O 2.93Å; C655-A662 PolarHBondContact O-N 2.67Å; C655-A662 VanDerWaalsContact O-O 3.1Å; H657-A662 HydrophobicContact CB-CB 3.5Å; H657-A662 VanDerWaalsContact CB-CB 3.5Å; Q660-A662 PolarHBondContact O-N 2.84Å; A662-G759 CarbonylContact C-O 3.2Å; A662-G759 WeakPolarHBondContact CA-O 3.3Å; A662-G759 VanDerWaalsContact CB-O 3.3Å; A662-G759 WeakPolarHBondContact CB-O 3.41Å
663	T	91.7	Very high	90.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.6	171.8	176.8	0	0	0	0	110.3	L642 L646 S653 E665 G759	L642-T663 HydrophobicContact CD2-CG2 3.6Å; L646-T663 HydrophobicContact CD1-CG2 4.16Å; L646-T663 HydrophobicContact CD2-CG2 4.23Å; S653-T663 PolarHBondContact OG-OG1 3.41Å; T663-E665 PolarHBondContact OG1-N 2.79Å; T663-G759 PolarHBondContact N-O 2.84Å; T663-G759 PolarHBondContact O-N 3.21Å
664	L	90	Very high	90.5	Very high	61 Å²	61	16.5 Å²	16.5	32%	0.319	9%	0.088	S	C	.	.	S	Bend	trans	-88.1	-13.5	175.2	-65.2	176.9	0	0	0	113	S666 Y757 P758 C1033	L664-S666 VanDerWaalsContact C-N 3.34Å; L664-S666 PolarHBondContact O-N 3.09Å; L664-Y757 PolarHBondContact O-OH 2.67Å; L664-P758 HydrophobicContact CD2-CB 3.92Å; L664-P758 HydrophobicContact CD2-CG 3.72Å; L664-C1033 HydrophobicContact CD1-CB 4.39Å; L664-C1033 WeakPolarHBondContact CD1-O 3.2Å; L664-C1033 HydrophobicContact CD2-CB 4.36Å; L664-C1033 HydrophobicContact CG-CB 4.28Å
665	E	87.9	Confident	90.7	Very high	116 Å²	116	15.1 Å²	15.1	54%	0.542	8%	0.077	S	C	.	.	S	Bend	trans	-69	-30.3	-173.5	-70.2	-174.8	167.4	0	0	113.5	S653 T663	S653-E665 WeakPolarHBondContact CB-OE1 3.33Å; S653-E665 WeakPolarHBondContact OG-CG 3.48Å; S653-E665 PolarHBondContact OG-OE1 2.7Å; S653-E665 PolarHBondContact OG-OE2 2.81Å; T663-E665 PolarHBondContact OG1-N 2.79Å
666	S	89.1	Confident	90.9	Very high	14 Å²	14	14.9 Å²	14.9	10%	0.098	7%	0.074	C	C	.	.	S	Bend	trans	-161.6	150.2	-177.3	176.2	0	0	0	0	111.1	L664 G759	L664-S666 VanDerWaalsContact C-N 3.34Å; L664-S666 PolarHBondContact O-N 3.09Å; S666-G759 WeakPolarHBondContact O-CA 3.36Å; S666-G759 PolarHBondContact O-N 3.47Å
667	P	92.7	Very high	91	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.			trans	-62	148.9	164.9	25.6	-33.7	0	0	0	111.5	T726 R755 I756 Y757	P667-T726 HydrophobicContact CG-CG2 3.53Å; P667-R755 HydrophobicContact CB-CG 3.85Å; P667-R755 HydrophobicContact CG-CG 4.37Å; P667-I756 CarbonylContact C-O 3.51Å; P667-I756 WeakPolarHBondContact CA-O 3.35Å; P667-I756 VanDerWaalsContact CB-O 3.26Å; P667-I756 WeakPolarHBondContact CB-O 3.15Å; P667-Y757 HydrophobicContact CB-CD2 4.19Å
668	T	93.6	Very high	91.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	151.1	172.6	51.9	0	0	0	0	111.2	L642 L646 R755 I756 G759 S760	L642-T668 HydrophobicContact CD2-CG2 3.84Å; L642-T668 HydrophobicContact CG-CG2 4.01Å; L642-T668 CarbonylContact O-C 3.59Å; L642-T668 WeakPolarHBondContact O-CA 3.04Å; L646-T668 HydrophobicContact CD1-CG2 4.35Å; L646-T668 HydrophobicContact CD2-CG2 3.77Å; L646-T668 HydrophobicContact CG-CG2 4.23Å; T668-R755 VanDerWaalsContact O-CA 3.31Å; T668-R755 WeakPolarHBondContact O-CA 3.05Å; T668-I756 PolarHBondContact N-O 3.11Å; T668-I756 PolarHBondContact O-N 3.36Å; T668-I756 VanDerWaalsContact OG1-CG2 3.25Å; T668-I756 WeakPolarHBondContact OG1-CG2 3.47Å; T668-G759 WeakPolarHBondContact OG1-CA 3.02Å; T668-S760 PolarHBondContact OG1-N 2.79Å; T668-S760 PolarHBondContact OG1-O 3.45Å
669	V	94.4	Very high	91.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.8	170.3	179.9	0	0	0	0	109.2	L642 Y643 H644 L671 V719 V753 L754 R755	L642-V669 PolarHBondContact O-N 2.68Å; Y643-V669 WeakPolarHBondContact CD2-O 3.28Å; H644-V669 PolarHBondContact N-O 3.38Å; V669-L671 HydrophobicContact CG1-CD2 4.19Å; V669-V719 HydrophobicContact CG1-CG1 4.36Å; V669-V719 HydrophobicContact CG1-CG2 4.09Å; V669-V719 HydrophobicContact CG2-CG1 4.4Å; V669-V753 HydrophobicContact CG1-CG1 4.26Å; V669-L754 CarbonylContact C-O 3.54Å; V669-L754 WeakPolarHBondContact CA-O 3.31Å; V669-R755 VanDerWaalsContact CG2-NH2 3.3Å
670	M	94.5	Very high	91.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139	170.7	-179.6	-87.4	174.9	0	0	109	H644 L754 M762 D763 F766	H644-M670 HydrophobicContact CB-CB 4.04Å; M670-L754 HydrophobicContact CB-CB 4.3Å; M670-L754 HydrophobicContact CB-CD2 4.41Å; M670-L754 PolarHBondContact N-O 3.09Å; M670-L754 PolarHBondContact O-N 2.86Å; M670-L754 HydrophobicContact SD-CB 4.42Å; M670-L754 HydrophobicContact SD-CD2 4.48Å; M670-M762 HydrophobicContact CB-CB 4.39Å; M670-M762 HydrophobicContact CB-CG 4.33Å; M670-M762 HydrophobicContact CG-CB 3.93Å; M670-M762 HydrophobicContact CG-CG 4.37Å; M670-D763 WeakPolarHBondContact CE-O 3.38Å; M670-F766 HydrophobicContact CE-CB 4.07Å; M670-F766 WeakPolarHBondContact CE-O 3.41Å; M670-F766 HydrophobicContact SD-CD1 4.48Å
671	L	95.1	Very high	91.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.2	177.2	-61.6	-179.3	0	0	0	108.1	Y643 V669 F676 L699 L711 V715 V719 V753	Y643-L671 HydrophobicContact CE2-CD1 4.15Å; Y643-L671 HydrophobicContact CE2-CG 4.09Å; V669-L671 HydrophobicContact CG1-CD2 4.19Å; L671-F676 HydrophobicContact CB-CE2 3.88Å; L671-F676 HydrophobicContact CB-CZ 4.22Å; L671-F676 HydrophobicContact CD1-CZ 4.39Å; L671-L699 HydrophobicContact CD1-CD1 4.23Å; L671-L711 HydrophobicContact CD1-CD1 3.99Å; L671-L711 HydrophobicContact CD1-CD2 3.65Å; L671-L711 HydrophobicContact CD1-CG 4.5Å; L671-V715 HydrophobicContact CD1-CG1 4.31Å; L671-V715 HydrophobicContact CD2-CG1 3.75Å; L671-V719 HydrophobicContact CD2-CG2 4.09Å; L671-V753 HydrophobicContact CD2-CB 4.42Å; L671-V753 HydrophobicContact CD2-CG1 4.35Å; L671-V753 HydrophobicContact CD2-CG2 3.92Å
672	S	93.4	Very high	91.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.107	C	C	.	.			trans	-69.7	164.1	174.5	88.3	0	0	0	0	110.7	G674 S675 F676 G752 F766	S672-G674 PolarHBondContact O-N 3Å; S672-G674 PolarHBondContact OG-N 2.82Å; S672-S675 VanDerWaalsContact O-CB 3.28Å; S672-S675 WeakPolarHBondContact O-CB 3.32Å; S672-S675 PolarHBondContact O-N 3.4Å; S672-F676 WeakPolarHBondContact O-CD2 3.15Å; S672-G752 PolarHBondContact N-O 3.08Å; S672-G752 VanDerWaalsContact OG-CA 3.28Å; S672-G752 WeakPolarHBondContact OG-CA 3.48Å; S672-F766 WeakPolarHBondContact CB-O 3.26Å
673	A	92.6	Very high	91.6	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-52.8	-31	176.3	0	0	0	0	0	112.9	Y512 S675 F676 P679 L683	Y512-A673 HydrophobicContact CE1-CB 3.94Å; A673-S675 PolarHBondContact O-N 3.11Å; A673-F676 PolarHBondContact O-N 3.41Å; A673-F676 VanDerWaalsContact O-N 3.16Å; A673-P679 HydrophobicContact CB-CB 3.97Å; A673-P679 WeakPolarHBondContact O-CB 3.49Å; A673-P679 WeakPolarHBondContact O-CG 3.29Å; A673-L683 HydrophobicContact CB-CD1 3.71Å; A673-L683 HydrophobicContact CB-CD2 3.98Å; A673-L683 HydrophobicContact CB-CG 3.74Å
674	G	90.7	Very high	91.2	Very high	6 Å²	6	22.1 Å²	22.1	6%	0.062	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64.1	-17	175.8	0	0	0	0	0	115	S672 F676 K712 N751	S672-G674 PolarHBondContact O-N 3Å; S672-G674 PolarHBondContact OG-N 2.82Å; G674-F676 VanDerWaalsContact C-N 3.34Å; G674-K712 WeakPolarHBondContact O-CD 3.3Å; G674-K712 WeakPolarHBondContact O-CE 3.34Å; G674-K712 PolarHBondContact O-NZ 3.39Å; G674-N751 CarbonylContact C-O 3.57Å
675	S	93.8	Very high	90.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-78.8	-15.5	175.2	-66	0	0	0	0	113.6	S672 A673 K712 V715 N751	S672-S675 VanDerWaalsContact O-CB 3.28Å; S672-S675 WeakPolarHBondContact O-CB 3.32Å; S672-S675 PolarHBondContact O-N 3.4Å; A673-S675 PolarHBondContact O-N 3.11Å; S675-K712 PolarHBondContact O-N 2.94Å; S675-V715 WeakPolarHBondContact O-CG2 3.39Å; S675-N751 VanDerWaalsContact CA-O 3.31Å; S675-N751 WeakPolarHBondContact CA-O 3.41Å; S675-N751 PolarHBondContact N-O 3.05Å; S675-N751 PolarHBondContact OG-O 3.26Å
676	F	93.5	Very high	90.7	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.039	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-95.3	155.7	-176.3	-65.4	-94.7	0	0	0	112	L671 S672 A673 G674 S678 H682 Y695 L711 K712	L671-F676 HydrophobicContact CB-CE2 3.88Å; L671-F676 HydrophobicContact CB-CZ 4.22Å; L671-F676 HydrophobicContact CD1-CZ 4.39Å; S672-F676 WeakPolarHBondContact O-CD2 3.15Å; A673-F676 PolarHBondContact O-N 3.41Å; A673-F676 VanDerWaalsContact O-N 3.16Å; G674-F676 VanDerWaalsContact C-N 3.34Å; F676-S678 VanDerWaalsContact C-N 3.34Å; F676-H682 HydrophobicContact CB-CB 4.39Å; F676-H682 HydrophobicContact CD1-CB 4.28Å; F676-H682 HydrophobicContact CD2-CB 3.99Å; F676-H682 AromaticContact CD2-CD2 3.97Å; F676-H682 AromaticContact CD2-CG 3.66Å; F676-H682 AromaticContact CD2-ND1 3.9Å; F676-H682 AromaticContact CE1-ND1 3.78Å; F676-H682 HydrophobicContact CE2-CB 4.36Å; F676-H682 AromaticContact CE2-CD2 3.83Å; F676-H682 AromaticContact CE2-CE1 3.48Å; F676-H682 VanDerWaalsContact CE2-CE1 3.48Å; F676-H682 WeakPolarHBondContact CE2-CE1 3.19Å; F676-H682 AromaticContact CE2-CG 3.59Å; F676-H682 AromaticContact CE2-ND1 3.37Å; F676-H682 WeakPolarHBondContact CE2-ND1 3.14Å; F676-H682 AromaticContact CE2-NE2 3.76Å; F676-H682 HydrophobicContact CG-CB 3.96Å; F676-H682 AromaticContact CZ-CE1 3.57Å; F676-H682 AromaticContact CZ-CG 3.95Å; F676-H682 AromaticContact CZ-ND1 3.31Å; F676-H682 VanDerWaalsContact CZ-ND1 3.31Å; F676-H682 WeakPolarHBondContact CZ-ND1 3.31Å; F676-Y695 HydrophobicContact CE1-CE1 4.03Å; F676-Y695 HydrophobicContact CE1-CE2 4.41Å; F676-Y695 AromaticContact CE1-CZ 3.8Å; F676-Y695 HydrophobicContact CZ-CE2 4.42Å; F676-L711 HydrophobicContact CD1-CD2 3.65Å; F676-L711 HydrophobicContact CD2-CD2 4.46Å; F676-L711 HydrophobicContact CE1-CD2 3.45Å; F676-L711 VanDerWaalsContact CE1-CD2 3.45Å; F676-L711 HydrophobicContact CE2-CD2 4.3Å; F676-L711 HydrophobicContact CG-CD2 4.16Å; F676-L711 HydrophobicContact CZ-CD2 3.8Å; F676-K712 WeakPolarHBondContact O-CE 3.26Å
677	S	91	Very high	90.7	Very high	62 Å²	62	22.2 Å²	22.2	43%	0.434	13%	0.129	S	C	.	.	S	Bend	trans	-72.6	-30.4	175.1	-56.1	0	0	0	0	112.1	G710	S677-G710 WeakPolarHBondContact CB-O 3.42Å; S677-G710 PolarHBondContact N-O 3Å; S677-G710 PolarHBondContact OG-O 3.11Å
678	S	90.9	Very high	90.7	Very high	23 Å²	23	25.5 Å²	25.5	16%	0.161	15%	0.149	C	C	.	.			trans	-122.9	95.6	165.7	-179.7	0	0	0	0	109.4	E508 F676 Y680 E681 H682	E508-S678 PolarHBondContact OE1-OG 2.96Å; E508-S678 WeakPolarHBondContact OE2-CA 3.41Å; E508-S678 PolarHBondContact OE2-OG 2.89Å; F676-S678 VanDerWaalsContact C-N 3.34Å; S678-Y680 PolarHBondContact O-N 2.75Å; S678-E681 PolarHBondContact O-N 3.08Å; S678-E681 PolarHBondContact OG-N 2.84Å; S678-H682 PolarHBondContact O-N 2.78Å
679	P	92.4	Very high	90.6	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.032	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-36.4	173.2	-27.5	35.1	0	0	0	113.1	E508 Y512 A673 L683	E508-P679 HydrophobicContact CB-CB 4.47Å; E508-P679 HydrophobicContact CB-CG 4.41Å; E508-P679 VanDerWaalsContact OE2-CD 3.32Å; E508-P679 WeakPolarHBondContact OE2-CD 3.47Å; Y512-P679 HydrophobicContact CD1-CB 4.37Å; Y512-P679 HydrophobicContact CD1-CG 4.35Å; Y512-P679 HydrophobicContact CD2-CB 3.44Å; Y512-P679 VanDerWaalsContact CD2-CB 3.44Å; Y512-P679 HydrophobicContact CD2-CG 3.48Å; Y512-P679 VanDerWaalsContact CD2-CG 3.48Å; Y512-P679 HydrophobicContact CE1-CB 4.34Å; Y512-P679 HydrophobicContact CE2-CB 3.39Å; Y512-P679 HydrophobicContact CE2-CG 4.02Å; Y512-P679 HydrophobicContact CG-CB 3.94Å; Y512-P679 HydrophobicContact CG-CG 3.67Å; A673-P679 HydrophobicContact CB-CB 3.97Å; A673-P679 WeakPolarHBondContact O-CB 3.49Å; A673-P679 WeakPolarHBondContact O-CG 3.29Å; P679-L683 VanDerWaalsContact O-CG 3.32Å; P679-L683 WeakPolarHBondContact O-CG 3.34Å; P679-L683 PolarHBondContact O-N 3.4Å; P679-L683 VanDerWaalsContact O-N 3.11Å
680	Y	89.3	Confident	90.5	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-43.6	-179.7	173.2	-96.1	0	0	0	112.7	N155 N502 A504 Y505 E508 S678 H682 L683 S684	N155-Y680 PolarHBondContact OD1-OH 3.29Å; N502-Y680 HydrophobicContact CB-CE2 4Å; N502-Y680 VanDerWaalsContact CG-CE2 3.44Å; N502-Y680 PolarHBondContact ND2-OH 3.1Å; A504-Y680 HydrophobicContact CB-CD2 3.83Å; A504-Y680 HydrophobicContact CB-CE2 4.26Å; Y505-Y680 AromaticContact CD2-CD1 3.41Å; Y505-Y680 HydrophobicContact CD2-CD1 3.41Å; Y505-Y680 VanDerWaalsContact CD2-CD1 3.41Å; Y505-Y680 AromaticContact CD2-CE1 3.98Å; Y505-Y680 HydrophobicContact CD2-CE1 3.98Å; Y505-Y680 AromaticContact CD2-CG 3.91Å; Y505-Y680 HydrophobicContact CD2-CG 3.91Å; Y505-Y680 HydrophobicContact CE2-CD1 4.36Å; Y505-Y680 HydrophobicContact CG-CD1 4.08Å; Y505-Y680 HydrophobicContact CG-CE1 4.36Å; Y505-Y680 HydrophobicContact CG-CG 4.39Å; E508-Y680 VanDerWaalsContact OE2-CB 3.28Å; E508-Y680 WeakPolarHBondContact OE2-CB 3.37Å; E508-Y680 PolarHBondContact OE2-N 3.39Å; S678-Y680 PolarHBondContact O-N 2.75Å; Y680-H682 VanDerWaalsContact C-N 3.32Å; Y680-H682 PolarHBondContact O-N 3.11Å; Y680-L683 PolarHBondContact O-N 3.3Å; Y680-S684 VanDerWaalsContact O-CB 3.31Å; Y680-S684 WeakPolarHBondContact O-CB 3.44Å; Y680-S684 PolarHBondContact O-N 2.85Å; Y680-S684 PolarHBondContact O-OG 3.26Å
681	E	88.1	Confident	90.4	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-41.1	-179.7	-171.6	172.4	-172.2	0	0	111.4	S678 L683 S684 Q685	S678-E681 PolarHBondContact O-N 3.08Å; S678-E681 PolarHBondContact OG-N 2.84Å; E681-L683 PolarHBondContact O-N 3.48Å; E681-S684 WeakPolarHBondContact CA-OG 3.29Å; E681-S684 PolarHBondContact O-OG 3.18Å; E681-Q685 PolarHBondContact O-N 3.19Å
682	H	89.8	Confident	90.3	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-43.6	174.2	175.4	72.5	0	0	0	112.5	F676 S678 Y680 E687	F676-H682 HydrophobicContact CB-CB 4.39Å; F676-H682 HydrophobicContact CD1-CB 4.28Å; F676-H682 HydrophobicContact CD2-CB 3.99Å; F676-H682 AromaticContact CD2-CD2 3.97Å; F676-H682 AromaticContact CD2-CG 3.66Å; F676-H682 AromaticContact CD2-ND1 3.9Å; F676-H682 AromaticContact CE1-ND1 3.78Å; F676-H682 HydrophobicContact CE2-CB 4.36Å; F676-H682 AromaticContact CE2-CD2 3.83Å; F676-H682 AromaticContact CE2-CE1 3.48Å; F676-H682 VanDerWaalsContact CE2-CE1 3.48Å; F676-H682 WeakPolarHBondContact CE2-CE1 3.19Å; F676-H682 AromaticContact CE2-CG 3.59Å; F676-H682 AromaticContact CE2-ND1 3.37Å; F676-H682 WeakPolarHBondContact CE2-ND1 3.14Å; F676-H682 AromaticContact CE2-NE2 3.76Å; F676-H682 HydrophobicContact CG-CB 3.96Å; F676-H682 AromaticContact CZ-CE1 3.57Å; F676-H682 AromaticContact CZ-CG 3.95Å; F676-H682 AromaticContact CZ-ND1 3.31Å; F676-H682 VanDerWaalsContact CZ-ND1 3.31Å; F676-H682 WeakPolarHBondContact CZ-ND1 3.31Å; S678-H682 PolarHBondContact O-N 2.78Å; Y680-H682 VanDerWaalsContact C-N 3.32Å; Y680-H682 PolarHBondContact O-N 3.11Å; H682-E687 IonicContact CE1-OE1 2.69Å
683	L	88.6	Confident	90.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-76.9	-33	-178.1	-69.5	174.7	0	0	0	113.4	Y512 Y540 A673 P679 Y680 E681 K764 A765	Y512-L683 WeakPolarHBondContact OH-CD1 3.49Å; Y540-L683 HydrophobicContact CD1-CD1 4.11Å; Y540-L683 HydrophobicContact CD2-CB 4.01Å; Y540-L683 HydrophobicContact CD2-CD1 4.25Å; Y540-L683 HydrophobicContact CE1-CB 4.36Å; Y540-L683 HydrophobicContact CE1-CD2 4.49Å; Y540-L683 HydrophobicContact CE2-CB 3.71Å; Y540-L683 HydrophobicContact CG-CB 4.45Å; Y540-L683 HydrophobicContact CG-CD1 3.96Å; Y540-L683 PolarHBondContact OH-O 2.83Å; Y540-L683 VanDerWaalsContact OH-O 3.13Å; A673-L683 HydrophobicContact CB-CD1 3.71Å; A673-L683 HydrophobicContact CB-CD2 3.98Å; A673-L683 HydrophobicContact CB-CG 3.74Å; P679-L683 VanDerWaalsContact O-CG 3.32Å; P679-L683 WeakPolarHBondContact O-CG 3.34Å; P679-L683 PolarHBondContact O-N 3.4Å; P679-L683 VanDerWaalsContact O-N 3.11Å; Y680-L683 PolarHBondContact O-N 3.3Å; E681-L683 PolarHBondContact O-N 3.48Å; L683-K764 WeakPolarHBondContact O-CE 3.22Å; L683-K764 PolarHBondContact O-NZ 3.31Å; L683-A765 HydrophobicContact CD2-CB 3.99Å
684	S	83.8	Confident	90.2	Very high	45 Å²	45	51.1 Å²	51.1	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-76.9	-33	-178.4	54.6	0	0	0	0	113	Y680 E681	Y680-S684 VanDerWaalsContact O-CB 3.31Å; Y680-S684 WeakPolarHBondContact O-CB 3.44Å; Y680-S684 PolarHBondContact O-N 2.85Å; Y680-S684 PolarHBondContact O-OG 3.26Å; E681-S684 WeakPolarHBondContact CA-OG 3.29Å; E681-S684 PolarHBondContact O-OG 3.18Å
685	Q	83	Confident	90.3	Very high	84 Å²	84	51.5 Å²	51.5	39%	0.393	26%	0.258	S	S	.	.	S	Bend	trans	-94.7	145.4	-178.7	-61.9	-176.3	14.1	0	0	112.1	E681 K764	E681-Q685 PolarHBondContact O-N 3.19Å; Q685-K764 PolarHBondContact O-NZ 2.76Å
686	P	84.9	Confident	90.1	Very high	100 Å²	100	52.8 Å²	52.8	65%	0.649	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-72.3	137.1	168.9	30.3	-32.7	0	0	0	109.9	T688	P686-T688 PolarHBondContact O-N 3.26Å
687	E	88.9	Confident	89.9	Confident	10 Å²	10	54 Å²	54	5%	0.047	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.4	131.9	173.9	-45.3	166	101.2	0	0	109.6	Y643 H644 R645 L648 H682 V692	Y643-E687 PolarHBondContact OH-OE1 3.23Å; H644-E687 IonicContact CE1-OE2 3.67Å; H644-E687 IonicContact NE2-OE1 3.34Å; H644-E687 IonicContact NE2-OE2 3.06Å; R645-E687 VanDerWaalsContact CD-OE2 3.27Å; R645-E687 WeakPolarHBondContact CD-OE2 3.28Å; R645-E687 VanDerWaalsContact CG-OE2 3.31Å; R645-E687 WeakPolarHBondContact CG-OE2 3.33Å; R645-E687 IonicContact CZ-OE2 3.22Å; R645-E687 IonicContact NE-OE2 3.35Å; R645-E687 IonicContact NH1-OE2 2.62Å; R645-E687 PolarHBondContact NH1-OE2 3.4Å; L648-E687 WeakPolarHBondContact CD1-O 3.45Å; H682-E687 IonicContact CE1-OE1 2.69Å; E687-V692 HydrophobicContact CB-CG2 4.24Å
688	T	91.7	Very high	89.9	Confident	68 Å²	68	52.4 Å²	52.4	42%	0.417	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-101.3	159.2	177.2	65.9	0	0	0	0	111	P686 R690 M691 V692	P686-T688 PolarHBondContact O-N 3.26Å; T688-R690 PolarHBondContact O-N 3.21Å; T688-M691 HydrophobicContact CG2-SD 4.23Å; T688-M691 WeakPolarHBondContact O-CB 3.34Å; T688-M691 PolarHBondContact O-N 2.85Å; T688-M691 VanDerWaalsContact OG1-CG 3.28Å; T688-M691 WeakPolarHBondContact OG1-CG 3.29Å; T688-M691 PolarHBondContact OG1-N 3.28Å; T688-M691 PolarHBondContact OG1-SD 2.48Å; T688-V692 PolarHBondContact O-N 2.75Å
689	K	92.8	Very high	89.9	Confident	104 Å²	104	51.4 Å²	51.4	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-51.5	-44	176.9	-179.1	174.6	179.3	164.8	0	112.4	L648 M691 V692 E693	L648-K689 HydrophobicContact CB-CB 4.38Å; L648-K689 WeakPolarHBondContact O-CD 3.4Å; K689-M691 PolarHBondContact O-N 3.06Å; K689-V692 PolarHBondContact O-N 3.47Å; K689-E693 WeakPolarHBondContact CE-OE1 3.37Å; K689-E693 HydrophobicContact CG-CG 4.44Å; K689-E693 WeakPolarHBondContact O-CG 3.1Å; K689-E693 PolarHBondContact O-N 3.15Å
690	R	92.6	Very high	89.5	Confident	208 Å²	208	53.7 Å²	53.7	79%	0.785	27%	0.271	S	S	*	.	H	α-helix	trans	-62.6	-39.8	178.6	-173.8	179.3	180	-179.8	0.4	112.7	T688 H694	T688-R690 PolarHBondContact O-N 3.21Å; R690-H694 WeakPolarHBondContact O-CB 3.34Å; R690-H694 PolarHBondContact O-N 3.15Å
691	M	91.8	Very high	89.3	Confident	53 Å²	53	54.3 Å²	54.3	26%	0.261	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-45.7	176.4	-69.4	165.5	72.5	0	0	110.8	T688 K689 E693 H694 Y695	T688-M691 HydrophobicContact CG2-SD 4.23Å; T688-M691 WeakPolarHBondContact O-CB 3.34Å; T688-M691 PolarHBondContact O-N 2.85Å; T688-M691 VanDerWaalsContact OG1-CG 3.28Å; T688-M691 WeakPolarHBondContact OG1-CG 3.29Å; T688-M691 PolarHBondContact OG1-N 3.28Å; T688-M691 PolarHBondContact OG1-SD 2.48Å; K689-M691 PolarHBondContact O-N 3.06Å; M691-E693 PolarHBondContact O-N 3.14Å; M691-H694 WeakPolarHBondContact O-CB 3.14Å; M691-H694 PolarHBondContact O-N 3.09Å; M691-H694 VanDerWaalsContact O-N 3.13Å; M691-Y695 HydrophobicContact CB-CE2 4.34Å; M691-Y695 WeakPolarHBondContact CE-OH 3.45Å; M691-Y695 WeakPolarHBondContact O-CD2 3.14Å; M691-Y695 VanDerWaalsContact O-CG 3.29Å; M691-Y695 PolarHBondContact O-N 3.19Å
692	V	92.5	Very high	88.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-42.5	179.1	174.7	0	0	0	0	111.9	Y643 R645 L648 L649 E687 T688 K689 H694 Y695 T696	Y643-V692 HydrophobicContact CD1-CB 4.36Å; Y643-V692 HydrophobicContact CD1-CG1 3.47Å; Y643-V692 VanDerWaalsContact CD1-CG1 3.47Å; Y643-V692 HydrophobicContact CD1-CG2 4.14Å; Y643-V692 HydrophobicContact CE1-CG1 4.22Å; Y643-V692 HydrophobicContact CE1-CG2 4.09Å; Y643-V692 HydrophobicContact CG-CG1 3.99Å; R645-V692 HydrophobicContact CB-CG1 4.31Å; R645-V692 HydrophobicContact CB-CG2 4Å; R645-V692 HydrophobicContact CG-CG2 4.04Å; L648-V692 HydrophobicContact CD1-CG2 4.05Å; L649-V692 HydrophobicContact CD1-CG1 3.78Å; L649-V692 HydrophobicContact CD2-CG1 3.88Å; L649-V692 HydrophobicContact CG-CG1 3.86Å; E687-V692 HydrophobicContact CB-CG2 4.24Å; T688-V692 PolarHBondContact O-N 2.75Å; K689-V692 PolarHBondContact O-N 3.47Å; V692-H694 VanDerWaalsContact C-N 3.29Å; V692-H694 PolarHBondContact O-N 3.05Å; V692-Y695 PolarHBondContact O-N 3Å; V692-T696 WeakPolarHBondContact O-CB 3.48Å; V692-T696 PolarHBondContact O-N 3.24Å; V692-T696 PolarHBondContact O-OG1 3.43Å
693	E	91.9	Very high	88.2	Confident	94 Å²	94	56.5 Å²	56.5	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-39.7	173.5	-74.6	172.4	171.4	0	0	111.3	L649 K689 M691 T696 A697	L649-E693 HydrophobicContact CD2-CG 3.98Å; K689-E693 WeakPolarHBondContact CE-OE1 3.37Å; K689-E693 HydrophobicContact CG-CG 4.44Å; K689-E693 WeakPolarHBondContact O-CG 3.1Å; K689-E693 PolarHBondContact O-N 3.15Å; M691-E693 PolarHBondContact O-N 3.14Å; E693-T696 PolarHBondContact O-N 2.81Å; E693-A697 WeakPolarHBondContact O-CB 3.49Å; E693-A697 PolarHBondContact O-N 3.39Å
694	H	92.4	Very high	87.8	Confident	81 Å²	81	61 Å²	61	38%	0.375	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-42.1	177.2	-168	37.9	0	0	0	112.7	R690 M691 V692 A697 Y698	R690-H694 WeakPolarHBondContact O-CB 3.34Å; R690-H694 PolarHBondContact O-N 3.15Å; M691-H694 WeakPolarHBondContact O-CB 3.14Å; M691-H694 PolarHBondContact O-N 3.09Å; M691-H694 VanDerWaalsContact O-N 3.13Å; V692-H694 VanDerWaalsContact C-N 3.29Å; V692-H694 PolarHBondContact O-N 3.05Å; H694-A697 PolarHBondContact O-N 3.29Å; H694-Y698 PolarHBondContact O-N 2.76Å
695	Y	92.1	Very high	87.8	Confident	14 Å²	14	66 Å²	66	6%	0.055	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-49.4	171.9	-60.2	-29.6	0	0	0	111.1	Y643 F676 M691 V692 A697 Y698 L699 P709	Y643-Y695 HydrophobicContact CE1-CD2 4.36Å; Y643-Y695 HydrophobicContact CE2-CD2 4.34Å; Y643-Y695 AromaticContact CZ-CD2 3.96Å; F676-Y695 HydrophobicContact CE1-CE1 4.03Å; F676-Y695 HydrophobicContact CE1-CE2 4.41Å; F676-Y695 AromaticContact CE1-CZ 3.8Å; F676-Y695 HydrophobicContact CZ-CE2 4.42Å; M691-Y695 HydrophobicContact CB-CE2 4.34Å; M691-Y695 WeakPolarHBondContact CE-OH 3.45Å; M691-Y695 WeakPolarHBondContact O-CD2 3.14Å; M691-Y695 VanDerWaalsContact O-CG 3.29Å; M691-Y695 PolarHBondContact O-N 3.19Å; V692-Y695 PolarHBondContact O-N 3Å; Y695-A697 VanDerWaalsContact C-N 3.34Å; Y695-A697 PolarHBondContact O-N 2.86Å; Y695-Y698 PolarHBondContact O-N 2.98Å; Y695-L699 WeakPolarHBondContact O-CB 3.14Å; Y695-L699 VanDerWaalsContact O-CG 3.22Å; Y695-L699 WeakPolarHBondContact O-CG 3.4Å; Y695-L699 PolarHBondContact O-N 3.42Å; Y695-P709 HydrophobicContact CD1-CB 3.71Å; Y695-P709 HydrophobicContact CD1-CG 3.64Å; Y695-P709 HydrophobicContact CE1-CB 3.85Å; Y695-P709 HydrophobicContact CE1-CG 4.15Å
696	T	90.9	Very high	87.9	Confident	28 Å²	28	64.7 Å²	64.7	17%	0.172	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-44.7	-179.2	-56.4	0	0	0	0	111	L641 V692 E693 L699 S700	L641-T696 HydrophobicContact CD2-CG2 3.88Å; V692-T696 WeakPolarHBondContact O-CB 3.48Å; V692-T696 PolarHBondContact O-N 3.24Å; V692-T696 PolarHBondContact O-OG1 3.43Å; E693-T696 PolarHBondContact O-N 2.81Å; T696-L699 PolarHBondContact O-N 2.02Å; T696-S700 WeakPolarHBondContact O-CB 3.42Å; T696-S700 PolarHBondContact O-N 2.59Å; T696-S700 PolarHBondContact O-OG 3.42Å
697	A	89.8	Confident	88.1	Confident	35 Å²	35	63.3 Å²	63.3	29%	0.289	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-47.2	177.5	0	0	0	0	0	111.8	E693 H694 Y695 L699 S700 D701 I706	E693-A697 WeakPolarHBondContact O-CB 3.49Å; E693-A697 PolarHBondContact O-N 3.39Å; H694-A697 PolarHBondContact O-N 3.29Å; Y695-A697 VanDerWaalsContact C-N 3.34Å; Y695-A697 PolarHBondContact O-N 2.86Å; A697-L699 PolarHBondContact O-N 2.88Å; A697-S700 PolarHBondContact O-N 2.88Å; A697-S700 PolarHBondContact O-OG 3.37Å; A697-D701 VanDerWaalsContact O-CB 3.25Å; A697-D701 WeakPolarHBondContact O-CB 3.4Å; A697-D701 PolarHBondContact O-N 3.19Å; A697-I706 HydrophobicContact CB-CD1 3.86Å
698	Y	90.8	Very high	88.2	Confident	28 Å²	28	66.3 Å²	66.3	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-41.3	178.8	172.8	-103.5	0	0	0	113.1	H694 Y695 S700 I706 N708 P709 L711 R716	H694-Y698 PolarHBondContact O-N 2.76Å; Y695-Y698 PolarHBondContact O-N 2.98Å; Y698-S700 VanDerWaalsContact C-N 3.34Å; Y698-I706 HydrophobicContact CD2-CB 4.46Å; Y698-I706 HydrophobicContact CD2-CG2 4.3Å; Y698-N708 HydrophobicContact CE2-CB 3.89Å; Y698-P709 VanDerWaalsContact CD1-CD 3.47Å; Y698-P709 HydrophobicContact CD1-CG 4.03Å; Y698-P709 HydrophobicContact CG-CG 4.14Å; Y698-L711 HydrophobicContact CD1-CD1 3.94Å; Y698-L711 HydrophobicContact CE1-CD1 4.02Å; Y698-R716 HydrophobicContact CE1-CB 4.19Å; Y698-R716 PolarHBondContact O-NE 3.05Å
699	L	89.7	Confident	88.2	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-72.1	-28.2	-179.3	-67.3	171.8	0	0	0	112.9	L641 L671 Y695 T696 A697 L711 R716 V719	L641-L699 HydrophobicContact CD1-CB 3.64Å; L641-L699 HydrophobicContact CD1-CD1 4.44Å; L641-L699 HydrophobicContact CD2-CB 4.5Å; L671-L699 HydrophobicContact CD1-CD1 4.23Å; Y695-L699 WeakPolarHBondContact O-CB 3.14Å; Y695-L699 VanDerWaalsContact O-CG 3.22Å; Y695-L699 WeakPolarHBondContact O-CG 3.4Å; Y695-L699 PolarHBondContact O-N 3.42Å; T696-L699 PolarHBondContact O-N 2.02Å; A697-L699 PolarHBondContact O-N 2.88Å; L699-L711 HydrophobicContact CD2-CD1 3.95Å; L699-L711 HydrophobicContact CG-CD1 4.41Å; L699-R716 HydrophobicContact CD2-CB 4.41Å; L699-V719 HydrophobicContact CB-CG1 4.47Å; L699-V719 HydrophobicContact CD2-CB 4.27Å; L699-V719 HydrophobicContact CD2-CG1 4.4Å; L699-V719 HydrophobicContact CD2-CG2 4.03Å
700	S	85.3	Confident	88.1	Confident	53 Å²	53	61 Å²	61	37%	0.371	33%	0.325	S	S	.	.	H	α-helix	trans	-94	-15.1	178.6	59.7	0	0	0	0	114.2	T696 A697 Y698 N702	T696-S700 WeakPolarHBondContact O-CB 3.42Å; T696-S700 PolarHBondContact O-N 2.59Å; T696-S700 PolarHBondContact O-OG 3.42Å; A697-S700 PolarHBondContact O-N 2.88Å; A697-S700 PolarHBondContact O-OG 3.37Å; Y698-S700 VanDerWaalsContact C-N 3.34Å; S700-N702 PolarHBondContact O-N 2.89Å
701	D	83.9	Confident	88.1	Confident	21 Å²	21	51.2 Å²	51.2	11%	0.112	29%	0.288	C	S	.	.			trans	-67.8	120.8	179.8	175.3	32.4	0	0	0	111.1	A697 T703 R704 L705 I706 R716	A697-D701 VanDerWaalsContact O-CB 3.25Å; A697-D701 WeakPolarHBondContact O-CB 3.4Å; A697-D701 PolarHBondContact O-N 3.19Å; D701-T703 VanDerWaalsContact CG-OG1 3.26Å; D701-T703 WeakPolarHBondContact OD1-CA 3.43Å; D701-T703 VanDerWaalsContact OD1-CB 3.32Å; D701-T703 WeakPolarHBondContact OD1-CB 3.41Å; D701-T703 PolarHBondContact OD1-N 3.25Å; D701-T703 PolarHBondContact OD1-OG1 2.73Å; D701-T703 PolarHBondContact OD2-OG1 3.39Å; D701-R704 WeakPolarHBondContact OD2-CA 3.23Å; D701-R704 PolarHBondContact OD2-N 3.43Å; D701-L705 PolarHBondContact OD2-N 2.98Å; D701-I706 HydrophobicContact CB-CB 4.35Å; D701-I706 HydrophobicContact CB-CD1 3.71Å; D701-I706 HydrophobicContact CB-CG1 3.98Å; D701-I706 PolarHBondContact OD2-N 3.09Å; D701-R716 PolarHBondContact O-NE 3.34Å; D701-R716 PolarHBondContact O-NH2 2.64Å
702	N	76.5	Confident	88.1	Confident	67 Å²	67	51.2 Å²	51.2	36%	0.358	29%	0.287	S	S	.	.	S	Bend	trans	-88.5	-17.7	173.5	-70.6	-21.3	0	0	0	112.9	S700	S700-N702 PolarHBondContact O-N 2.89Å
703	T	79.5	Confident	87.7	Confident	89 Å²	89	57.6 Å²	57.6	55%	0.546	32%	0.315	S	S	.	.	S	Bend	trans	-77.6	-21.2	-175.4	71.2	0	0	0	0	113.2	D701 L705	D701-T703 VanDerWaalsContact CG-OG1 3.26Å; D701-T703 WeakPolarHBondContact OD1-CA 3.43Å; D701-T703 VanDerWaalsContact OD1-CB 3.32Å; D701-T703 WeakPolarHBondContact OD1-CB 3.41Å; D701-T703 PolarHBondContact OD1-N 3.25Å; D701-T703 PolarHBondContact OD1-OG1 2.73Å; D701-T703 PolarHBondContact OD2-OG1 3.39Å; T703-L705 PolarHBondContact O-N 2.92Å; T703-L705 WeakPolarHBondContact OG1-CB 2.98Å; T703-L705 WeakPolarHBondContact OG1-CG 3.06Å; T703-L705 PolarHBondContact OG1-N 2.81Å
704	R	79.4	Confident	87.4	Confident	96 Å²	96	53.7 Å²	53.7	36%	0.362	30%	0.298	S	S	.	.	S	Bend	trans	61.4	25	-175	-48.5	-176.9	178.2	-144.6	-2.5	113.1	N632 N634 D701	N632-R704 VanDerWaalsContact CA-NH2 3.31Å; N632-R704 PolarHBondContact OD1-NH1 3.42Å; N632-R704 PolarHBondContact OD1-NH2 2.61Å; N634-R704 PolarHBondContact OD1-NH2 3.29Å; D701-R704 WeakPolarHBondContact OD2-CA 3.23Å; D701-R704 PolarHBondContact OD2-N 3.43Å
705	L	83.4	Confident	87.3	Confident	150 Å²	150	49.9 Å²	49.9	79%	0.785	28%	0.28	S	S	*	.			trans	-90.6	-19.7	177.4	-63.2	175.6	0	0	0	111.6	D701 T703	D701-L705 PolarHBondContact OD2-N 2.98Å; T703-L705 PolarHBondContact O-N 2.92Å; T703-L705 WeakPolarHBondContact OG1-CB 2.98Å; T703-L705 WeakPolarHBondContact OG1-CG 3.06Å; T703-L705 PolarHBondContact OG1-N 2.81Å
706	I	85.4	Confident	87.2	Confident	57 Å²	57	49.9 Å²	49.9	29%	0.292	28%	0.28	S	S	.	.	S	Bend	trans	-75.8	129.9	177.5	-58.4	-171.7	0	0	0	110.1	A697 Y698 D701	A697-I706 HydrophobicContact CB-CD1 3.86Å; Y698-I706 HydrophobicContact CD2-CB 4.46Å; Y698-I706 HydrophobicContact CD2-CG2 4.3Å; D701-I706 HydrophobicContact CB-CB 4.35Å; D701-I706 HydrophobicContact CB-CD1 3.71Å; D701-I706 HydrophobicContact CB-CG1 3.98Å; D701-I706 PolarHBondContact OD2-N 3.09Å
707	A	89.3	Confident	87	Confident	72 Å²	72	48.9 Å²	48.9	60%	0.595	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-61.9	139.8	176.6	0	0	0	0	0	111.2	P709	A707-P709 WeakPolarHBondContact O-CD 3.38Å
708	N	90.6	Very high	87	Confident	73 Å²	73	48.3 Å²	48.3	39%	0.39	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-65.6	122.5	178.5	-179.7	-2.1	0	0	0	110.3	Y698 G710 L711	Y698-N708 HydrophobicContact CE2-CB 3.89Å; N708-G710 PolarHBondContact O-N 3.05Å; N708-G710 PolarHBondContact OD1-N 3.34Å; N708-L711 PolarHBondContact ND2-O 3.11Å; N708-L711 PolarHBondContact OD1-N 3.45Å; N708-L711 PolarHBondContact OD1-O 3.1Å
709	P	91.3	Very high	87	Confident	29 Å²	29	47 Å²	47	19%	0.188	26%	0.26	C	S	.	.			trans	-77.5	22.5	-176.4	34.4	-38.8	0	0	0	113.9	Y695 Y698 A707 L711	Y695-P709 HydrophobicContact CD1-CB 3.71Å; Y695-P709 HydrophobicContact CD1-CG 3.64Å; Y695-P709 HydrophobicContact CE1-CB 3.85Å; Y695-P709 HydrophobicContact CE1-CG 4.15Å; Y698-P709 VanDerWaalsContact CD1-CD 3.47Å; Y698-P709 HydrophobicContact CD1-CG 4.03Å; Y698-P709 HydrophobicContact CG-CG 4.14Å; A707-P709 WeakPolarHBondContact O-CD 3.38Å; P709-L711 HydrophobicContact CG-CD1 4.15Å; P709-L711 HydrophobicContact CG-CG 4.17Å
710	G	91.6	Very high	87	Confident	32 Å²	32	47.2 Å²	47.2	33%	0.33	26%	0.261	S	S	.	.	S	Bend	trans	99	11.4	-178.7	0	0	0	0	0	115.1	S677 N708	S677-G710 WeakPolarHBondContact CB-O 3.42Å; S677-G710 PolarHBondContact N-O 3Å; S677-G710 PolarHBondContact OG-O 3.11Å; N708-G710 PolarHBondContact O-N 3.05Å; N708-G710 PolarHBondContact OD1-N 3.34Å
711	L	93	Very high	87.1	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-78.3	151.9	176.6	-62.8	175.2	0	0	0	112	L671 F676 Y698 L699 N708 P709 V715	L671-L711 HydrophobicContact CD1-CD1 3.99Å; L671-L711 HydrophobicContact CD1-CD2 3.65Å; L671-L711 HydrophobicContact CD1-CG 4.5Å; F676-L711 HydrophobicContact CD1-CD2 3.65Å; F676-L711 HydrophobicContact CD2-CD2 4.46Å; F676-L711 HydrophobicContact CE1-CD2 3.45Å; F676-L711 VanDerWaalsContact CE1-CD2 3.45Å; F676-L711 HydrophobicContact CE2-CD2 4.3Å; F676-L711 HydrophobicContact CG-CD2 4.16Å; F676-L711 HydrophobicContact CZ-CD2 3.8Å; Y698-L711 HydrophobicContact CD1-CD1 3.94Å; Y698-L711 HydrophobicContact CE1-CD1 4.02Å; L699-L711 HydrophobicContact CD2-CD1 3.95Å; L699-L711 HydrophobicContact CG-CD1 4.41Å; N708-L711 PolarHBondContact ND2-O 3.11Å; N708-L711 PolarHBondContact OD1-N 3.45Å; N708-L711 PolarHBondContact OD1-O 3.1Å; P709-L711 HydrophobicContact CG-CD1 4.15Å; P709-L711 HydrophobicContact CG-CG 4.17Å; L711-V715 HydrophobicContact CD1-CG1 4.27Å
712	K	90.7	Very high	87.4	Confident	53 Å²	53	43.7 Å²	43.7	23%	0.23	24%	0.238	C	C	.	.			trans	-61.8	146.5	167.6	-69	178.1	178.9	172.6	0	109.8	G674 S675 F676 S714 V715	G674-K712 WeakPolarHBondContact O-CD 3.3Å; G674-K712 WeakPolarHBondContact O-CE 3.34Å; G674-K712 PolarHBondContact O-NZ 3.39Å; S675-K712 PolarHBondContact O-N 2.94Å; F676-K712 WeakPolarHBondContact O-CE 3.26Å; K712-S714 PolarHBondContact O-N 3.48Å; K712-S714 VanDerWaalsContact O-N 3.17Å; K712-V715 HydrophobicContact CB-CG2 4.01Å; K712-V715 WeakPolarHBondContact O-CB 3.46Å; K712-V715 PolarHBondContact O-N 2.81Å
713	F	84.1	Confident	88.1	Confident	135 Å²	135	40.8 Å²	40.8	59%	0.592	22%	0.223	S	C	*	.	H	α-helix	trans	-62.3	-27.4	-173	73.4	-88.4	0	0	0	114
714	S	85.2	Confident	88.5	Confident	12 Å²	12	39.1 Å²	39.1	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-73.1	-29.7	179.8	51.5	0	0	0	0	113.4	K712 R716 N717 E718 N751	K712-S714 PolarHBondContact O-N 3.48Å; K712-S714 VanDerWaalsContact O-N 3.17Å; S714-R716 VanDerWaalsContact C-N 3.34Å; S714-R716 PolarHBondContact O-N 2.92Å; S714-N717 PolarHBondContact O-N 2.85Å; S714-N717 VanDerWaalsContact O-N 3.11Å; S714-E718 PolarHBondContact O-N 3.27Å; S714-E718 VanDerWaalsContact O-N 3.13Å; S714-N751 PolarHBondContact OG-ND2 3.32Å
715	V	90.8	Very high	89	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-42.3	-169.6	170.3	0	0	0	0	112.1	L671 S675 L711 K712 N717 E718 V719 V753	L671-V715 HydrophobicContact CD1-CG1 4.31Å; L671-V715 HydrophobicContact CD2-CG1 3.75Å; S675-V715 WeakPolarHBondContact O-CG2 3.39Å; L711-V715 HydrophobicContact CD1-CG1 4.27Å; K712-V715 HydrophobicContact CB-CG2 4.01Å; K712-V715 WeakPolarHBondContact O-CB 3.46Å; K712-V715 PolarHBondContact O-N 2.81Å; V715-N717 PolarHBondContact O-N 2.99Å; V715-E718 PolarHBondContact O-N 2.84Å; V715-V719 HydrophobicContact CG1-CG2 4.21Å; V715-V719 VanDerWaalsContact O-CG2 3.31Å; V715-V719 WeakPolarHBondContact O-CG2 3.33Å; V715-V719 PolarHBondContact O-N 2.86Å; V715-V753 HydrophobicContact CG1-CG2 3.91Å
716	R	89.5	Confident	89.2	Confident	14 Å²	14	27.6 Å²	27.6	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-44.9	179	-179.9	166.7	167.9	-94.1	-7.1	111.8	Y698 L699 D701 S714 E718 V719 M720	Y698-R716 HydrophobicContact CE1-CB 4.19Å; Y698-R716 PolarHBondContact O-NE 3.05Å; L699-R716 HydrophobicContact CD2-CB 4.41Å; D701-R716 PolarHBondContact O-NE 3.34Å; D701-R716 PolarHBondContact O-NH2 2.64Å; S714-R716 VanDerWaalsContact C-N 3.34Å; S714-R716 PolarHBondContact O-N 2.92Å; R716-E718 VanDerWaalsContact C-N 3.3Å; R716-E718 PolarHBondContact O-N 3.17Å; R716-V719 PolarHBondContact O-N 3.16Å; R716-M720 HydrophobicContact CG-SD 4.29Å; R716-M720 VanDerWaalsContact O-CG 3.27Å; R716-M720 WeakPolarHBondContact O-CG 3.36Å; R716-M720 PolarHBondContact O-N 3.25Å; R716-M720 VanDerWaalsContact O-N 3.1Å
717	N	88	Confident	89.3	Confident	7 Å²	7	28 Å²	28	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-35.2	178.7	-65	-31.2	0	0	0	111.4	L630 N632 L633 S714 V715 M720 A721	L630-N717 HydrophobicContact CB-CB 3.99Å; L630-N717 PolarHBondContact O-ND2 3.17Å; N632-N717 PolarHBondContact N-ND2 3.37Å; L633-N717 WeakPolarHBondContact CD1-O 3.43Å; L633-N717 PolarHBondContact N-OD1 3.25Å; S714-N717 PolarHBondContact O-N 2.85Å; S714-N717 VanDerWaalsContact O-N 3.11Å; V715-N717 PolarHBondContact O-N 2.99Å; N717-M720 PolarHBondContact O-N 3.25Å; N717-A721 WeakPolarHBondContact O-CB 3.18Å; N717-A721 PolarHBondContact O-N 3.49Å
718	E	89.4	Confident	89.3	Confident	23 Å²	23	27.2 Å²	27.2	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-70.4	-41.5	177.3	-74	175.6	-159.6	0	0	113	L630 S714 V715 R716 M720 A721 T722 T749 N751 V753	L630-E718 HydrophobicContact CD1-CG 4.27Å; S714-E718 PolarHBondContact O-N 3.27Å; S714-E718 VanDerWaalsContact O-N 3.13Å; V715-E718 PolarHBondContact O-N 2.84Å; R716-E718 VanDerWaalsContact C-N 3.3Å; R716-E718 PolarHBondContact O-N 3.17Å; E718-M720 VanDerWaalsContact C-N 3.27Å; E718-M720 PolarHBondContact O-N 3.11Å; E718-A721 PolarHBondContact O-N 2.92Å; E718-T722 WeakPolarHBondContact O-CG2 3.31Å; E718-T722 PolarHBondContact O-N 2.95Å; E718-T722 PolarHBondContact O-OG1 2.65Å; E718-T749 HydrophobicContact CB-CG2 4.06Å; E718-T749 HydrophobicContact CG-CG2 4.26Å; E718-T749 WeakPolarHBondContact OE2-CB 3.4Å; E718-T749 PolarHBondContact OE2-OG1 2.93Å; E718-N751 PolarHBondContact OE1-ND2 3.18Å; E718-N751 WeakPolarHBondContact OE2-CB 3.36Å; E718-V753 HydrophobicContact CB-CG2 4Å
719	V	91.3	Very high	89.4	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-40.6	173.7	171	0	0	0	0	110.9	L641 V669 L671 L699 V715 R716 T722 S723 V753 R755	L641-V719 HydrophobicContact CD1-CG1 3.53Å; V669-V719 HydrophobicContact CG1-CG1 4.36Å; V669-V719 HydrophobicContact CG1-CG2 4.09Å; V669-V719 HydrophobicContact CG2-CG1 4.4Å; L671-V719 HydrophobicContact CD2-CG2 4.09Å; L699-V719 HydrophobicContact CB-CG1 4.47Å; L699-V719 HydrophobicContact CD2-CB 4.27Å; L699-V719 HydrophobicContact CD2-CG1 4.4Å; L699-V719 HydrophobicContact CD2-CG2 4.03Å; V715-V719 HydrophobicContact CG1-CG2 4.21Å; V715-V719 VanDerWaalsContact O-CG2 3.31Å; V715-V719 WeakPolarHBondContact O-CG2 3.33Å; V715-V719 PolarHBondContact O-N 2.86Å; R716-V719 PolarHBondContact O-N 3.16Å; V719-T722 PolarHBondContact O-OG1 2.99Å; V719-T722 VanDerWaalsContact O-OG1 3.09Å; V719-S723 PolarHBondContact O-N 3.33Å; V719-V753 HydrophobicContact CG2-CB 4.48Å; V719-V753 HydrophobicContact CG2-CG1 3.6Å; V719-V753 HydrophobicContact CG2-CG2 4Å; V719-R755 PolarHBondContact O-NH2 2.98Å
720	M	88.1	Confident	89.3	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-47	174.6	-67.8	175.4	76.2	0	0	111.7	L633 T635 R716 N717 E718 T722 S723	L633-M720 HydrophobicContact CB-CE 4.23Å; L633-M720 HydrophobicContact CB-SD 4.43Å; L633-M720 HydrophobicContact CD1-CB 4.36Å; L633-M720 WeakPolarHBondContact O-CE 3.33Å; T635-M720 WeakPolarHBondContact O-CE 3.33Å; R716-M720 HydrophobicContact CG-SD 4.29Å; R716-M720 VanDerWaalsContact O-CG 3.27Å; R716-M720 WeakPolarHBondContact O-CG 3.36Å; R716-M720 PolarHBondContact O-N 3.25Å; R716-M720 VanDerWaalsContact O-N 3.1Å; N717-M720 PolarHBondContact O-N 3.25Å; E718-M720 VanDerWaalsContact C-N 3.27Å; E718-M720 PolarHBondContact O-N 3.11Å; M720-T722 VanDerWaalsContact C-N 3.34Å; M720-T722 PolarHBondContact O-N 3.11Å; M720-S723 WeakPolarHBondContact O-CB 3.5Å; M720-S723 PolarHBondContact O-N 3.43Å; M720-S723 VanDerWaalsContact O-N 3.09Å; M720-S723 PolarHBondContact O-OG 2.77Å
721	A	88.3	Confident	89.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-43.5	179.8	0	0	0	0	0	112.2	M79 F83 L86 L630 L633 N717 E718 S723 H724	M79-A721 WeakPolarHBondContact CE-O 3.27Å; F83-A721 HydrophobicContact CE1-CB 4.18Å; F83-A721 HydrophobicContact CZ-CB 4.16Å; L86-A721 HydrophobicContact CD1-CB 3.76Å; L630-A721 HydrophobicContact CD1-CB 3.77Å; L633-A721 HydrophobicContact CD1-CB 3.97Å; N717-A721 WeakPolarHBondContact O-CB 3.18Å; N717-A721 PolarHBondContact O-N 3.49Å; E718-A721 PolarHBondContact O-N 2.92Å; A721-S723 VanDerWaalsContact C-N 3.26Å; A721-S723 PolarHBondContact O-N 3.39Å; A721-H724 PolarHBondContact O-CD2 3.2Å
722	T	91.1	Very high	89.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-72.2	-16.1	178.2	58.4	0	0	0	0	113.4	E718 V719 M720 H724 V725 I747 T749 R755	E718-T722 WeakPolarHBondContact O-CG2 3.31Å; E718-T722 PolarHBondContact O-N 2.95Å; E718-T722 PolarHBondContact O-OG1 2.65Å; V719-T722 PolarHBondContact O-OG1 2.99Å; V719-T722 VanDerWaalsContact O-OG1 3.09Å; M720-T722 VanDerWaalsContact C-N 3.34Å; M720-T722 PolarHBondContact O-N 3.11Å; T722-H724 PolarHBondContact O-N 3.39Å; T722-V725 VanDerWaalsContact O-CG1 3.29Å; T722-V725 WeakPolarHBondContact O-CG1 3.25Å; T722-V725 PolarHBondContact O-N 3.26Å; T722-I747 HydrophobicContact CG2-CD1 4.08Å; T722-I747 HydrophobicContact CG2-CG1 4.28Å; T722-I747 HydrophobicContact CG2-CG2 4.12Å; T722-T749 HydrophobicContact CG2-CG2 3.96Å; T722-R755 WeakPolarHBondContact O-CD 3.32Å; T722-R755 PolarHBondContact O-NE 3.4Å; T722-R755 PolarHBondContact OG1-NE 2.91Å
723	S	90	Very high	88.9	Confident	6 Å²	6	27.6 Å²	27.6	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-28.3	-178.9	73.1	0	0	0	0	113.3	V719 M720 A721 V725 T726	V719-S723 PolarHBondContact O-N 3.33Å; M720-S723 WeakPolarHBondContact O-CB 3.5Å; M720-S723 PolarHBondContact O-N 3.43Å; M720-S723 VanDerWaalsContact O-N 3.09Å; M720-S723 PolarHBondContact O-OG 2.77Å; A721-S723 VanDerWaalsContact C-N 3.26Å; A721-S723 PolarHBondContact O-N 3.39Å; S723-V725 PolarHBondContact O-N 2.94Å; S723-V725 VanDerWaalsContact O-N 3.11Å; S723-T726 VanDerWaalsContact O-CB 3.29Å; S723-T726 WeakPolarHBondContact O-CB 2.98Å; S723-T726 PolarHBondContact O-N 3.25Å; S723-T726 VanDerWaalsContact O-N 3.08Å; S723-T726 PolarHBondContact O-OG1 3.17Å
724	H	87.9	Confident	89	Confident	54 Å²	54	29.5 Å²	29.5	25%	0.25	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.8	-178.5	-67.9	-72.3	0	0	0	114.6	I82 A721 T722 T726	I82-H724 HydrophobicContact CD1-CB 3.66Å; I82-H724 HydrophobicContact CG1-CB 4.48Å; I82-H724 HydrophobicContact CG2-CB 4.22Å; A721-H724 PolarHBondContact O-CD2 3.2Å; T722-H724 PolarHBondContact O-N 3.39Å; H724-T726 VanDerWaalsContact C-N 3.3Å
725	V	89.5	Confident	89.2	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.03	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.9	175.5	81.9	0	0	0	0	112.8	M79 T722 S723 D727 E728 W729 I747 M822	M79-V725 HydrophobicContact SD-CB 4.02Å; M79-V725 HydrophobicContact SD-CG2 4.4Å; T722-V725 VanDerWaalsContact O-CG1 3.29Å; T722-V725 WeakPolarHBondContact O-CG1 3.25Å; T722-V725 PolarHBondContact O-N 3.26Å; S723-V725 PolarHBondContact O-N 2.94Å; S723-V725 VanDerWaalsContact O-N 3.11Å; V725-D727 PolarHBondContact O-N 3.45Å; V725-E728 PolarHBondContact O-N 3.18Å; V725-W729 HydrophobicContact CG1-CD2 4Å; V725-W729 HydrophobicContact CG1-CE3 3.8Å; V725-W729 HydrophobicContact CG1-CH2 3.81Å; V725-W729 HydrophobicContact CG1-CZ2 4.02Å; V725-W729 HydrophobicContact CG1-CZ3 3.71Å; V725-W729 HydrophobicContact CG2-CD2 3.9Å; V725-W729 VanDerWaalsContact CG2-CE2 3.44Å; V725-W729 HydrophobicContact CG2-CG 4.25Å; V725-W729 HydrophobicContact CG2-CH2 4.39Å; V725-W729 HydrophobicContact CG2-CZ2 3.74Å; V725-W729 PolarHBondContact O-N 2.84Å; V725-W729 VanDerWaalsContact O-N 3.09Å; V725-I747 HydrophobicContact CG1-CG2 4.29Å; V725-M822 HydrophobicContact CG2-CE 3.69Å
726	T	88.9	Confident	89.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-50.3	-170	-56.7	0	0	0	0	112.1	S639 P667 S723 H724 E728 W729 M730	S639-T726 WeakPolarHBondContact OG-CG2 3.48Å; P667-T726 HydrophobicContact CG-CG2 3.53Å; S723-T726 VanDerWaalsContact O-CB 3.29Å; S723-T726 WeakPolarHBondContact O-CB 2.98Å; S723-T726 PolarHBondContact O-N 3.25Å; S723-T726 VanDerWaalsContact O-N 3.08Å; S723-T726 PolarHBondContact O-OG1 3.17Å; H724-T726 VanDerWaalsContact C-N 3.3Å; T726-E728 VanDerWaalsContact C-N 3.29Å; T726-E728 PolarHBondContact O-N 3.12Å; T726-W729 PolarHBondContact O-N 3.01Å; T726-M730 HydrophobicContact CG2-CE 4.19Å; T726-M730 HydrophobicContact CG2-CG 4.35Å; T726-M730 HydrophobicContact CG2-SD 3.91Å; T726-M730 WeakPolarHBondContact O-CG 3.27Å; T726-M730 PolarHBondContact O-N 3.45Å
727	D	87	Confident	89	Confident	65 Å²	65	40.4 Å²	40.4	35%	0.348	21%	0.213	S	C	.	.	H	α-helix	trans	-65.5	-36.4	-174.9	-55.1	-43.5	0	0	0	111.5	S638 V725 T731	S638-D727 WeakPolarHBondContact CB-OD2 3.27Å; S638-D727 PolarHBondContact OG-OD2 2.89Å; V725-D727 PolarHBondContact O-N 3.45Å; D727-T731 VanDerWaalsContact O-CB 3.22Å; D727-T731 WeakPolarHBondContact O-CB 3.35Å; D727-T731 PolarHBondContact O-N 3.31Å; D727-T731 PolarHBondContact O-OG1 2.95Å
728	E	88.4	Confident	89.1	Confident	55 Å²	55	41.1 Å²	41.1	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-52.5	175.1	-173.7	67.6	-136.5	0	0	110.7	V725 T726 M730 T731 Q732	V725-E728 PolarHBondContact O-N 3.18Å; T726-E728 VanDerWaalsContact C-N 3.29Å; T726-E728 PolarHBondContact O-N 3.12Å; E728-M730 PolarHBondContact O-N 3.22Å; E728-T731 PolarHBondContact O-N 3.48Å; E728-Q732 HydrophobicContact CG-CG 4.46Å; E728-Q732 WeakPolarHBondContact O-CB 3.44Å; E728-Q732 VanDerWaalsContact O-CG 3.3Å; E728-Q732 WeakPolarHBondContact O-CG 3.38Å; E728-Q732 PolarHBondContact O-N 3.09Å; E728-Q732 PolarHBondContact OE1-NE2 2.69Å
729	W	92.5	Very high	89	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-38.3	-178.1	-72.5	-12.7	0	0	0	113.5	L74 V725 T726 M733 R745 Y746 I747 R755 Y757 M822	L74-W729 PolarHBondContact O-NE1 2.99Å; V725-W729 HydrophobicContact CG1-CD2 4Å; V725-W729 HydrophobicContact CG1-CE3 3.8Å; V725-W729 HydrophobicContact CG1-CH2 3.81Å; V725-W729 HydrophobicContact CG1-CZ2 4.02Å; V725-W729 HydrophobicContact CG1-CZ3 3.71Å; V725-W729 HydrophobicContact CG2-CD2 3.9Å; V725-W729 VanDerWaalsContact CG2-CE2 3.44Å; V725-W729 HydrophobicContact CG2-CG 4.25Å; V725-W729 HydrophobicContact CG2-CH2 4.39Å; V725-W729 HydrophobicContact CG2-CZ2 3.74Å; V725-W729 PolarHBondContact O-N 2.84Å; V725-W729 VanDerWaalsContact O-N 3.09Å; T726-W729 PolarHBondContact O-N 3.01Å; W729-M733 WeakPolarHBondContact O-CB 3.47Å; W729-M733 PolarHBondContact O-N 3.18Å; W729-R745 HydrophobicContact CD2-CB 3.93Å; W729-R745 HydrophobicContact CE3-CB 4.27Å; W729-R745 HydrophobicContact CG-CB 4.39Å; W729-R745 HydrophobicContact CH2-CB 4.35Å; W729-R745 HydrophobicContact CZ2-CB 4Å; W729-R745 HydrophobicContact CZ3-CB 4.47Å; W729-Y746 VanDerWaalsContact CH2-C 3.48Å; W729-I747 HydrophobicContact CH2-CB 4.13Å; W729-I747 HydrophobicContact CH2-CG2 3.84Å; W729-R755 HydrophobicContact CZ3-CG 4.34Å; W729-Y757 HydrophobicContact CB-CD1 4.36Å; W729-Y757 HydrophobicContact CB-CG 4.48Å; W729-M822 HydrophobicContact CZ2-CE 3.89Å
730	M	90	Very high	88.9	Confident	50 Å²	50	43 Å²	43	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-43.7	175.6	-66.4	-173.5	-35.8	0	0	111.1	T726 E728 Q732 M733 E734 Y757	T726-M730 HydrophobicContact CG2-CE 4.19Å; T726-M730 HydrophobicContact CG2-CG 4.35Å; T726-M730 HydrophobicContact CG2-SD 3.91Å; T726-M730 WeakPolarHBondContact O-CG 3.27Å; T726-M730 PolarHBondContact O-N 3.45Å; E728-M730 PolarHBondContact O-N 3.22Å; M730-Q732 PolarHBondContact O-N 3.49Å; M730-M733 WeakPolarHBondContact O-CB 3.4Å; M730-M733 PolarHBondContact O-N 3.46Å; M730-E734 PolarHBondContact O-N 3.34Å; M730-Y757 HydrophobicContact CG-CE2 4.18Å
731	T	89.6	Confident	89	Confident	65 Å²	65	44.1 Å²	44.1	40%	0.399	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-43.1	177.4	-59.4	0	0	0	0	111.4	D727 E728 M733 E734 M735	D727-T731 VanDerWaalsContact O-CB 3.22Å; D727-T731 WeakPolarHBondContact O-CB 3.35Å; D727-T731 PolarHBondContact O-N 3.31Å; D727-T731 PolarHBondContact O-OG1 2.95Å; E728-T731 PolarHBondContact O-N 3.48Å; T731-M733 VanDerWaalsContact C-N 3.32Å; T731-M733 PolarHBondContact O-N 3.19Å; T731-E734 PolarHBondContact O-N 3.26Å; T731-M735 HydrophobicContact CG2-CE 3.34Å; T731-M735 HydrophobicContact CG2-SD 4.18Å; T731-M735 WeakPolarHBondContact O-CG 3.18Å; T731-M735 PolarHBondContact O-N 3.31Å; T731-M735 VanDerWaalsContact O-N 3.12Å
732	Q	90.3	Very high	89.3	Confident	32 Å²	32	44.5 Å²	44.5	15%	0.15	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-34.6	175.4	-67.4	-58.8	-19.8	0	0	112.1	E728 M730 E734 M735 S736 N739	E728-Q732 HydrophobicContact CG-CG 4.46Å; E728-Q732 WeakPolarHBondContact O-CB 3.44Å; E728-Q732 VanDerWaalsContact O-CG 3.3Å; E728-Q732 WeakPolarHBondContact O-CG 3.38Å; E728-Q732 PolarHBondContact O-N 3.09Å; E728-Q732 PolarHBondContact OE1-NE2 2.69Å; M730-Q732 PolarHBondContact O-N 3.49Å; Q732-E734 VanDerWaalsContact C-N 3.26Å; Q732-E734 PolarHBondContact O-N 3.38Å; Q732-M735 PolarHBondContact O-N 3.41Å; Q732-S736 WeakPolarHBondContact O-CB 3.45Å; Q732-S736 PolarHBondContact O-N 2.81Å; Q732-N739 PolarHBondContact O-ND2 2.83Å
733	M	87.4	Confident	89.3	Confident	48 Å²	48	44.6 Å²	44.6	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-31.5	177	-171.3	63.9	-172.5	0	0	113.4	W729 M730 T731 N739 Y757	W729-M733 WeakPolarHBondContact O-CB 3.47Å; W729-M733 PolarHBondContact O-N 3.18Å; M730-M733 WeakPolarHBondContact O-CB 3.4Å; M730-M733 PolarHBondContact O-N 3.46Å; T731-M733 VanDerWaalsContact C-N 3.32Å; T731-M733 PolarHBondContact O-N 3.19Å; M733-N739 VanDerWaalsContact CA-ND2 3.27Å; M733-N739 WeakPolarHBondContact CA-ND2 3.15Å; M733-N739 HydrophobicContact CE-CB 4.45Å; M733-N739 PolarHBondContact O-ND2 3.02Å; M733-N739 HydrophobicContact SD-CB 3.98Å; M733-Y757 HydrophobicContact CB-CE1 3.73Å; M733-Y757 HydrophobicContact CG-CE1 3.76Å; M733-Y757 WeakPolarHBondContact CG-OH 3.37Å; M733-Y757 HydrophobicContact SD-CE1 4.13Å
734	E	86	Confident	89.5	Confident	176 Å²	176	44.6 Å²	44.6	82%	0.822	24%	0.235	S	C	*	.	H	α-helix	trans	-85.7	-36.8	178.1	-66.8	-176.5	173.8	0	0	112.5	M730 T731 Q732	M730-E734 PolarHBondContact O-N 3.34Å; T731-E734 PolarHBondContact O-N 3.26Å; Q732-E734 VanDerWaalsContact C-N 3.26Å; Q732-E734 PolarHBondContact O-N 3.38Å
735	M	88.9	Confident	89.8	Confident	133 Å²	133	42.1 Å²	42.1	66%	0.655	22%	0.223	S	C	*	.	H	α-helix	trans	-95.6	-29.1	-170.9	-61.9	-166.6	-50.2	0	0	114.6	T731 Q732	T731-M735 HydrophobicContact CG2-CE 3.34Å; T731-M735 HydrophobicContact CG2-SD 4.18Å; T731-M735 WeakPolarHBondContact O-CG 3.18Å; T731-M735 PolarHBondContact O-N 3.31Å; T731-M735 VanDerWaalsContact O-N 3.12Å; Q732-M735 PolarHBondContact O-N 3.41Å
736	S	90.1	Very high	90.1	Very high	21 Å²	21	42.4 Å²	42.4	15%	0.147	22%	0.224	C	C	.	.			trans	-77.2	133.8	-173.4	177.2	0	0	0	0	112.5	E73 Q732 L738 N739	E73-S736 VanDerWaalsContact OE1-CB 3.29Å; E73-S736 WeakPolarHBondContact OE1-CB 3.26Å; E73-S736 PolarHBondContact OE1-OG 3.02Å; E73-S736 PolarHBondContact OE2-OG 3.29Å; Q732-S736 WeakPolarHBondContact O-CB 3.45Å; Q732-S736 PolarHBondContact O-N 2.81Å; S736-L738 PolarHBondContact O-N 2.86Å; S736-L738 WeakPolarHBondContact OG-CB 3.46Å; S736-L738 PolarHBondContact OG-N 3.02Å; S736-N739 WeakPolarHBondContact CB-ND2 3.41Å; S736-N739 PolarHBondContact O-ND2 3.4Å
737	S	87.1	Confident	90.4	Very high	101 Å²	101	42.4 Å²	42.4	71%	0.706	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-71.1	-14	169.3	59.6	0	0	0	0	113	T740	S737-T740 PolarHBondContact O-OG1 3.09Å
738	L	89.4	Confident	90.8	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.11	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-84.2	-9.3	-178.8	-63.5	179.8	0	0	0	113.4	L69 E73 S736 T740 Y741 I742 Y830	L69-L738 HydrophobicContact CD2-CD1 3.41Å; L69-L738 VanDerWaalsContact CD2-CD1 3.41Å; E73-L738 HydrophobicContact CG-CD1 3.93Å; S736-L738 PolarHBondContact O-N 2.86Å; S736-L738 WeakPolarHBondContact OG-CB 3.46Å; S736-L738 PolarHBondContact OG-N 3.02Å; L738-T740 PolarHBondContact O-N 3.26Å; L738-Y741 HydrophobicContact CD2-CD2 4.25Å; L738-Y741 PolarHBondContact O-N 2.75Å; L738-I742 HydrophobicContact CB-CD1 3.9Å; L738-I742 WeakPolarHBondContact O-CG1 3.22Å; L738-I742 PolarHBondContact O-N 3.29Å; L738-Y830 HydrophobicContact CD2-CE2 3.95Å
739	N	87.1	Confident	91	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.08	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-59.6	-21.6	178.8	-68.2	-48.1	0	0	0	113.6	Q732 M733 S736 Y741 R745 L1051	Q732-N739 PolarHBondContact O-ND2 2.83Å; M733-N739 VanDerWaalsContact CA-ND2 3.27Å; M733-N739 WeakPolarHBondContact CA-ND2 3.15Å; M733-N739 HydrophobicContact CE-CB 4.45Å; M733-N739 PolarHBondContact O-ND2 3.02Å; M733-N739 HydrophobicContact SD-CB 3.98Å; S736-N739 WeakPolarHBondContact CB-ND2 3.41Å; S736-N739 PolarHBondContact O-ND2 3.4Å; N739-Y741 PolarHBondContact O-N 3.11Å; N739-R745 PolarHBondContact OD1-NH1 3.5Å; N739-R745 PolarHBondContact OD1-NH2 3.46Å; N739-L1051 WeakPolarHBondContact O-CD1 3.36Å
740	T	89	Confident	90.7	Very high	49 Å²	49	37.4 Å²	37.4	30%	0.301	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-71.4	-6.8	172.9	55.3	0	0	0	0	113.8	S737 L738 V1050 L1051	S737-T740 PolarHBondContact O-OG1 3.09Å; L738-T740 PolarHBondContact O-N 3.26Å; T740-V1050 CarbonylContact O-C 3.39Å; T740-V1050 WeakPolarHBondContact O-CA 3.42Å; T740-L1051 VanDerWaalsContact O-CG 3.3Å; T740-L1051 WeakPolarHBondContact O-CG 3.31Å; T740-L1051 PolarHBondContact O-N 2.92Å
741	Y	91.5	Very high	90.6	Very high	29 Å²	29	36.3 Å²	36.3	11%	0.114	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-13.7	-179.8	-54.1	-82.3	0	0	0	113.1	L738 N739 F826 T827 Y830 K833 G1049 V1050	L738-Y741 HydrophobicContact CD2-CD2 4.25Å; L738-Y741 PolarHBondContact O-N 2.75Å; N739-Y741 PolarHBondContact O-N 3.11Å; Y741-F826 WeakPolarHBondContact O-CA 3.41Å; Y741-T827 PolarHBondContact O-N 3.08Å; Y741-T827 VanDerWaalsContact O-N 3.14Å; Y741-Y830 AromaticContact CD1-CD2 3.7Å; Y741-Y830 HydrophobicContact CD1-CD2 3.7Å; Y741-Y830 HydrophobicContact CD1-CG 4.39Å; Y741-Y830 HydrophobicContact CD2-CD2 4.06Å; Y741-Y830 HydrophobicContact CD2-CE2 4.18Å; Y741-Y830 HydrophobicContact CE1-CD2 4.4Å; Y741-Y830 AromaticContact CG-CD2 3.53Å; Y741-Y830 HydrophobicContact CG-CD2 3.53Å; Y741-Y830 HydrophobicContact CG-CE2 4.09Å; Y741-Y830 HydrophobicContact CG-CG 4.29Å; Y741-K833 HydrophobicContact CE1-CD 4.28Å; Y741-G1049 VanDerWaalsContact CD1-C 3.46Å; Y741-G1049 WeakPolarHBondContact CD1-O 3.3Å; Y741-V1050 HydrophobicContact CE1-CG2 4Å
742	I	93.4	Very high	90.6	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.046	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117	-173.9	-67.3	162.2	0	0	0	109.8	E73 L738 R745 I824 D825 F826 L1051	E73-I742 HydrophobicContact CB-CD1 4.35Å; E73-I742 HydrophobicContact CG-CD1 4.17Å; E73-I742 VanDerWaalsContact OE2-CD1 3.28Å; E73-I742 WeakPolarHBondContact OE2-CD1 3.3Å; L738-I742 HydrophobicContact CB-CD1 3.9Å; L738-I742 WeakPolarHBondContact O-CG1 3.22Å; L738-I742 PolarHBondContact O-N 3.29Å; I742-R745 VanDerWaalsContact CD1-NH2 3.29Å; I742-R745 HydrophobicContact CG2-CG 4.2Å; I742-I824 HydrophobicContact CD1-CD1 3.89Å; I742-I824 HydrophobicContact CG1-CD1 3.98Å; I742-I824 HydrophobicContact CG1-CG1 4.49Å; I742-I824 HydrophobicContact CG2-CD1 3.78Å; I742-I824 HydrophobicContact CG2-CG1 3.79Å; I742-D825 CarbonylContact C-O 3.36Å; I742-F826 HydrophobicContact CD1-CE1 3.95Å; I742-F826 HydrophobicContact CD1-CZ 4.3Å; I742-F826 HydrophobicContact CG1-CD1 3.75Å; I742-F826 HydrophobicContact CG1-CE1 3.29Å; I742-F826 HydrophobicContact CG1-CZ 3.89Å; I742-L1051 WeakPolarHBondContact O-CD1 3.41Å
743	V	92.2	Very high	90.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-55	-178.3	175.7	0	0	0	0	110.4	H657 F658 A796 V799 D825 T827 L1051	H657-V743 PolarHBondContact NE2-O 2.78Å; F658-V743 HydrophobicContact CE2-CG1 4.19Å; V743-A796 HydrophobicContact CB-CB 4.44Å; V743-A796 HydrophobicContact CG1-CB 3.55Å; V743-A796 HydrophobicContact CG2-CB 3.95Å; V743-V799 HydrophobicContact CG1-CG1 4.47Å; V743-V799 HydrophobicContact CG2-CG1 3.93Å; V743-D825 HydrophobicContact CB-CB 3.94Å; V743-D825 PolarHBondContact N-O 3.46Å; V743-T827 HydrophobicContact CG2-CG2 4.15Å; V743-L1051 HydrophobicContact CB-CD2 4.22Å; V743-L1051 HydrophobicContact CG2-CD2 3.45Å; V743-L1051 VanDerWaalsContact CG2-CD2 3.45Å
744	R	93.1	Very high	91.2	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.023	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153.4	-178.7	-65.7	-177.6	-176	91.4	7.7	111.3	H657 Q660 Y746 I756 Y757 D792 I824 D825	H657-R744 PolarHBondContact CD2-NH2 3.13Å; Q660-R744 VanDerWaalsContact OE1-CZ 3.25Å; R744-Y746 HydrophobicContact CB-CD1 4.47Å; R744-I756 HydrophobicContact CB-CD1 4.49Å; R744-I756 HydrophobicContact CB-CG1 4.38Å; R744-Y757 CarbonylContact C-O 3.57Å; R744-Y757 VanDerWaalsContact CA-O 3.3Å; R744-Y757 WeakPolarHBondContact CA-O 3.3Å; R744-D792 IonicContact CZ-OD2 3.2Å; R744-D792 VanDerWaalsContact NH1-CG 3.25Å; R744-D792 IonicContact NH1-OD1 3.86Å; R744-D792 PolarHBondContact NH1-OD1 3.35Å; R744-D792 IonicContact NH1-OD2 3.43Å; R744-D792 PolarHBondContact NH1-OD2 3.46Å; R744-I824 WeakPolarHBondContact O-CA 3.49Å; R744-D825 PolarHBondContact O-N 2.93Å
745	R	94.9	Very high	91.7	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.3	169.9	-61.8	177.4	179.9	86.5	-6.6	109	E73 W729 N739 I742 I756 Y757 I824	E73-R745 WeakPolarHBondContact O-CD 3.07Å; E73-R745 PolarHBondContact O-NE 2.58Å; E73-R745 IonicContact OE2-CZ 3.71Å; E73-R745 IonicContact OE2-NH2 3.76Å; E73-R745 PolarHBondContact OE2-NH2 2.82Å; W729-R745 HydrophobicContact CD2-CB 3.93Å; W729-R745 HydrophobicContact CE3-CB 4.27Å; W729-R745 HydrophobicContact CG-CB 4.39Å; W729-R745 HydrophobicContact CH2-CB 4.35Å; W729-R745 HydrophobicContact CZ2-CB 4Å; W729-R745 HydrophobicContact CZ3-CB 4.47Å; N739-R745 PolarHBondContact OD1-NH1 3.5Å; N739-R745 PolarHBondContact OD1-NH2 3.46Å; I742-R745 VanDerWaalsContact CD1-NH2 3.29Å; I742-R745 HydrophobicContact CG2-CG 4.2Å; R745-I756 CarbonylContact O-C 3.42Å; R745-I756 WeakPolarHBondContact O-CA 3.41Å; R745-Y757 PolarHBondContact N-O 3.01Å; R745-Y757 PolarHBondContact O-N 3.37Å; R745-I824 HydrophobicContact CG-CD1 3.87Å; R745-I824 HydrophobicContact CG-CG1 3.99Å
746	Y	95.1	Very high	91.9	Very high	10 Å²	10	15.5 Å²	15.5	4%	0.039	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.5	179.5	45.1	-98.3	0	0	0	114	W729 R744 R755 W773 T801 M822 G823 D825	W729-Y746 VanDerWaalsContact CH2-C 3.48Å; R744-Y746 HydrophobicContact CB-CD1 4.47Å; Y746-R755 CarbonylContact C-O 3.44Å; Y746-R755 WeakPolarHBondContact CA-O 3.42Å; Y746-R755 WeakPolarHBondContact CB-O 3.5Å; Y746-W773 HydrophobicContact CD2-CD2 4.44Å; Y746-W773 HydrophobicContact CD2-CE3 4.45Å; Y746-W773 AromaticContact CD2-CH2 3.64Å; Y746-W773 HydrophobicContact CD2-CH2 3.64Å; Y746-W773 AromaticContact CD2-CZ2 3.63Å; Y746-W773 HydrophobicContact CD2-CZ2 3.63Å; Y746-W773 HydrophobicContact CD2-CZ3 4.06Å; Y746-W773 AromaticContact CE2-CD2 3.53Å; Y746-W773 HydrophobicContact CE2-CD2 3.53Å; Y746-W773 AromaticContact CE2-CE2 3.34Å; Y746-W773 AromaticContact CE2-CE3 3.78Å; Y746-W773 HydrophobicContact CE2-CE3 3.78Å; Y746-W773 HydrophobicContact CE2-CG 4.13Å; Y746-W773 AromaticContact CE2-CH2 3.71Å; Y746-W773 HydrophobicContact CE2-CH2 3.71Å; Y746-W773 AromaticContact CE2-CZ2 3.47Å; Y746-W773 HydrophobicContact CE2-CZ2 3.47Å; Y746-W773 VanDerWaalsContact CE2-CZ2 3.47Å; Y746-W773 AromaticContact CE2-CZ3 3.85Å; Y746-W773 HydrophobicContact CE2-CZ3 3.85Å; Y746-W773 AromaticContact CE2-NE1 3.76Å; Y746-W773 AromaticContact CZ-NE1 3.98Å; Y746-T801 WeakPolarHBondContact OH-CG2 3.49Å; Y746-T801 PolarHBondContact OH-OG1 3.23Å; Y746-M822 CarbonylContact O-C 3.41Å; Y746-M822 WeakPolarHBondContact O-CA 3.29Å; Y746-G823 PolarHBondContact N-O 2.69Å; Y746-G823 PolarHBondContact O-N 3.09Å; Y746-G823 VanDerWaalsContact O-O 3.13Å; Y746-D825 WeakPolarHBondContact CE1-OD2 3.45Å; Y746-D825 PolarHBondContact OH-OD1 2.97Å
747	I	96.2	Very high	92.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.9	172.9	-176.8	169.9	0	0	0	108.3	M79 F83 T722 V725 W729 L754 R755 A820 V821 M822	M79-I747 HydrophobicContact CG-CD1 3.94Å; M79-I747 HydrophobicContact SD-CD1 4.33Å; F83-I747 HydrophobicContact CE2-CD1 4.43Å; T722-I747 HydrophobicContact CG2-CD1 4.08Å; T722-I747 HydrophobicContact CG2-CG1 4.28Å; T722-I747 HydrophobicContact CG2-CG2 4.12Å; V725-I747 HydrophobicContact CG1-CG2 4.29Å; W729-I747 HydrophobicContact CH2-CB 4.13Å; W729-I747 HydrophobicContact CH2-CG2 3.84Å; I747-L754 WeakPolarHBondContact O-CA 3.34Å; I747-R755 HydrophobicContact CG2-CB 3.8Å; I747-R755 PolarHBondContact N-O 3.16Å; I747-R755 PolarHBondContact O-N 3.34Å; I747-A820 HydrophobicContact CD1-CB 4.06Å; I747-A820 HydrophobicContact CG1-CB 4.07Å; I747-V821 WeakPolarHBondContact CA-O 2.97Å; I747-M822 HydrophobicContact CB-CG 4.11Å; I747-M822 HydrophobicContact CD1-CE 4.45Å; I747-M822 HydrophobicContact CD1-CG 3.71Å; I747-M822 HydrophobicContact CD1-SD 4.21Å; I747-M822 HydrophobicContact CG1-CG 3.77Å
748	A	95.1	Very high	92.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.1	177.3	0	0	0	0	0	112.3	V753 L754 P768 W773 Y774 A820 V821	A748-V753 CarbonylContact C-O 3.53Å; A748-V753 WeakPolarHBondContact CA-O 3.04Å; A748-L754 HydrophobicContact CB-CD1 4.12Å; A748-P768 HydrophobicContact CB-CB 3.55Å; A748-P768 HydrophobicContact CB-CG 3.79Å; A748-W773 HydrophobicContact CB-CH2 3.65Å; A748-W773 HydrophobicContact CB-CZ2 4.4Å; A748-Y774 HydrophobicContact CB-CD2 4.18Å; A748-Y774 HydrophobicContact CB-CE2 4.18Å; A748-A820 CarbonylContact O-C 3.54Å; A748-A820 VanDerWaalsContact O-CA 3.29Å; A748-A820 WeakPolarHBondContact O-CA 3.37Å; A748-V821 PolarHBondContact N-O 2.62Å; A748-V821 PolarHBondContact O-N 3.39Å
749	T	91.6	Very high	92.5	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.049	C	C	.	.			trans	-104.9	159.6	173.5	71.1	0	0	0	0	111.5	E718 T722 N751 G752 V753 A820	E718-T749 HydrophobicContact CB-CG2 4.06Å; E718-T749 HydrophobicContact CG-CG2 4.26Å; E718-T749 WeakPolarHBondContact OE2-CB 3.4Å; E718-T749 PolarHBondContact OE2-OG1 2.93Å; T722-T749 HydrophobicContact CG2-CG2 3.96Å; T749-N751 PolarHBondContact O-N 2.8Å; T749-G752 PolarHBondContact O-N 2.78Å; T749-V753 HydrophobicContact CG2-CB 4.17Å; T749-V753 PolarHBondContact N-O 3.39Å; T749-V753 WeakPolarHBondContact OG1-CB 3.45Å; T749-V753 PolarHBondContact OG1-N 3.19Å; T749-A820 HydrophobicContact CG2-CB 4.44Å
750	P	86.2	Confident	92.7	Very high	16 Å²	16	8.7 Å²	8.7	10%	0.104	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.8	175	-26.8	34.6	0	0	0	114.1	Q514 G752 Y774 V819	Q514-P750 PolarHBondContact NE2-O 3.01Å; Q514-P750 PolarHBondContact OE1-O 3.19Å; P750-G752 PolarHBondContact O-N 3.02Å; P750-Y774 WeakPolarHBondContact CA-OH 3.05Å; P750-V819 WeakPolarHBondContact CD-O 3.37Å
751	N	87.7	Confident	92.8	Very high	26 Å²	26	6.6 Å²	6.6	14%	0.139	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	7.9	178.9	-70.5	-49.9	0	0	0	113.9	G674 S675 S714 E718 T749	G674-N751 CarbonylContact C-O 3.57Å; S675-N751 VanDerWaalsContact CA-O 3.31Å; S675-N751 WeakPolarHBondContact CA-O 3.41Å; S675-N751 PolarHBondContact N-O 3.05Å; S675-N751 PolarHBondContact OG-O 3.26Å; S714-N751 PolarHBondContact OG-ND2 3.32Å; E718-N751 PolarHBondContact OE1-ND2 3.18Å; E718-N751 WeakPolarHBondContact OE2-CB 3.36Å; T749-N751 PolarHBondContact O-N 2.8Å
752	G	90.8	Very high	92.7	Very high	1 Å²	1	6 Å²	6	1%	0.01	3%	0.031	C	C	.	.	S	Bend	trans	90.9	12.8	173	0	0	0	0	0	115.5	S672 T749 P750 L754	S672-G752 PolarHBondContact N-O 3.08Å; S672-G752 VanDerWaalsContact OG-CA 3.28Å; S672-G752 WeakPolarHBondContact OG-CA 3.48Å; T749-G752 PolarHBondContact O-N 2.78Å; P750-G752 PolarHBondContact O-N 3.02Å; G752-L754 PolarHBondContact O-N 3.45Å
753	V	94.5	Very high	92.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	122.1	170.7	-178.7	0	0	0	0	108.3	V669 L671 V715 E718 V719 A748 T749	V669-V753 HydrophobicContact CG1-CG1 4.26Å; L671-V753 HydrophobicContact CD2-CB 4.42Å; L671-V753 HydrophobicContact CD2-CG1 4.35Å; L671-V753 HydrophobicContact CD2-CG2 3.92Å; V715-V753 HydrophobicContact CG1-CG2 3.91Å; E718-V753 HydrophobicContact CB-CG2 4Å; V719-V753 HydrophobicContact CG2-CB 4.48Å; V719-V753 HydrophobicContact CG2-CG1 3.6Å; V719-V753 HydrophobicContact CG2-CG2 4Å; A748-V753 CarbonylContact C-O 3.53Å; A748-V753 WeakPolarHBondContact CA-O 3.04Å; T749-V753 HydrophobicContact CG2-CB 4.17Å; T749-V753 PolarHBondContact N-O 3.39Å; T749-V753 WeakPolarHBondContact OG1-CB 3.45Å; T749-V753 PolarHBondContact OG1-N 3.19Å
754	L	95.9	Very high	92.3	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.016	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.1	173.8	177.7	67.8	0	0	0	109.5	V669 M670 I747 A748 G752 F766 P768	V669-L754 CarbonylContact C-O 3.54Å; V669-L754 WeakPolarHBondContact CA-O 3.31Å; M670-L754 HydrophobicContact CB-CB 4.3Å; M670-L754 HydrophobicContact CB-CD2 4.41Å; M670-L754 PolarHBondContact N-O 3.09Å; M670-L754 PolarHBondContact O-N 2.86Å; M670-L754 HydrophobicContact SD-CB 4.42Å; M670-L754 HydrophobicContact SD-CD2 4.48Å; I747-L754 WeakPolarHBondContact O-CA 3.34Å; A748-L754 HydrophobicContact CB-CD1 4.12Å; G752-L754 PolarHBondContact O-N 3.45Å; L754-F766 HydrophobicContact CD2-CD1 3.91Å; L754-F766 HydrophobicContact CD2-CE1 3.59Å; L754-P768 HydrophobicContact CB-CG 4.23Å; L754-P768 HydrophobicContact CD1-CB 4.14Å
755	R	95.3	Very high	92	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.011	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.1	167.5	-177.7	179.8	-64.7	-85.1	2	109	P667 T668 V669 V719 T722 W729 Y746 I747	P667-R755 HydrophobicContact CB-CG 3.85Å; P667-R755 HydrophobicContact CG-CG 4.37Å; T668-R755 VanDerWaalsContact O-CA 3.31Å; T668-R755 WeakPolarHBondContact O-CA 3.05Å; V669-R755 VanDerWaalsContact CG2-NH2 3.3Å; V719-R755 PolarHBondContact O-NH2 2.98Å; T722-R755 WeakPolarHBondContact O-CD 3.32Å; T722-R755 PolarHBondContact O-NE 3.4Å; T722-R755 PolarHBondContact OG1-NE 2.91Å; W729-R755 HydrophobicContact CZ3-CG 4.34Å; Y746-R755 CarbonylContact C-O 3.44Å; Y746-R755 WeakPolarHBondContact CA-O 3.42Å; Y746-R755 WeakPolarHBondContact CB-O 3.5Å; I747-R755 HydrophobicContact CG2-CB 3.8Å; I747-R755 PolarHBondContact N-O 3.16Å; I747-R755 PolarHBondContact O-N 3.34Å
756	I	94.3	Very high	91.7	Very high	10 Å²	10	12 Å²	12	5%	0.051	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140	-173.3	-167.6	165.6	0	0	0	111.7	P667 T668 R744 R745 M762	P667-I756 CarbonylContact C-O 3.51Å; P667-I756 WeakPolarHBondContact CA-O 3.35Å; P667-I756 VanDerWaalsContact CB-O 3.26Å; P667-I756 WeakPolarHBondContact CB-O 3.15Å; T668-I756 PolarHBondContact N-O 3.11Å; T668-I756 PolarHBondContact O-N 3.36Å; T668-I756 VanDerWaalsContact OG1-CG2 3.25Å; T668-I756 WeakPolarHBondContact OG1-CG2 3.47Å; R744-I756 HydrophobicContact CB-CD1 4.49Å; R744-I756 HydrophobicContact CB-CG1 4.38Å; R745-I756 CarbonylContact O-C 3.42Å; R745-I756 WeakPolarHBondContact O-CA 3.41Å; I756-M762 HydrophobicContact CD1-CE 4.48Å; I756-M762 HydrophobicContact CD1-SD 4Å
757	Y	93.2	Very high	91.5	Very high	9 Å²	9	11.9 Å²	11.9	4%	0.035	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.8	177.1	-172.5	-100.4	0	0	0	111.6	L664 P667 W729 M730 M733 R744 R745	L664-Y757 PolarHBondContact O-OH 2.67Å; P667-Y757 HydrophobicContact CB-CD2 4.19Å; W729-Y757 HydrophobicContact CB-CD1 4.36Å; W729-Y757 HydrophobicContact CB-CG 4.48Å; M730-Y757 HydrophobicContact CG-CE2 4.18Å; M733-Y757 HydrophobicContact CB-CE1 3.73Å; M733-Y757 HydrophobicContact CG-CE1 3.76Å; M733-Y757 WeakPolarHBondContact CG-OH 3.37Å; M733-Y757 HydrophobicContact SD-CE1 4.13Å; R744-Y757 CarbonylContact C-O 3.57Å; R744-Y757 VanDerWaalsContact CA-O 3.3Å; R744-Y757 WeakPolarHBondContact CA-O 3.3Å; R745-Y757 PolarHBondContact N-O 3.01Å; R745-Y757 PolarHBondContact O-N 3.37Å
758	P	93	Very high	91.2	Very high	6 Å²	6	11.9 Å²	11.9	4%	0.039	6%	0.062	C	C	.	.	S	Bend	cis	-52.2	149.1	-9	-29.4	38	0	0	0	113.5	L664 S760	L664-P758 HydrophobicContact CD2-CB 3.92Å; L664-P758 HydrophobicContact CD2-CG 3.72Å; P758-S760 PolarHBondContact O-N 3.01Å; P758-S760 VanDerWaalsContact O-N 3.09Å; P758-S760 PolarHBondContact O-OG 2.93Å
759	G	92.7	Very high	90.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	115.9	-178.8	0	0	0	0	0	109.8	A662 T663 S666 T668	A662-G759 CarbonylContact C-O 3.2Å; A662-G759 WeakPolarHBondContact CA-O 3.3Å; A662-G759 VanDerWaalsContact CB-O 3.3Å; A662-G759 WeakPolarHBondContact CB-O 3.41Å; T663-G759 PolarHBondContact N-O 2.84Å; T663-G759 PolarHBondContact O-N 3.21Å; S666-G759 WeakPolarHBondContact O-CA 3.36Å; S666-G759 PolarHBondContact O-N 3.47Å; T668-G759 WeakPolarHBondContact OG1-CA 3.02Å
760	S	91.5	Very high	90.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.3	-169.1	-58.6	0	0	0	0	112.2	T668 P758	T668-S760 PolarHBondContact OG1-N 2.79Å; T668-S760 PolarHBondContact OG1-O 3.45Å; P758-S760 PolarHBondContact O-N 3.01Å; P758-S760 VanDerWaalsContact O-N 3.09Å; P758-S760 PolarHBondContact O-OG 2.93Å
761	L	91.2	Very high	90.5	Very high	5 Å²	5	15 Å²	15	3%	0.026	7%	0.073	C	C	.	.			trans	-77.7	118.3	170.2	176.6	66.5	0	0	0	110.7	H644 D647 L661 T1020	H644-L761 WeakPolarHBondContact O-CA 3.4Å; H644-L761 WeakPolarHBondContact O-CD1 3.43Å; D647-L761 HydrophobicContact CB-CD2 4.44Å; D647-L761 WeakPolarHBondContact OD1-CD1 3.49Å; L661-L761 HydrophobicContact CB-CB 4.13Å; L661-L761 HydrophobicContact CB-CD2 4.28Å; L661-L761 HydrophobicContact CD2-CD2 4.47Å; L661-L761 PolarHBondContact O-N 3.04Å; L761-T1020 HydrophobicContact CD2-CG2 3.81Å; L761-T1020 HydrophobicContact CG-CG2 4.18Å
762	M	89.7	Confident	90.4	Very high	18 Å²	18	17 Å²	17	9%	0.089	8%	0.082	C	C	.	.			trans	-109.7	152.2	179.8	-58	-70.7	88.1	0	0	112.1	H644 M670 I756	H644-M762 PolarHBondContact CE1-O 3.47Å; H644-M762 PolarHBondContact ND1-O 2.78Å; H644-M762 VanDerWaalsContact ND1-O 3.12Å; M670-M762 HydrophobicContact CB-CB 4.39Å; M670-M762 HydrophobicContact CB-CG 4.33Å; M670-M762 HydrophobicContact CG-CB 3.93Å; M670-M762 HydrophobicContact CG-CG 4.37Å; I756-M762 HydrophobicContact CD1-CE 4.48Å; I756-M762 HydrophobicContact CD1-SD 4Å
763	D	88.2	Confident	90.3	Very high	42 Å²	42	17.3 Å²	17.3	23%	0.225	8%	0.083	C	C	.	.			trans	-67.7	139.5	170.8	-177.9	-97.3	0	0	0	111.3	M670 A765 F766 T1020	M670-D763 WeakPolarHBondContact CE-O 3.38Å; D763-A765 VanDerWaalsContact C-N 3.28Å; D763-A765 PolarHBondContact O-N 3.31Å; D763-A765 WeakPolarHBondContact OD1-CA 3.41Å; D763-A765 VanDerWaalsContact OD1-CB 3.27Å; D763-A765 WeakPolarHBondContact OD1-CB 3.31Å; D763-A765 PolarHBondContact OD1-N 3.28Å; D763-F766 WeakPolarHBondContact O-CB 3.45Å; D763-F766 PolarHBondContact O-N 3.29Å; D763-T1020 PolarHBondContact N-OG1 2.79Å
764	K	87.6	Confident	90.1	Very high	44 Å²	44	17.5 Å²	17.5	19%	0.191	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.8	-175.9	71	178.5	-171	176	0	114	L683 Q685 F766	L683-K764 WeakPolarHBondContact O-CE 3.22Å; L683-K764 PolarHBondContact O-NZ 3.31Å; Q685-K764 PolarHBondContact O-NZ 2.76Å; K764-F766 VanDerWaalsContact C-N 3.31Å
765	A	87.9	Confident	89.6	Confident	18 Å²	18	19 Å²	19	15%	0.149	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-8	178.5	0	0	0	0	0	113	R538 Y540 L683 D763 D767	R538-A765 PolarHBondContact NH2-O 3.28Å; Y540-A765 HydrophobicContact CE1-CB 4.42Å; L683-A765 HydrophobicContact CD2-CB 3.99Å; D763-A765 VanDerWaalsContact C-N 3.28Å; D763-A765 PolarHBondContact O-N 3.31Å; D763-A765 WeakPolarHBondContact OD1-CA 3.41Å; D763-A765 VanDerWaalsContact OD1-CB 3.27Å; D763-A765 WeakPolarHBondContact OD1-CB 3.31Å; D763-A765 PolarHBondContact OD1-N 3.28Å; A765-D767 PolarHBondContact O-N 2.76Å
766	F	89.2	Confident	89.1	Confident	39 Å²	39	19.3 Å²	19.3	17%	0.171	9%	0.093	C	C	.	.			trans	-58.4	126.4	178.5	-174	-93.2	0	0	0	111.3	M670 S672 L754 D763 K764 P768 R771 V1017	M670-F766 HydrophobicContact CE-CB 4.07Å; M670-F766 WeakPolarHBondContact CE-O 3.41Å; M670-F766 HydrophobicContact SD-CD1 4.48Å; S672-F766 WeakPolarHBondContact CB-O 3.26Å; L754-F766 HydrophobicContact CD2-CD1 3.91Å; L754-F766 HydrophobicContact CD2-CE1 3.59Å; D763-F766 WeakPolarHBondContact O-CB 3.45Å; D763-F766 PolarHBondContact O-N 3.29Å; K764-F766 VanDerWaalsContact C-N 3.31Å; F766-P768 HydrophobicContact CE1-CB 4.12Å; F766-R771 HydrophobicContact CE2-CG 4.33Å; F766-R771 HydrophobicContact CZ-CG 3.92Å; F766-V1017 HydrophobicContact CD2-CG1 4.19Å; F766-V1017 HydrophobicContact CE2-CG1 4.38Å; F766-V1017 HydrophobicContact CE2-CG2 4.49Å
767	D	89.1	Confident	88.8	Confident	9 Å²	9	18.9 Å²	18.9	5%	0.048	9%	0.091	C	C	.	.			trans	-121.4	112.2	174.3	-167.3	-29.7	0	0	0	109.9	A765 T769 R770	A765-D767 PolarHBondContact O-N 2.76Å; D767-T769 PolarHBondContact O-N 2.89Å; D767-T769 WeakPolarHBondContact OD1-CB 3.21Å; D767-T769 PolarHBondContact OD1-N 3.28Å; D767-T769 PolarHBondContact OD1-OG1 3.22Å; D767-R770 HydrophobicContact CB-CB 4.47Å; D767-R770 HydrophobicContact CB-CG 4.22Å; D767-R770 PolarHBondContact O-N 3.17Å
768	P	90.3	Very high	88.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-64.5	-28	-179.9	28.7	-36.6	0	0	0	112.5	A748 L754 F766 R770 R771 W773 Y774	A748-P768 HydrophobicContact CB-CB 3.55Å; A748-P768 HydrophobicContact CB-CG 3.79Å; L754-P768 HydrophobicContact CB-CG 4.23Å; L754-P768 HydrophobicContact CD1-CB 4.14Å; F766-P768 HydrophobicContact CE1-CB 4.12Å; P768-R770 PolarHBondContact O-N 3.37Å; P768-R771 WeakPolarHBondContact O-CB 3.18Å; P768-R771 PolarHBondContact O-N 3.11Å; P768-W773 HydrophobicContact CB-CH2 4.39Å; P768-W773 HydrophobicContact CB-CZ2 3.98Å; P768-Y774 WeakPolarHBondContact O-CB 3.49Å
769	T	86.6	Confident	87.6	Confident	12 Å²	12	20.1 Å²	20.1	7%	0.074	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-72.5	-16.1	-174.8	70.8	0	0	0	0	113.4	D767 Y774	D767-T769 PolarHBondContact O-N 2.89Å; D767-T769 WeakPolarHBondContact OD1-CB 3.21Å; D767-T769 PolarHBondContact OD1-N 3.28Å; D767-T769 PolarHBondContact OD1-OG1 3.22Å; T769-Y774 HydrophobicContact CG2-CE1 4.28Å; T769-Y774 HydrophobicContact CG2-CE2 4.35Å; T769-Y774 WeakPolarHBondContact O-CD1 3.34Å
770	R	84.9	Confident	87	Confident	50 Å²	50	21.1 Å²	21.1	19%	0.189	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-100.1	2.2	178.9	-60	-67.5	-179.7	156.7	0.3	112.8	D767 P768	D767-R770 HydrophobicContact CB-CB 4.47Å; D767-R770 HydrophobicContact CB-CG 4.22Å; D767-R770 PolarHBondContact O-N 3.17Å; P768-R770 PolarHBondContact O-N 3.37Å
771	R	86.6	Confident	86.4	Confident	19 Å²	19	24 Å²	24	7%	0.072	13%	0.127	C	C	.	.	S	Bend	trans	-82.6	147.8	178.3	-56	-55.4	-62.6	163.1	-5.6	111.3	F766 P768 W773 Y774 L775 E1015	F766-R771 HydrophobicContact CE2-CG 4.33Å; F766-R771 HydrophobicContact CZ-CG 3.92Å; P768-R771 WeakPolarHBondContact O-CB 3.18Å; P768-R771 PolarHBondContact O-N 3.11Å; R771-W773 VanDerWaalsContact C-N 3.32Å; R771-W773 HydrophobicContact CB-CG 4.29Å; R771-W773 VanDerWaalsContact CB-NE1 3.35Å; R771-W773 PolarHBondContact O-N 3.45Å; R771-Y774 WeakPolarHBondContact O-CB 3.11Å; R771-Y774 PolarHBondContact O-N 3.23Å; R771-L775 WeakPolarHBondContact O-CG 3.49Å; R771-L775 PolarHBondContact O-N 2.79Å; R771-E1015 PolarHBondContact NH1-O 2.93Å; R771-E1015 VanDerWaalsContact NH1-O 3.11Å
772	Q	85.6	Confident	85.9	Confident	69 Å²	69	25.7 Å²	25.7	32%	0.322	15%	0.146	S	C	.	.	H	α-helix	trans	-55.1	-45.3	-179	-73.5	-178.8	-18.7	0	0	112.3	Y774 L775 H776 T787	Q772-Y774 VanDerWaalsContact C-N 3.26Å; Q772-Y774 PolarHBondContact O-N 2.73Å; Q772-L775 PolarHBondContact O-N 3Å; Q772-H776 VanDerWaalsContact O-CB 3.29Å; Q772-H776 WeakPolarHBondContact O-CB 3.47Å; Q772-H776 PolarHBondContact O-CD2 2.89Å; Q772-H776 VanDerWaalsContact O-CG 3.27Å; Q772-H776 PolarHBondContact O-N 3.33Å; Q772-T787 HydrophobicContact CB-CG2 3.82Å
773	W	90.1	Very high	85.9	Confident	7 Å²	7	26.9 Å²	26.9	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-38.3	177.9	66.7	-104.3	0	0	0	112.9	Y746 A748 P768 R771 A777 T787 T801 S803 V821	Y746-W773 HydrophobicContact CD2-CD2 4.44Å; Y746-W773 HydrophobicContact CD2-CE3 4.45Å; Y746-W773 AromaticContact CD2-CH2 3.64Å; Y746-W773 HydrophobicContact CD2-CH2 3.64Å; Y746-W773 AromaticContact CD2-CZ2 3.63Å; Y746-W773 HydrophobicContact CD2-CZ2 3.63Å; Y746-W773 HydrophobicContact CD2-CZ3 4.06Å; Y746-W773 AromaticContact CE2-CD2 3.53Å; Y746-W773 HydrophobicContact CE2-CD2 3.53Å; Y746-W773 AromaticContact CE2-CE2 3.34Å; Y746-W773 AromaticContact CE2-CE3 3.78Å; Y746-W773 HydrophobicContact CE2-CE3 3.78Å; Y746-W773 HydrophobicContact CE2-CG 4.13Å; Y746-W773 AromaticContact CE2-CH2 3.71Å; Y746-W773 HydrophobicContact CE2-CH2 3.71Å; Y746-W773 AromaticContact CE2-CZ2 3.47Å; Y746-W773 HydrophobicContact CE2-CZ2 3.47Å; Y746-W773 VanDerWaalsContact CE2-CZ2 3.47Å; Y746-W773 AromaticContact CE2-CZ3 3.85Å; Y746-W773 HydrophobicContact CE2-CZ3 3.85Å; Y746-W773 AromaticContact CE2-NE1 3.76Å; Y746-W773 AromaticContact CZ-NE1 3.98Å; A748-W773 HydrophobicContact CB-CH2 3.65Å; A748-W773 HydrophobicContact CB-CZ2 4.4Å; P768-W773 HydrophobicContact CB-CH2 4.39Å; P768-W773 HydrophobicContact CB-CZ2 3.98Å; R771-W773 VanDerWaalsContact C-N 3.32Å; R771-W773 HydrophobicContact CB-CG 4.29Å; R771-W773 VanDerWaalsContact CB-NE1 3.35Å; R771-W773 PolarHBondContact O-N 3.45Å; W773-A777 WeakPolarHBondContact O-CB 3.07Å; W773-A777 PolarHBondContact O-N 2.58Å; W773-A777 VanDerWaalsContact O-N 3.15Å; W773-T787 WeakPolarHBondContact CA-OG1 3.39Å; W773-T801 HydrophobicContact CB-CG2 3.58Å; W773-T801 HydrophobicContact CG-CG2 4.15Å; W773-S803 PolarHBondContact O-OG 2.72Å; W773-V821 HydrophobicContact CE3-CG1 3.97Å; W773-V821 HydrophobicContact CZ3-CB 3.97Å; W773-V821 HydrophobicContact CZ3-CG1 3.62Å
774	Y	89.6	Confident	86.1	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-71.6	-46	179	-173	-81.7	0	0	0	110.4	A748 P750 P768 T769 R771 Q772 A777 V778 V821	A748-Y774 HydrophobicContact CB-CD2 4.18Å; A748-Y774 HydrophobicContact CB-CE2 4.18Å; P750-Y774 WeakPolarHBondContact CA-OH 3.05Å; P768-Y774 WeakPolarHBondContact O-CB 3.49Å; T769-Y774 HydrophobicContact CG2-CE1 4.28Å; T769-Y774 HydrophobicContact CG2-CE2 4.35Å; T769-Y774 WeakPolarHBondContact O-CD1 3.34Å; R771-Y774 WeakPolarHBondContact O-CB 3.11Å; R771-Y774 PolarHBondContact O-N 3.23Å; Q772-Y774 VanDerWaalsContact C-N 3.26Å; Q772-Y774 PolarHBondContact O-N 2.73Å; Y774-A777 PolarHBondContact O-N 2.89Å; Y774-V778 HydrophobicContact CD1-CG2 4Å; Y774-V778 HydrophobicContact CE1-CG2 3.68Å; Y774-V778 VanDerWaalsContact O-CG2 3.32Å; Y774-V778 WeakPolarHBondContact O-CG2 3.44Å; Y774-V778 PolarHBondContact O-N 2.95Å; Y774-V821 HydrophobicContact CD2-CB 3.7Å; Y774-V821 HydrophobicContact CD2-CG1 4.34Å; Y774-V821 HydrophobicContact CD2-CG2 3.72Å; Y774-V821 HydrophobicContact CE1-CG2 4.47Å; Y774-V821 HydrophobicContact CE2-CB 3.75Å; Y774-V821 HydrophobicContact CE2-CG2 3.45Å; Y774-V821 VanDerWaalsContact CE2-CG2 3.45Å; Y774-V821 HydrophobicContact CG-CG2 4.33Å
775	L	85.3	Confident	86.3	Confident	36 Å²	36	23.3 Å²	23.3	19%	0.188	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-40.7	179.2	-65.1	174.9	0	0	0	112	R771 Q772 V778 A779	R771-L775 WeakPolarHBondContact O-CG 3.49Å; R771-L775 PolarHBondContact O-N 2.79Å; Q772-L775 PolarHBondContact O-N 3Å; L775-V778 PolarHBondContact O-N 3.36Å; L775-A779 VanDerWaalsContact O-CB 3.29Å; L775-A779 WeakPolarHBondContact O-CB 3.17Å; L775-A779 PolarHBondContact O-N 3.23Å
776	H	85.1	Confident	86.6	Confident	9 Å²	9	22.5 Å²	22.5	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-43.2	178	-75.2	-157.2	0	0	0	111.4	Q772 A779 N780 S785 E856	Q772-H776 VanDerWaalsContact O-CB 3.29Å; Q772-H776 WeakPolarHBondContact O-CB 3.47Å; Q772-H776 PolarHBondContact O-CD2 2.89Å; Q772-H776 VanDerWaalsContact O-CG 3.27Å; Q772-H776 PolarHBondContact O-N 3.33Å; H776-A779 PolarHBondContact O-N 3.42Å; H776-N780 PolarHBondContact O-N 3.06Å; H776-N780 VanDerWaalsContact O-N 3.16Å; H776-N780 PolarHBondContact O-ND2 2.74Å; H776-S785 PolarHBondContact O-OG 2.8Å; H776-E856 IonicContact CE1-OE1 3.99Å; H776-E856 IonicContact CE1-OE2 3.73Å; H776-E856 PolarHBondContact CE1-OE2 3.37Å; H776-E856 IonicContact ND1-OE2 2.65Å
777	A	87.9	Confident	86.7	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-46.5	175.2	0	0	0	0	0	112	W773 Y774 A779 N780 S785 T805 V821	W773-A777 WeakPolarHBondContact O-CB 3.07Å; W773-A777 PolarHBondContact O-N 2.58Å; W773-A777 VanDerWaalsContact O-N 3.15Å; Y774-A777 PolarHBondContact O-N 2.89Å; A777-A779 VanDerWaalsContact C-N 3.26Å; A777-A779 PolarHBondContact O-N 2.87Å; A777-N780 CarbonylContact O-C 3.58Å; A777-N780 PolarHBondContact O-N 3.04Å; A777-N780 VanDerWaalsContact O-N 3.09Å; A777-S785 WeakPolarHBondContact CA-OG 3.27Å; A777-T805 HydrophobicContact CB-CG2 4.02Å; A777-T805 WeakPolarHBondContact O-CG2 3.38Å; A777-V821 HydrophobicContact CB-CG1 3.45Å; A777-V821 VanDerWaalsContact CB-CG1 3.45Å
778	V	82.8	Confident	86.6	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.024	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-31.2	178.3	174.2	0	0	0	0	111.9	L517 K591 Y774 L775 N780 V821	L517-V778 HydrophobicContact CD1-CG1 4.21Å; K591-V778 HydrophobicContact CB-CG1 4.19Å; K591-V778 HydrophobicContact CD-CG1 3.74Å; K591-V778 HydrophobicContact CG-CG1 3.88Å; Y774-V778 HydrophobicContact CD1-CG2 4Å; Y774-V778 HydrophobicContact CE1-CG2 3.68Å; Y774-V778 VanDerWaalsContact O-CG2 3.32Å; Y774-V778 WeakPolarHBondContact O-CG2 3.44Å; Y774-V778 PolarHBondContact O-N 2.95Å; L775-V778 PolarHBondContact O-N 3.36Å; V778-N780 VanDerWaalsContact C-N 3.29Å; V778-V821 HydrophobicContact CG2-CG2 3.93Å
779	A	78.1	Confident	86.5	Confident	37 Å²	37	21 Å²	21	31%	0.306	12%	0.124	S	C	.	.	H	α-helix	trans	-72.7	-20.4	174.6	0	0	0	0	0	113.5	L775 H776 A777 P781	L775-A779 VanDerWaalsContact O-CB 3.29Å; L775-A779 WeakPolarHBondContact O-CB 3.17Å; L775-A779 PolarHBondContact O-N 3.23Å; H776-A779 PolarHBondContact O-N 3.42Å; A777-A779 VanDerWaalsContact C-N 3.26Å; A777-A779 PolarHBondContact O-N 2.87Å; A779-P781 VanDerWaalsContact C-CD 3.47Å
780	N	80	Confident	86.4	Confident	22 Å²	22	21.5 Å²	21.5	12%	0.118	13%	0.125	C	C	.	.	S	Bend	trans	-127	62.3	-178.3	-64.2	-75	0	0	0	110.8	H776 A777 V778 G782 L783	H776-N780 PolarHBondContact O-N 3.06Å; H776-N780 VanDerWaalsContact O-N 3.16Å; H776-N780 PolarHBondContact O-ND2 2.74Å; A777-N780 CarbonylContact O-C 3.58Å; A777-N780 PolarHBondContact O-N 3.04Å; A777-N780 VanDerWaalsContact O-N 3.09Å; V778-N780 VanDerWaalsContact C-N 3.29Å; N780-G782 PolarHBondContact O-N 3.38Å; N780-L783 HydrophobicContact CB-CB 4.23Å; N780-L783 HydrophobicContact CB-CD1 4.28Å; N780-L783 PolarHBondContact O-N 2.99Å; N780-L783 VanDerWaalsContact O-N 3.12Å
781	P	78.9	Confident	86.3	Confident	60 Å²	60	20.8 Å²	20.8	39%	0.39	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	130.5	-173.1	25.7	-34.3	0	0	0	111.7	A779 L783	A779-P781 VanDerWaalsContact C-CD 3.47Å; P781-L783 PolarHBondContact O-N 3.3Å
782	G	81.1	Confident	86.2	Confident	41 Å²	41	20.7 Å²	20.7	42%	0.423	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	0.8	-180	0	0	0	0	0	115.7	N780 T805	N780-G782 PolarHBondContact O-N 3.38Å; G782-T805 PolarHBondContact N-OG1 3.07Å
783	L	88.2	Confident	85.9	Confident	43 Å²	43	18.5 Å²	18.5	23%	0.225	12%	0.117	C	C	.	.	S	Bend	trans	-98.2	157.2	167.6	-59.5	179.7	0	0	0	110.2	N780 P781 S785 H804	N780-L783 HydrophobicContact CB-CB 4.23Å; N780-L783 HydrophobicContact CB-CD1 4.28Å; N780-L783 PolarHBondContact O-N 2.99Å; N780-L783 VanDerWaalsContact O-N 3.12Å; P781-L783 PolarHBondContact O-N 3.3Å; L783-S785 PolarHBondContact O-N 2.85Å; L783-H804 PolarHBondContact O-CD2 3.38Å
784	I	93.7	Very high	85.4	Confident	10 Å²	10	18.2 Å²	18.2	5%	0.051	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-79.1	116.4	167.6	-58	167.1	0	0	0	107.6	M66 R67 A70 L786 I802 G945 T946 N947	M66-I784 HydrophobicContact CB-CD1 4.16Å; R67-I784 HydrophobicContact CG-CD1 4.07Å; A70-I784 HydrophobicContact CB-CD1 3.94Å; A70-I784 HydrophobicContact CB-CG1 4.12Å; I784-L786 HydrophobicContact CG2-CD1 4.28Å; I784-I802 HydrophobicContact CG2-CG2 3.47Å; I784-I802 VanDerWaalsContact CG2-CG2 3.47Å; I784-G945 PolarHBondContact N-O 3.09Å; I784-T946 HydrophobicContact CB-CG2 4.14Å; I784-T946 WeakPolarHBondContact O-CA 3.43Å; I784-T946 WeakPolarHBondContact O-CB 3.41Å; I784-N947 PolarHBondContact O-N 2.83Å; I784-N947 PolarHBondContact O-OD1 3.18Å
785	S	92.4	Very high	85	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116	-177.9	-67.1	0	0	0	0	111.3	H776 A777 L783 I802 S803 N947	H776-S785 PolarHBondContact O-OG 2.8Å; A777-S785 WeakPolarHBondContact CA-OG 3.27Å; L783-S785 PolarHBondContact O-N 2.85Å; S785-I802 CarbonylContact O-C 3.58Å; S785-S803 WeakPolarHBondContact CB-OG 3.26Å; S785-S803 PolarHBondContact N-O 2.81Å; S785-S803 PolarHBondContact O-N 2.88Å; S785-S803 PolarHBondContact O-OG 3.12Å; S785-S803 VanDerWaalsContact O-OG 3.08Å; S785-N947 WeakPolarHBondContact CA-OD1 3.49Å
786	L	92.9	Very high	84.9	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.1	168.9	-73.4	76	0	0	0	108.5	M66 I784 I854 V862 T946 N947 A948	M66-L786 HydrophobicContact CE-CD2 4.41Å; I784-L786 HydrophobicContact CG2-CD1 4.28Å; L786-I854 HydrophobicContact CD2-CG2 4.37Å; L786-V862 HydrophobicContact CD2-CG1 4.32Å; L786-T946 HydrophobicContact CD1-CG2 4.41Å; L786-N947 PolarHBondContact N-OD1 2.96Å; L786-N947 PolarHBondContact O-ND2 3.42Å; L786-N947 VanDerWaalsContact O-ND2 3.09Å; L786-A948 HydrophobicContact CB-CB 4.43Å; L786-A948 HydrophobicContact CD1-CB 4.14Å; L786-A948 HydrophobicContact CD2-CB 3.95Å; L786-A948 HydrophobicContact CG-CB 4.4Å
787	T	90.8	Very high	84.8	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.3	172.9	-50.9	0	0	0	0	108.4	Q772 W773 V800 T801	Q772-T787 HydrophobicContact CB-CG2 3.82Å; W773-T787 WeakPolarHBondContact CA-OG1 3.39Å; T787-V800 WeakPolarHBondContact O-CG1 3.41Å; T787-T801 PolarHBondContact N-O 2.94Å
788	G	87.3	Confident	84.6	Confident	8 Å²	8	18 Å²	18	8%	0.082	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	164.5	175.1	0	0	0	0	0	114	Y790 E856	G788-Y790 PolarHBondContact O-N 3.42Å; G788-E856 PolarHBondContact N-OE2 3.12Å
789	P	87.9	Confident	85	Confident	8 Å²	8	17.9 Å²	17.9	5%	0.052	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.8	-172.8	26.5	-34.5	0	0	0	112.5	V799 V800 L828 L861 E877	P789-V799 VanDerWaalsContact CA-O 3.29Å; P789-V799 WeakPolarHBondContact CA-O 3.47Å; P789-V800 HydrophobicContact CB-CG2 4.15Å; P789-L828 HydrophobicContact CB-CD1 3.87Å; P789-L828 HydrophobicContact CG-CD1 4.36Å; P789-L861 WeakPolarHBondContact CD-O 3.5Å; P789-E877 WeakPolarHBondContact O-CA 3.36Å
790	Y	85.3	Confident	85.6	Confident	24 Å²	24	16.1 Å²	16.1	9%	0.094	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.6	171.6	63.8	-87.6	0	0	0	110.5	G788 V799 T801 D825	G788-Y790 PolarHBondContact O-N 3.42Å; Y790-V799 HydrophobicContact CD2-CG2 4.06Å; Y790-V799 HydrophobicContact CE1-CG2 4.17Å; Y790-V799 HydrophobicContact CE2-CG2 3.67Å; Y790-V799 HydrophobicContact CG-CG2 4.47Å; Y790-V799 PolarHBondContact N-O 2.92Å; Y790-V799 WeakPolarHBondContact O-CG2 3.13Å; Y790-V799 PolarHBondContact O-N 2.9Å; Y790-T801 VanDerWaalsContact CE1-OG1 3.22Å; Y790-T801 WeakPolarHBondContact CE1-OG1 3.47Å; Y790-T801 PolarHBondContact OH-OG1 3.32Å; Y790-D825 PolarHBondContact OH-OD1 3.16Å
791	L	82.8	Confident	86.3	Confident	35 Å²	35	15 Å²	15	18%	0.183	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.7	178.2	-76.4	172.1	0	0	0	111.4	V793 Y798 E877 P1087 Y1088	L791-V793 PolarHBondContact O-N 2.82Å; L791-Y798 HydrophobicContact CD1-CE1 4.35Å; L791-Y798 HydrophobicContact CD2-CD1 3.75Å; L791-Y798 HydrophobicContact CD2-CD2 3.74Å; L791-Y798 HydrophobicContact CD2-CE1 3.56Å; L791-Y798 HydrophobicContact CD2-CE2 3.57Å; L791-Y798 HydrophobicContact CD2-CG 3.85Å; L791-Y798 VanDerWaalsContact CD2-CZ 3.47Å; L791-Y798 HydrophobicContact CG-CD1 3.94Å; L791-Y798 HydrophobicContact CG-CE1 3.51Å; L791-Y798 HydrophobicContact CG-CE2 4.36Å; L791-E877 WeakPolarHBondContact CD1-OE1 3.29Å; L791-E877 WeakPolarHBondContact CG-OE1 3.31Å; L791-P1087 HydrophobicContact CD1-CB 4.15Å; L791-P1087 HydrophobicContact CD1-CG 4.14Å; L791-P1087 HydrophobicContact CD2-CG 3.75Å; L791-Y1088 HydrophobicContact CB-CE2 3.94Å; L791-Y1088 WeakPolarHBondContact CB-OH 3.02Å; L791-Y1088 HydrophobicContact CD2-CE2 3.9Å; L791-Y1088 HydrophobicContact CG-CE2 4.37Å; L791-Y1088 PolarHBondContact O-OH 2.99Å
792	D	85.1	Confident	87.1	Confident	16 Å²	16	12.2 Å²	12.2	9%	0.086	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.8	173.5	173.4	47.2	0	0	0	111.2	R744 G794 G795 A796 G797 V799 Y1088	R744-D792 IonicContact CZ-OD2 3.2Å; R744-D792 VanDerWaalsContact NH1-CG 3.25Å; R744-D792 IonicContact NH1-OD1 3.86Å; R744-D792 PolarHBondContact NH1-OD1 3.35Å; R744-D792 IonicContact NH1-OD2 3.43Å; R744-D792 PolarHBondContact NH1-OD2 3.46Å; D792-G794 VanDerWaalsContact CG-N 3.27Å; D792-G794 PolarHBondContact O-N 2.78Å; D792-G794 VanDerWaalsContact O-N 3.09Å; D792-G794 PolarHBondContact OD1-N 3.41Å; D792-G794 VanDerWaalsContact OD1-N 3.12Å; D792-G794 VanDerWaalsContact OD2-C 3.29Å; D792-G794 WeakPolarHBondContact OD2-CA 3.4Å; D792-G794 PolarHBondContact OD2-N 2.76Å; D792-G795 PolarHBondContact O-N 2.88Å; D792-G795 PolarHBondContact OD2-N 2.79Å; D792-A796 HydrophobicContact CB-CB 4.07Å; D792-A796 VanDerWaalsContact OD2-CB 3.26Å; D792-A796 WeakPolarHBondContact OD2-CB 3.48Å; D792-A796 PolarHBondContact OD2-N 3.25Å; D792-A796 VanDerWaalsContact OD2-N 3.09Å; D792-G797 WeakPolarHBondContact CB-O 3.22Å; D792-G797 PolarHBondContact N-O 2.75Å; D792-V799 HydrophobicContact CB-CG1 3.78Å; D792-V799 HydrophobicContact CB-CG2 4.03Å; D792-Y1088 PolarHBondContact N-OH 3.21Å; D792-Y1088 WeakPolarHBondContact O-CE2 3.27Å; D792-Y1088 PolarHBondContact O-OH 3.32Å
793	V	79.4	Confident	87.8	Confident	24 Å²	24	10.2 Å²	10.2	15%	0.145	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.1	176.6	179.2	0	0	0	0	112.1	L791 G795 V1017 Y1019 Y1088	L791-V793 PolarHBondContact O-N 2.82Å; V793-G795 PolarHBondContact O-N 2.91Å; V793-V1017 HydrophobicContact CB-CB 4.45Å; V793-V1017 HydrophobicContact CB-CG1 3.84Å; V793-V1017 HydrophobicContact CG1-CG1 4.02Å; V793-V1017 HydrophobicContact CG2-CB 3.54Å; V793-V1017 HydrophobicContact CG2-CG1 3.47Å; V793-V1017 VanDerWaalsContact CG2-CG1 3.47Å; V793-Y1019 HydrophobicContact CG1-CD2 4.33Å; V793-Y1019 VanDerWaalsContact O-CD2 3.32Å; V793-Y1019 WeakPolarHBondContact O-CD2 3.5Å; V793-Y1088 WeakPolarHBondContact CA-OH 3.33Å; V793-Y1088 PolarHBondContact N-OH 3.02Å
794	G	79.5	Confident	88.1	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.7	173.4	0	0	0	0	0	115.9	F658 K659 D792	F658-G794 WeakPolarHBondContact CB-O 3.37Å; K659-G794 PolarHBondContact N-O 2.83Å; D792-G794 VanDerWaalsContact CG-N 3.27Å; D792-G794 PolarHBondContact O-N 2.78Å; D792-G794 VanDerWaalsContact O-N 3.09Å; D792-G794 PolarHBondContact OD1-N 3.41Å; D792-G794 VanDerWaalsContact OD1-N 3.12Å; D792-G794 VanDerWaalsContact OD2-C 3.29Å; D792-G794 WeakPolarHBondContact OD2-CA 3.4Å; D792-G794 PolarHBondContact OD2-N 2.76Å
795	G	80.9	Confident	88	Confident	9 Å²	9	9 Å²	9	9%	0.093	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	11.4	176.3	0	0	0	0	0	114.4	D792 V793 G797	D792-G795 PolarHBondContact O-N 2.88Å; D792-G795 PolarHBondContact OD2-N 2.79Å; V793-G795 PolarHBondContact O-N 2.91Å; G795-G797 PolarHBondContact O-N 2.93Å
796	A	82.8	Confident	87.9	Confident	3 Å²	3	9 Å²	9	3%	0.025	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.6	175.3	0	0	0	0	0	114	F658 V743 D792 V799 Q1074	F658-A796 HydrophobicContact CD2-CB 3.89Å; F658-A796 HydrophobicContact CE1-CB 4.31Å; F658-A796 HydrophobicContact CE2-CB 3.66Å; F658-A796 HydrophobicContact CG-CB 4.32Å; F658-A796 HydrophobicContact CZ-CB 3.89Å; V743-A796 HydrophobicContact CB-CB 4.44Å; V743-A796 HydrophobicContact CG1-CB 3.55Å; V743-A796 HydrophobicContact CG2-CB 3.95Å; D792-A796 HydrophobicContact CB-CB 4.07Å; D792-A796 VanDerWaalsContact OD2-CB 3.26Å; D792-A796 WeakPolarHBondContact OD2-CB 3.48Å; D792-A796 PolarHBondContact OD2-N 3.25Å; D792-A796 VanDerWaalsContact OD2-N 3.09Å; A796-V799 HydrophobicContact CB-CG1 4.26Å; A796-Q1074 PolarHBondContact O-NE2 2.53Å
797	G	82.3	Confident	87.5	Confident	1 Å²	1	10.3 Å²	10.3	1%	0.01	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-144.1	-174.3	0	0	0	0	0	112.1	D792 G795	D792-G797 WeakPolarHBondContact CB-O 3.22Å; D792-G797 PolarHBondContact N-O 2.75Å; G795-G797 PolarHBondContact O-N 2.93Å
798	Y	85.3	Confident	86.9	Confident	33 Å²	33	10.6 Å²	10.6	13%	0.129	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127	178.7	-74.7	-81.2	0	0	0	111.5	L791 L828 L876 E877 P1087	L791-Y798 HydrophobicContact CD1-CE1 4.35Å; L791-Y798 HydrophobicContact CD2-CD1 3.75Å; L791-Y798 HydrophobicContact CD2-CD2 3.74Å; L791-Y798 HydrophobicContact CD2-CE1 3.56Å; L791-Y798 HydrophobicContact CD2-CE2 3.57Å; L791-Y798 HydrophobicContact CD2-CG 3.85Å; L791-Y798 VanDerWaalsContact CD2-CZ 3.47Å; L791-Y798 HydrophobicContact CG-CD1 3.94Å; L791-Y798 HydrophobicContact CG-CE1 3.51Å; L791-Y798 HydrophobicContact CG-CE2 4.36Å; Y798-L828 HydrophobicContact CG-CD2 4.38Å; Y798-L828 WeakPolarHBondContact O-CB 3.37Å; Y798-L828 PolarHBondContact O-N 2.83Å; Y798-L876 HydrophobicContact CD1-CB 3.91Å; Y798-L876 HydrophobicContact CD1-CD1 4.27Å; Y798-L876 HydrophobicContact CD1-CG 4.5Å; Y798-L876 HydrophobicContact CD2-CD1 3.49Å; Y798-L876 VanDerWaalsContact CD2-CD1 3.49Å; Y798-L876 HydrophobicContact CD2-CG 4.22Å; Y798-L876 HydrophobicContact CE1-CB 3.59Å; Y798-L876 HydrophobicContact CE1-CD1 4.34Å; Y798-L876 HydrophobicContact CE1-CG 4.15Å; Y798-L876 HydrophobicContact CE2-CB 4.23Å; Y798-L876 HydrophobicContact CE2-CD1 3.59Å; Y798-L876 HydrophobicContact CE2-CG 3.86Å; Y798-L876 HydrophobicContact CG-CB 4.35Å; Y798-L876 HydrophobicContact CG-CD1 3.85Å; Y798-L876 PolarHBondContact OH-N 3.32Å; Y798-E877 HydrophobicContact CD1-CG 4.46Å; Y798-E877 HydrophobicContact CE1-CG 3.83Å; Y798-E877 WeakPolarHBondContact CE1-OE2 3.47Å; Y798-E877 PolarHBondContact OH-OE2 3.05Å; Y798-E877 VanDerWaalsContact OH-OE2 3.1Å; Y798-P1087 HydrophobicContact CE2-CG 4.35Å
799	V	89.7	Confident	86.1	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.1	-179.2	-60.1	0	0	0	0	111.9	V743 P789 Y790 D792 A796 D825 F826	V743-V799 HydrophobicContact CG1-CG1 4.47Å; V743-V799 HydrophobicContact CG2-CG1 3.93Å; P789-V799 VanDerWaalsContact CA-O 3.29Å; P789-V799 WeakPolarHBondContact CA-O 3.47Å; Y790-V799 HydrophobicContact CD2-CG2 4.06Å; Y790-V799 HydrophobicContact CE1-CG2 4.17Å; Y790-V799 HydrophobicContact CE2-CG2 3.67Å; Y790-V799 HydrophobicContact CG-CG2 4.47Å; Y790-V799 PolarHBondContact N-O 2.92Å; Y790-V799 WeakPolarHBondContact O-CG2 3.13Å; Y790-V799 PolarHBondContact O-N 2.9Å; D792-V799 HydrophobicContact CB-CG1 3.78Å; D792-V799 HydrophobicContact CB-CG2 4.03Å; A796-V799 HydrophobicContact CB-CG1 4.26Å; V799-D825 HydrophobicContact CB-CB 4.4Å; V799-F826 VanDerWaalsContact CA-O 3.26Å; V799-F826 WeakPolarHBondContact CA-O 3.29Å; V799-F826 WeakPolarHBondContact CB-O 3.31Å
800	V	92.3	Very high	84.5	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.6	172.6	172	0	0	0	0	107.9	T787 P789 F826 L828 F831 V862	T787-V800 WeakPolarHBondContact O-CG1 3.41Å; P789-V800 HydrophobicContact CB-CG2 4.15Å; V800-F826 PolarHBondContact N-O 2.79Å; V800-F826 PolarHBondContact O-N 3.08Å; V800-L828 HydrophobicContact CG2-CD1 3.97Å; V800-F831 HydrophobicContact CB-CD2 3.62Å; V800-F831 HydrophobicContact CB-CE2 3.57Å; V800-F831 HydrophobicContact CG1-CD2 3.51Å; V800-F831 HydrophobicContact CG1-CE2 3.29Å; V800-F831 HydrophobicContact CG1-CG 4.4Å; V800-F831 HydrophobicContact CG1-CZ 4.09Å; V800-F831 HydrophobicContact CG2-CD2 4.16Å; V800-V862 HydrophobicContact CG1-CG1 3.56Å; V800-V862 HydrophobicContact CG2-CG1 4.21Å
801	T	94.1	Very high	82.7	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.2	-177.9	-53.6	0	0	0	0	111.9	Y746 W773 T787 Y790 I824 D825	Y746-T801 WeakPolarHBondContact OH-CG2 3.49Å; Y746-T801 PolarHBondContact OH-OG1 3.23Å; W773-T801 HydrophobicContact CB-CG2 3.58Å; W773-T801 HydrophobicContact CG-CG2 4.15Å; T787-T801 PolarHBondContact N-O 2.94Å; Y790-T801 VanDerWaalsContact CE1-OG1 3.22Å; Y790-T801 WeakPolarHBondContact CE1-OG1 3.47Å; Y790-T801 PolarHBondContact OH-OG1 3.32Å; T801-I824 WeakPolarHBondContact CA-O 3.27Å; T801-D825 WeakPolarHBondContact CB-OD1 3.15Å; T801-D825 PolarHBondContact OG1-OD1 3.31Å
802	I	95.5	Very high	80.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.2	159.5	-64.4	178.7	0	0	0	108.6	M66 L69 I784 S785 G823 I824 F826 F831	M66-I802 HydrophobicContact SD-CD1 4.02Å; L69-I802 HydrophobicContact CB-CD1 4.24Å; L69-I802 HydrophobicContact CD1-CD1 3.77Å; I784-I802 HydrophobicContact CG2-CG2 3.47Å; I784-I802 VanDerWaalsContact CG2-CG2 3.47Å; S785-I802 CarbonylContact O-C 3.58Å; I802-G823 CarbonylContact O-C 3.55Å; I802-G823 WeakPolarHBondContact O-CA 3.28Å; I802-I824 HydrophobicContact CB-CG2 3.83Å; I802-I824 HydrophobicContact CG2-CG2 4.44Å; I802-I824 PolarHBondContact N-O 3.37Å; I802-I824 PolarHBondContact O-N 3.36Å; I802-F826 HydrophobicContact CD1-CD2 4.46Å; I802-F826 HydrophobicContact CD1-CE2 3.96Å; I802-F826 HydrophobicContact CG1-CE2 4.41Å; I802-F831 HydrophobicContact CD1-CE1 3.93Å; I802-F831 HydrophobicContact CD1-CZ 3.65Å; I802-F831 HydrophobicContact CG1-CE1 4.33Å; I802-F831 HydrophobicContact CG1-CZ 3.75Å
803	S	96	Very high	78.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.7	179.3	55.8	0	0	0	0	112.7	W773 S785 M822	W773-S803 PolarHBondContact O-OG 2.72Å; S785-S803 WeakPolarHBondContact CB-OG 3.26Å; S785-S803 PolarHBondContact N-O 2.81Å; S785-S803 PolarHBondContact O-N 2.88Å; S785-S803 PolarHBondContact O-OG 3.12Å; S785-S803 VanDerWaalsContact O-OG 3.08Å; S803-M822 CarbonylContact C-O 3.54Å; S803-M822 WeakPolarHBondContact CA-O 3.05Å; S803-M822 WeakPolarHBondContact CB-O 3.35Å
804	H	94.3	Very high	76.7	Confident	28 Å²	28	36.3 Å²	36.3	13%	0.13	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142	-179.7	-165.7	-73.8	0	0	0	111.5	V76 L783 M822	V76-H804 HydrophobicContact CG1-CB 4.36Å; V76-H804 WeakPolarHBondContact CG1-ND1 3.38Å; V76-H804 HydrophobicContact CG2-CB 3.84Å; L783-H804 PolarHBondContact O-CD2 3.38Å; H804-M822 PolarHBondContact N-O 3.29Å; H804-M822 PolarHBondContact O-N 3.09Å
805	T	91.2	Very high	75.2	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.3	178	58.8	0	0	0	0	112.5	A777 G782 H807 T818 V821	A777-T805 HydrophobicContact CB-CG2 4.02Å; A777-T805 WeakPolarHBondContact O-CG2 3.38Å; G782-T805 PolarHBondContact N-OG1 3.07Å; T805-H807 PolarHBondContact OG1-CE1 3.08Å; T805-H807 PolarHBondContact OG1-NE2 2.83Å; T805-T818 HydrophobicContact CG2-CG2 3.98Å; T805-V821 HydrophobicContact CG2-CG2 4.36Å
806	I	90.4	Very high	74	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133	170.7	-56	-61.6	0	0	0	108.2	V76 M79 Q80 F83 T818 V819 A820 M822	V76-I806 HydrophobicContact CG1-CD1 3.91Å; M79-I806 HydrophobicContact CB-CD1 4.18Å; M79-I806 HydrophobicContact CG-CG1 4.48Å; Q80-I806 HydrophobicContact CB-CD1 4.44Å; F83-I806 HydrophobicContact CB-CG2 3.93Å; F83-I806 HydrophobicContact CD2-CG2 3.53Å; F83-I806 HydrophobicContact CE2-CG2 4.12Å; F83-I806 HydrophobicContact CG-CG2 3.82Å; I806-T818 CarbonylContact O-C 3.55Å; I806-T818 WeakPolarHBondContact O-CA 3.19Å; I806-V819 HydrophobicContact CB-CG2 4.4Å; I806-V819 HydrophobicContact CG2-CG2 4.01Å; I806-V819 WeakPolarHBondContact O-CG2 3.39Å; I806-V819 PolarHBondContact O-N 3.39Å; I806-A820 HydrophobicContact CB-CB 4.25Å; I806-A820 PolarHBondContact N-O 3.48Å; I806-A820 PolarHBondContact O-N 3.22Å; I806-M822 HydrophobicContact CD1-CG 4.28Å; I806-M822 HydrophobicContact CD1-SD 3.84Å; I806-M822 HydrophobicContact CG1-CG 3.93Å; I806-M822 HydrophobicContact CG1-SD 4.02Å
807	H	85.8	Confident	73.4	Confident	27 Å²	27	41.7 Å²	41.7	13%	0.125	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	161.7	-175.3	-49.7	97.1	0	0	0	111.9	Q80 T805 G816 H817	Q80-H807 PolarHBondContact NE2-O 2.89Å; T805-H807 PolarHBondContact OG1-CE1 3.08Å; T805-H807 PolarHBondContact OG1-NE2 2.83Å; H807-G816 PolarHBondContact CD2-O 3.15Å; H807-H817 WeakPolarHBondContact CA-O 3.49Å
808	S	77.6	Confident	73.3	Confident	7 Å²	7	42 Å²	42	5%	0.049	24%	0.241	C	C	.	.	S	Bend	trans	-78.2	-21.3	177.9	52	0	0	0	0	115.3	K628 H817	K628-S808 WeakPolarHBondContact CD-OG 3.19Å; S808-H817 PolarHBondContact N-O 2.82Å; S808-H817 VanDerWaalsContact N-O 3.1Å; S808-H817 PolarHBondContact OG-O 2.71Å
809	S	69.7	Low	73.3	Confident	35 Å²	35	41.3 Å²	41.3	25%	0.245	24%	0.239	C	C	.	.			trans	-152.2	141.3	177.8	58.6	0	0	0	0	112.1
810	S	53.9	Low	73.4	Confident	84 Å²	84	41.3 Å²	41.3	59%	0.587	24%	0.239	S	C	*	.			trans	-95.1	17.4	-172.5	83.2	0	0	0	0	116.1	Q812	S810-Q812 PolarHBondContact O-N 2.82Å
811	T	48.9	Very low	73.4	Confident	91 Å²	91	41.3 Å²	41.3	56%	0.558	24%	0.239	S	C	*	.			trans	-67.6	110.1	176.5	40.8	0	0	0	0	109.3	L813 S814	T811-L813 PolarHBondContact O-N 3.15Å; T811-S814 PolarHBondContact O-N 3.22Å
812	Q	43.2	Very low	73.5	Confident	202 Å²	202	41.3 Å²	41.3	94%	0.944	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	0.6	-172.8	-70.2	179.5	-19.6	0	0	116.1	S810	S810-Q812 PolarHBondContact O-N 2.82Å
813	L	36.9	Very low	73.6	Confident	175 Å²	175	41.3 Å²	41.3	92%	0.916	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-2.2	-174	-133	76.2	0	0	0	114.9	T811	T811-L813 PolarHBondContact O-N 3.15Å
814	S	40.3	Very low	73.6	Confident	68 Å²	68	41.3 Å²	41.3	48%	0.476	24%	0.239	S	C	.	.	S	Bend	trans	-139.3	123.3	172.6	58.8	0	0	0	0	108.2	T811 G816	T811-S814 PolarHBondContact O-N 3.22Å; S814-G816 VanDerWaalsContact C-N 3.33Å; S814-G816 PolarHBondContact O-N 2.78Å
815	S	48.2	Very low	73.6	Confident	76 Å²	76	40.3 Å²	40.3	53%	0.531	24%	0.235	S	C	.	.			trans	-53	96.1	169.6	38.7	0	0	0	0	109.4
816	G	56.3	Low	73.7	Confident	15 Å²	15	40.3 Å²	40.3	16%	0.155	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-59.9	150.8	179.6	0	0	0	0	0	110.6	H807 S814 T818	H807-G816 PolarHBondContact CD2-O 3.15Å; S814-G816 VanDerWaalsContact C-N 3.33Å; S814-G816 PolarHBondContact O-N 2.78Å; G816-T818 PolarHBondContact O-N 2.05Å
817	H	70	Confident	73.7	Confident	33 Å²	33	40.8 Å²	40.8	15%	0.153	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-57.9	126	175.9	-175.8	-65.3	0	0	0	110.7	H807 S808 V819	H807-H817 WeakPolarHBondContact CA-O 3.49Å; S808-H817 PolarHBondContact N-O 2.82Å; S808-H817 VanDerWaalsContact N-O 3.1Å; S808-H817 PolarHBondContact OG-O 2.71Å; H817-V819 PolarHBondContact O-N 2.8Å
818	T	79.5	Confident	73.8	Confident	9 Å²	9	40.1 Å²	40.1	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.1	174.9	-58.1	0	0	0	0	110.3	T805 I806 G816 A820 V821	T805-T818 HydrophobicContact CG2-CG2 3.98Å; I806-T818 CarbonylContact O-C 3.55Å; I806-T818 WeakPolarHBondContact O-CA 3.19Å; G816-T818 PolarHBondContact O-N 2.05Å; T818-A820 WeakPolarHBondContact CG2-O 3.43Å; T818-V821 HydrophobicContact CG2-CG2 4.19Å
819	V	85.8	Confident	74.2	Confident	17 Å²	17	41 Å²	41	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-23	-176.9	-66.8	0	0	0	0	113	F83 Y88 P750 I806 H817	F83-V819 HydrophobicContact CB-CG2 4.38Å; F83-V819 HydrophobicContact CD1-CB 4.19Å; F83-V819 HydrophobicContact CD1-CG2 3.41Å; F83-V819 VanDerWaalsContact CD1-CG2 3.41Å; F83-V819 HydrophobicContact CE1-CB 4.16Å; F83-V819 HydrophobicContact CE1-CG2 3.71Å; F83-V819 HydrophobicContact CG-CG2 3.93Å; F83-V819 HydrophobicContact CZ-CG2 4.43Å; Y88-V819 HydrophobicContact CE1-CG1 4.04Å; P750-V819 WeakPolarHBondContact CD-O 3.37Å; I806-V819 HydrophobicContact CB-CG2 4.4Å; I806-V819 HydrophobicContact CG2-CG2 4.01Å; I806-V819 WeakPolarHBondContact O-CG2 3.39Å; I806-V819 PolarHBondContact O-N 3.39Å; H817-V819 PolarHBondContact O-N 2.8Å
820	A	90.8	Very high	75.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	162.9	174	0	0	0	0	0	110.2	F83 I747 A748 T749 I806 T818	F83-A820 HydrophobicContact CE2-CB 4.31Å; F83-A820 HydrophobicContact CZ-CB 4.01Å; I747-A820 HydrophobicContact CD1-CB 4.06Å; I747-A820 HydrophobicContact CG1-CB 4.07Å; A748-A820 CarbonylContact O-C 3.54Å; A748-A820 VanDerWaalsContact O-CA 3.29Å; A748-A820 WeakPolarHBondContact O-CA 3.37Å; T749-A820 HydrophobicContact CG2-CB 4.44Å; I806-A820 HydrophobicContact CB-CB 4.25Å; I806-A820 PolarHBondContact N-O 3.48Å; I806-A820 PolarHBondContact O-N 3.22Å; T818-A820 WeakPolarHBondContact CG2-O 3.43Å
821	V	93.7	Very high	76.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.4	170.9	-175.4	0	0	0	0	108.1	I747 A748 W773 Y774 A777 V778 T805 T818	I747-V821 WeakPolarHBondContact CA-O 2.97Å; A748-V821 PolarHBondContact N-O 2.62Å; A748-V821 PolarHBondContact O-N 3.39Å; W773-V821 HydrophobicContact CE3-CG1 3.97Å; W773-V821 HydrophobicContact CZ3-CB 3.97Å; W773-V821 HydrophobicContact CZ3-CG1 3.62Å; Y774-V821 HydrophobicContact CD2-CB 3.7Å; Y774-V821 HydrophobicContact CD2-CG1 4.34Å; Y774-V821 HydrophobicContact CD2-CG2 3.72Å; Y774-V821 HydrophobicContact CE1-CG2 4.47Å; Y774-V821 HydrophobicContact CE2-CB 3.75Å; Y774-V821 HydrophobicContact CE2-CG2 3.45Å; Y774-V821 VanDerWaalsContact CE2-CG2 3.45Å; Y774-V821 HydrophobicContact CG-CG2 4.33Å; A777-V821 HydrophobicContact CB-CG1 3.45Å; A777-V821 VanDerWaalsContact CB-CG1 3.45Å; V778-V821 HydrophobicContact CG2-CG2 3.93Å; T805-V821 HydrophobicContact CG2-CG2 4.36Å; T818-V821 HydrophobicContact CG2-CG2 4.19Å
822	M	96.1	Very high	78.8	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.1	174.7	-61	-174.6	76.4	0	0	109.4	L74 V76 M79 V725 W729 Y746 I747 S803 H804 I806	L74-M822 HydrophobicContact CD1-CB 3.87Å; L74-M822 HydrophobicContact CD1-CE 4.21Å; L74-M822 HydrophobicContact CD2-CB 3.8Å; L74-M822 HydrophobicContact CG-CB 3.85Å; L74-M822 HydrophobicContact CG-CE 4.27Å; L74-M822 WeakPolarHBondContact O-CE 3.29Å; V76-M822 HydrophobicContact CG2-SD 4.32Å; M79-M822 HydrophobicContact CB-CE 4.23Å; M79-M822 HydrophobicContact CB-SD 3.52Å; M79-M822 VanDerWaalsContact CB-SD 3.52Å; M79-M822 HydrophobicContact CG-CE 4.4Å; M79-M822 HydrophobicContact CG-SD 3.77Å; V725-M822 HydrophobicContact CG2-CE 3.69Å; W729-M822 HydrophobicContact CZ2-CE 3.89Å; Y746-M822 CarbonylContact O-C 3.41Å; Y746-M822 WeakPolarHBondContact O-CA 3.29Å; I747-M822 HydrophobicContact CB-CG 4.11Å; I747-M822 HydrophobicContact CD1-CE 4.45Å; I747-M822 HydrophobicContact CD1-CG 3.71Å; I747-M822 HydrophobicContact CD1-SD 4.21Å; I747-M822 HydrophobicContact CG1-CG 3.77Å; S803-M822 CarbonylContact C-O 3.54Å; S803-M822 WeakPolarHBondContact CA-O 3.05Å; S803-M822 WeakPolarHBondContact CB-O 3.35Å; H804-M822 PolarHBondContact N-O 3.29Å; H804-M822 PolarHBondContact O-N 3.09Å; I806-M822 HydrophobicContact CD1-CG 4.28Å; I806-M822 HydrophobicContact CD1-SD 3.84Å; I806-M822 HydrophobicContact CG1-CG 3.93Å; I806-M822 HydrophobicContact CG1-SD 4.02Å
823	G	96.4	Very high	81	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.8	175.4	0	0	0	0	0	113.4	L74 Y746 I802	L74-G823 VanDerWaalsContact CD1-O 3.31Å; L74-G823 WeakPolarHBondContact CD1-O 3.42Å; Y746-G823 PolarHBondContact N-O 2.69Å; Y746-G823 PolarHBondContact O-N 3.09Å; Y746-G823 VanDerWaalsContact O-O 3.13Å; I802-G823 CarbonylContact O-C 3.55Å; I802-G823 WeakPolarHBondContact O-CA 3.28Å
824	I	95.9	Very high	83.5	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.4	179.3	-177.1	168.2	0	0	0	109.5	E73 L74 I742 R744 R745 T801 I802 F826	E73-I824 HydrophobicContact CB-CD1 3.92Å; L74-I824 HydrophobicContact CB-CG2 4.39Å; L74-I824 HydrophobicContact CD1-CB 4.1Å; L74-I824 HydrophobicContact CD1-CG2 4.38Å; L74-I824 HydrophobicContact CD2-CG2 4.32Å; I742-I824 HydrophobicContact CD1-CD1 3.89Å; I742-I824 HydrophobicContact CG1-CD1 3.98Å; I742-I824 HydrophobicContact CG1-CG1 4.49Å; I742-I824 HydrophobicContact CG2-CD1 3.78Å; I742-I824 HydrophobicContact CG2-CG1 3.79Å; R744-I824 WeakPolarHBondContact O-CA 3.49Å; R745-I824 HydrophobicContact CG-CD1 3.87Å; R745-I824 HydrophobicContact CG-CG1 3.99Å; T801-I824 WeakPolarHBondContact CA-O 3.27Å; I802-I824 HydrophobicContact CB-CG2 3.83Å; I802-I824 HydrophobicContact CG2-CG2 4.44Å; I802-I824 PolarHBondContact N-O 3.37Å; I802-I824 PolarHBondContact O-N 3.36Å; I824-F826 HydrophobicContact CB-CE2 4.38Å; I824-F826 HydrophobicContact CD1-CE2 4Å; I824-F826 HydrophobicContact CD1-CZ 3.84Å; I824-F826 HydrophobicContact CG1-CD2 4.42Å; I824-F826 HydrophobicContact CG1-CE2 3.89Å; I824-F826 HydrophobicContact CG1-CZ 4.2Å; I824-F826 HydrophobicContact CG2-CD2 4.45Å; I824-F826 HydrophobicContact CG2-CE2 3.7Å; I824-F826 HydrophobicContact CG2-CZ 4.48Å
825	D	95.3	Very high	85.9	Confident	7 Å²	7	14.2 Å²	14.2	4%	0.037	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.6	179	-72	-21.8	0	0	0	110.5	I742 V743 R744 Y746 Y790 V799 T801	I742-D825 CarbonylContact C-O 3.36Å; V743-D825 HydrophobicContact CB-CB 3.94Å; V743-D825 PolarHBondContact N-O 3.46Å; R744-D825 PolarHBondContact O-N 2.93Å; Y746-D825 WeakPolarHBondContact CE1-OD2 3.45Å; Y746-D825 PolarHBondContact OH-OD1 2.97Å; Y790-D825 PolarHBondContact OH-OD1 3.16Å; V799-D825 HydrophobicContact CB-CB 4.4Å; T801-D825 WeakPolarHBondContact CB-OD1 3.15Å; T801-D825 PolarHBondContact OG1-OD1 3.31Å
826	F	93.8	Very high	87.8	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.6	170.5	-66.8	-93.3	0	0	0	110.3	L69 Y741 I742 V799 V800 I802 I824 Y830 F831	L69-F826 HydrophobicContact CD1-CZ 4.22Å; L69-F826 HydrophobicContact CD2-CE1 4.48Å; L69-F826 HydrophobicContact CD2-CZ 4.07Å; Y741-F826 WeakPolarHBondContact O-CA 3.41Å; I742-F826 HydrophobicContact CD1-CE1 3.95Å; I742-F826 HydrophobicContact CD1-CZ 4.3Å; I742-F826 HydrophobicContact CG1-CD1 3.75Å; I742-F826 HydrophobicContact CG1-CE1 3.29Å; I742-F826 HydrophobicContact CG1-CZ 3.89Å; V799-F826 VanDerWaalsContact CA-O 3.26Å; V799-F826 WeakPolarHBondContact CA-O 3.29Å; V799-F826 WeakPolarHBondContact CB-O 3.31Å; V800-F826 PolarHBondContact N-O 2.79Å; V800-F826 PolarHBondContact O-N 3.08Å; I802-F826 HydrophobicContact CD1-CD2 4.46Å; I802-F826 HydrophobicContact CD1-CE2 3.96Å; I802-F826 HydrophobicContact CG1-CE2 4.41Å; I824-F826 HydrophobicContact CB-CE2 4.38Å; I824-F826 HydrophobicContact CD1-CE2 4Å; I824-F826 HydrophobicContact CD1-CZ 3.84Å; I824-F826 HydrophobicContact CG1-CD2 4.42Å; I824-F826 HydrophobicContact CG1-CE2 3.89Å; I824-F826 HydrophobicContact CG1-CZ 4.2Å; I824-F826 HydrophobicContact CG2-CD2 4.45Å; I824-F826 HydrophobicContact CG2-CE2 3.7Å; I824-F826 HydrophobicContact CG2-CZ 4.48Å; F826-Y830 HydrophobicContact CB-CD1 3.84Å; F826-Y830 HydrophobicContact CB-CG 4.41Å; F826-Y830 AromaticContact CD1-CD1 3.32Å; F826-Y830 HydrophobicContact CD1-CD1 3.32Å; F826-Y830 AromaticContact CD1-CE1 3.42Å; F826-Y830 HydrophobicContact CD1-CE1 3.42Å; F826-Y830 VanDerWaalsContact CD1-CE1 3.42Å; F826-Y830 AromaticContact CD1-CG 3.97Å; F826-Y830 HydrophobicContact CD1-CG 3.97Å; F826-Y830 AromaticContact CE1-CD1 3.97Å; F826-Y830 HydrophobicContact CE1-CD1 3.97Å; F826-Y830 AromaticContact CE1-CE1 3.53Å; F826-Y830 HydrophobicContact CE1-CE1 3.53Å; F826-Y830 AromaticContact CG-CD1 3.68Å; F826-Y830 HydrophobicContact CG-CD1 3.68Å; F826-Y830 HydrophobicContact CG-CE1 4Å; F826-Y830 HydrophobicContact CZ-CE1 4.21Å; F826-F831 HydrophobicContact CB-CD2 4.36Å; F826-F831 HydrophobicContact CB-CE2 3.71Å; F826-F831 HydrophobicContact CB-CZ 4.4Å; F826-F831 AromaticContact CD2-CE2 3.96Å; F826-F831 HydrophobicContact CD2-CE2 3.96Å; F826-F831 AromaticContact CD2-CZ 3.84Å; F826-F831 HydrophobicContact CD2-CZ 3.84Å; F826-F831 HydrophobicContact CE2-CZ 4.44Å; F826-F831 HydrophobicContact CG-CE2 4.06Å; F826-F831 HydrophobicContact CG-CZ 4.26Å
827	T	90.2	Very high	89.2	Confident	11 Å²	11	16 Å²	16	7%	0.067	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	143.3	167.9	63.9	0	0	0	0	110.4	Y741 V743 R829 Y830 G1049 L1051	Y741-T827 PolarHBondContact O-N 3.08Å; Y741-T827 VanDerWaalsContact O-N 3.14Å; V743-T827 HydrophobicContact CG2-CG2 4.15Å; T827-R829 PolarHBondContact O-N 2.95Å; T827-R829 VanDerWaalsContact O-N 3.17Å; T827-Y830 WeakPolarHBondContact O-CB 3.33Å; T827-Y830 PolarHBondContact O-N 3.35Å; T827-Y830 VanDerWaalsContact O-N 3.07Å; T827-G1049 WeakPolarHBondContact CB-O 3.28Å; T827-G1049 WeakPolarHBondContact CG2-O 3.11Å; T827-G1049 PolarHBondContact OG1-O 3.49Å; T827-L1051 HydrophobicContact CG2-CD2 3.65Å; T827-L1051 HydrophobicContact CG2-CG 4.35Å
828	L	86.8	Confident	90.1	Very high	13 Å²	13	16.8 Å²	16.8	7%	0.068	8%	0.084	C	C	.	.	H	α-helix	trans	-48.9	-45.5	179.2	173.4	58.7	0	0	0	113.2	P789 Y798 V800 Y830 L867 L876	P789-L828 HydrophobicContact CB-CD1 3.87Å; P789-L828 HydrophobicContact CG-CD1 4.36Å; Y798-L828 HydrophobicContact CG-CD2 4.38Å; Y798-L828 WeakPolarHBondContact O-CB 3.37Å; Y798-L828 PolarHBondContact O-N 2.83Å; V800-L828 HydrophobicContact CG2-CD1 3.97Å; L828-Y830 VanDerWaalsContact C-N 3.27Å; L828-Y830 PolarHBondContact O-N 3.12Å; L828-L867 HydrophobicContact CD1-CD1 4.49Å; L828-L867 HydrophobicContact CD2-CB 4.5Å; L828-L876 HydrophobicContact CD2-CD1 3.51Å
829	R	87.4	Confident	90.5	Very high	24 Å²	24	16.4 Å²	16.4	9%	0.091	8%	0.081	C	C	.	.	H	α-helix	trans	-69.2	-21.4	-175.7	-77.6	178.6	-178	151.4	5.4	114.1	T827 F831 Y832 K833 V868 F1048 E1054	T827-R829 PolarHBondContact O-N 2.95Å; T827-R829 VanDerWaalsContact O-N 3.17Å; R829-F831 PolarHBondContact O-N 3Å; R829-Y832 PolarHBondContact O-N 3.05Å; R829-K833 PolarHBondContact O-N 3.33Å; R829-V868 HydrophobicContact CG-CB 4.46Å; R829-V868 HydrophobicContact CG-CG1 3.75Å; R829-F1048 HydrophobicContact CB-CD1 4.06Å; R829-F1048 HydrophobicContact CB-CE1 3.68Å; R829-F1048 HydrophobicContact CB-CZ 3.94Å; R829-F1048 HydrophobicContact CG-CE1 4.02Å; R829-F1048 HydrophobicContact CG-CE2 4.06Å; R829-F1048 HydrophobicContact CG-CZ 3.72Å; R829-F1048 WeakPolarHBondContact O-CE1 3.31Å; R829-E1054 IonicContact CZ-OE1 2.84Å; R829-E1054 IonicContact CZ-OE2 3.12Å; R829-E1054 IonicContact NH1-OE1 3.59Å; R829-E1054 PolarHBondContact NH1-OE1 3.26Å; R829-E1054 VanDerWaalsContact NH1-OE1 3.12Å; R829-E1054 IonicContact NH1-OE2 2.69Å; R829-E1054 PolarHBondContact NH1-OE2 3.38Å; R829-E1054 IonicContact NH2-OE1 3.94Å; R829-E1054 IonicContact NH2-OE2 3.79Å; R829-E1054 PolarHBondContact NH2-OE2 3.05Å
830	Y	90.7	Very high	90.3	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.027	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-44.9	178.5	172.1	-107.7	0	0	0	111.9	L69 L738 Y741 F826 T827 L828 Y832 K833 V834	L69-Y830 HydrophobicContact CD1-CE1 4.18Å; L69-Y830 WeakPolarHBondContact CD2-OH 3.41Å; L738-Y830 HydrophobicContact CD2-CE2 3.95Å; Y741-Y830 AromaticContact CD1-CD2 3.7Å; Y741-Y830 HydrophobicContact CD1-CD2 3.7Å; Y741-Y830 HydrophobicContact CD1-CG 4.39Å; Y741-Y830 HydrophobicContact CD2-CD2 4.06Å; Y741-Y830 HydrophobicContact CD2-CE2 4.18Å; Y741-Y830 HydrophobicContact CE1-CD2 4.4Å; Y741-Y830 AromaticContact CG-CD2 3.53Å; Y741-Y830 HydrophobicContact CG-CD2 3.53Å; Y741-Y830 HydrophobicContact CG-CE2 4.09Å; Y741-Y830 HydrophobicContact CG-CG 4.29Å; F826-Y830 HydrophobicContact CB-CD1 3.84Å; F826-Y830 HydrophobicContact CB-CG 4.41Å; F826-Y830 AromaticContact CD1-CD1 3.32Å; F826-Y830 HydrophobicContact CD1-CD1 3.32Å; F826-Y830 AromaticContact CD1-CE1 3.42Å; F826-Y830 HydrophobicContact CD1-CE1 3.42Å; F826-Y830 VanDerWaalsContact CD1-CE1 3.42Å; F826-Y830 AromaticContact CD1-CG 3.97Å; F826-Y830 HydrophobicContact CD1-CG 3.97Å; F826-Y830 AromaticContact CE1-CD1 3.97Å; F826-Y830 HydrophobicContact CE1-CD1 3.97Å; F826-Y830 AromaticContact CE1-CE1 3.53Å; F826-Y830 HydrophobicContact CE1-CE1 3.53Å; F826-Y830 AromaticContact CG-CD1 3.68Å; F826-Y830 HydrophobicContact CG-CD1 3.68Å; F826-Y830 HydrophobicContact CG-CE1 4Å; F826-Y830 HydrophobicContact CZ-CE1 4.21Å; T827-Y830 WeakPolarHBondContact O-CB 3.33Å; T827-Y830 PolarHBondContact O-N 3.35Å; T827-Y830 VanDerWaalsContact O-N 3.07Å; L828-Y830 VanDerWaalsContact C-N 3.27Å; L828-Y830 PolarHBondContact O-N 3.12Å; Y830-Y832 VanDerWaalsContact C-N 3.31Å; Y830-Y832 PolarHBondContact O-N 3.38Å; Y830-K833 WeakPolarHBondContact O-CB 3.4Å; Y830-K833 PolarHBondContact O-N 3.24Å; Y830-K833 VanDerWaalsContact O-N 3.16Å; Y830-V834 HydrophobicContact CD1-CG2 4.23Å; Y830-V834 HydrophobicContact CD2-CG2 4.14Å; Y830-V834 HydrophobicContact CE1-CG2 3.78Å; Y830-V834 HydrophobicContact CE2-CG2 3.66Å; Y830-V834 HydrophobicContact CG-CG2 4.41Å; Y830-V834 VanDerWaalsContact CZ-CG2 3.47Å; Y830-V834 WeakPolarHBondContact O-CG2 3.43Å; Y830-V834 PolarHBondContact O-N 3.38Å
831	F	89.7	Confident	89.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.4	-30.9	-179.5	-75.4	-75.9	0	0	0	113.2	M66 V800 I802 F826 R829 L835 V862 A863	M66-F831 HydrophobicContact CE-CD1 4.05Å; M66-F831 HydrophobicContact CE-CE1 3.91Å; M66-F831 HydrophobicContact SD-CE1 4.12Å; V800-F831 HydrophobicContact CB-CD2 3.62Å; V800-F831 HydrophobicContact CB-CE2 3.57Å; V800-F831 HydrophobicContact CG1-CD2 3.51Å; V800-F831 HydrophobicContact CG1-CE2 3.29Å; V800-F831 HydrophobicContact CG1-CG 4.4Å; V800-F831 HydrophobicContact CG1-CZ 4.09Å; V800-F831 HydrophobicContact CG2-CD2 4.16Å; I802-F831 HydrophobicContact CD1-CE1 3.93Å; I802-F831 HydrophobicContact CD1-CZ 3.65Å; I802-F831 HydrophobicContact CG1-CE1 4.33Å; I802-F831 HydrophobicContact CG1-CZ 3.75Å; F826-F831 HydrophobicContact CB-CD2 4.36Å; F826-F831 HydrophobicContact CB-CE2 3.71Å; F826-F831 HydrophobicContact CB-CZ 4.4Å; F826-F831 AromaticContact CD2-CE2 3.96Å; F826-F831 HydrophobicContact CD2-CE2 3.96Å; F826-F831 AromaticContact CD2-CZ 3.84Å; F826-F831 HydrophobicContact CD2-CZ 3.84Å; F826-F831 HydrophobicContact CE2-CZ 4.44Å; F826-F831 HydrophobicContact CG-CE2 4.06Å; F826-F831 HydrophobicContact CG-CZ 4.26Å; R829-F831 PolarHBondContact O-N 3Å; F831-L835 WeakPolarHBondContact O-CB 3.43Å; F831-L835 PolarHBondContact O-N 3.35Å; F831-V862 HydrophobicContact CB-CG1 4.23Å; F831-V862 HydrophobicContact CD2-CG1 4.37Å; F831-V862 HydrophobicContact CG-CG1 4.15Å; F831-A863 HydrophobicContact CB-CB 4.16Å
832	Y	88.5	Confident	89.4	Confident	37 Å²	37	20.6 Å²	20.6	15%	0.145	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-40.6	171.6	-172.7	-104.7	0	0	0	111.7	R829 Y830 L835 M836 P865 V868 F1048	R829-Y832 PolarHBondContact O-N 3.05Å; Y830-Y832 VanDerWaalsContact C-N 3.31Å; Y830-Y832 PolarHBondContact O-N 3.38Å; Y832-L835 WeakPolarHBondContact O-CB 3.44Å; Y832-L835 PolarHBondContact O-N 3.48Å; Y832-M836 HydrophobicContact CD1-CG 4.35Å; Y832-M836 HydrophobicContact CD2-CE 4.23Å; Y832-M836 HydrophobicContact CE1-CE 4.26Å; Y832-M836 HydrophobicContact CE1-CG 4.08Å; Y832-M836 HydrophobicContact CE2-CE 3.4Å; Y832-M836 VanDerWaalsContact CE2-CE 3.4Å; Y832-M836 VanDerWaalsContact CZ-CE 3.46Å; Y832-M836 WeakPolarHBondContact O-CG 3.39Å; Y832-M836 PolarHBondContact O-N 3.35Å; Y832-M836 WeakPolarHBondContact OH-CE 3.2Å; Y832-P865 HydrophobicContact CE2-CB 4.27Å; Y832-P865 HydrophobicContact CE2-CG 3.89Å; Y832-V868 HydrophobicContact CD1-CG1 4.28Å; Y832-V868 HydrophobicContact CD1-CG2 3.83Å; Y832-V868 HydrophobicContact CE1-CG2 3.71Å; Y832-V868 HydrophobicContact CE2-CG2 4.46Å; Y832-V868 HydrophobicContact CG-CG1 4.21Å; Y832-V868 HydrophobicContact CG-CG2 4.22Å; Y832-F1048 AromaticContact CD1-CE1 3.69Å; Y832-F1048 HydrophobicContact CD1-CE1 3.69Å; Y832-F1048 AromaticContact CD1-CZ 3.62Å; Y832-F1048 HydrophobicContact CD1-CZ 3.62Å; Y832-F1048 HydrophobicContact CE1-CZ 4.26Å; Y832-F1048 HydrophobicContact CG-CE1 4.5Å
833	K	88.9	Confident	88.4	Confident	41 Å²	41	25.8 Å²	25.8	18%	0.178	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-49.1	172.2	-176.1	177.4	172.9	71.5	0	111.6	Y741 R829 Y830 L835 M836 D837 G1045 F1048	Y741-K833 HydrophobicContact CE1-CD 4.28Å; R829-K833 PolarHBondContact O-N 3.33Å; Y830-K833 WeakPolarHBondContact O-CB 3.4Å; Y830-K833 PolarHBondContact O-N 3.24Å; Y830-K833 VanDerWaalsContact O-N 3.16Å; K833-L835 VanDerWaalsContact C-N 3.26Å; K833-L835 PolarHBondContact O-N 2.73Å; K833-M836 PolarHBondContact O-N 3.01Å; K833-M836 VanDerWaalsContact O-N 3.12Å; K833-D837 WeakPolarHBondContact CE-OD2 3.4Å; K833-D837 WeakPolarHBondContact CG-OD2 3.2Å; K833-D837 IonicContact NZ-OD2 3.44Å; K833-D837 WeakPolarHBondContact O-CB 3.47Å; K833-D837 VanDerWaalsContact O-CG 3.3Å; K833-D837 PolarHBondContact O-N 3.27Å; K833-G1045 PolarHBondContact NZ-O 3.12Å; K833-F1048 HydrophobicContact CB-CD1 4.06Å; K833-F1048 HydrophobicContact CB-CE1 4.38Å
834	V	90	Very high	87	Confident	8 Å²	8	31.9 Å²	31.9	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-57.1	-42.2	177.2	170.1	0	0	0	0	111.1	L62 Q65 Y830 L838	L62-V834 HydrophobicContact CD2-CG1 4.35Å; Q65-V834 HydrophobicContact CG-CG1 4.13Å; Y830-V834 HydrophobicContact CD1-CG2 4.23Å; Y830-V834 HydrophobicContact CD2-CG2 4.14Å; Y830-V834 HydrophobicContact CE1-CG2 3.78Å; Y830-V834 HydrophobicContact CE2-CG2 3.66Å; Y830-V834 HydrophobicContact CG-CG2 4.41Å; Y830-V834 VanDerWaalsContact CZ-CG2 3.47Å; Y830-V834 WeakPolarHBondContact O-CG2 3.43Å; Y830-V834 PolarHBondContact O-N 3.38Å; V834-L838 HydrophobicContact CG1-CD1 3.63Å; V834-L838 HydrophobicContact CG1-CG 4.33Å; V834-L838 VanDerWaalsContact O-CB 3.26Å; V834-L838 WeakPolarHBondContact O-CB 3.24Å; V834-L838 VanDerWaalsContact O-CG 3.28Å; V834-L838 WeakPolarHBondContact O-CG 3.1Å; V834-L838 PolarHBondContact O-N 2.84Å
835	L	89.9	Confident	85.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-44.6	176.9	-177.1	64.4	0	0	0	111.8	L62 F831 Y832 K833 L839 C852 I854 A863 V950	L62-L835 HydrophobicContact CD1-CD1 4.43Å; F831-L835 WeakPolarHBondContact O-CB 3.43Å; F831-L835 PolarHBondContact O-N 3.35Å; Y832-L835 WeakPolarHBondContact O-CB 3.44Å; Y832-L835 PolarHBondContact O-N 3.48Å; K833-L835 VanDerWaalsContact C-N 3.26Å; K833-L835 PolarHBondContact O-N 2.73Å; L835-L839 HydrophobicContact CD1-CD1 4.24Å; L835-L839 HydrophobicContact CD1-CD2 4.11Å; L835-L839 WeakPolarHBondContact O-CB 3.2Å; L835-L839 PolarHBondContact O-N 2.96Å; L835-L839 VanDerWaalsContact O-N 3.12Å; L835-C852 HydrophobicContact CD1-CB 4.41Å; L835-C852 HydrophobicContact CD2-CB 3.86Å; L835-C852 HydrophobicContact CG-CB 4.17Å; L835-I854 HydrophobicContact CB-CD1 4.42Å; L835-I854 HydrophobicContact CD1-CD1 4.23Å; L835-I854 HydrophobicContact CD1-CG1 4.07Å; L835-I854 HydrophobicContact CD2-CG1 4.33Å; L835-A863 HydrophobicContact CD2-CB 4.23Å; L835-V950 HydrophobicContact CD1-CG2 4.2Å
836	M	87.3	Confident	83.4	Confident	27 Å²	27	38.4 Å²	38.4	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-72.6	-37.6	-179.2	-67.4	-59.8	154.4	0	0	113.5	Y832 K833 C842	Y832-M836 HydrophobicContact CD1-CG 4.35Å; Y832-M836 HydrophobicContact CD2-CE 4.23Å; Y832-M836 HydrophobicContact CE1-CE 4.26Å; Y832-M836 HydrophobicContact CE1-CG 4.08Å; Y832-M836 HydrophobicContact CE2-CE 3.4Å; Y832-M836 VanDerWaalsContact CE2-CE 3.4Å; Y832-M836 VanDerWaalsContact CZ-CE 3.46Å; Y832-M836 WeakPolarHBondContact O-CG 3.39Å; Y832-M836 PolarHBondContact O-N 3.35Å; Y832-M836 WeakPolarHBondContact OH-CE 3.2Å; K833-M836 PolarHBondContact O-N 3.01Å; K833-M836 VanDerWaalsContact O-N 3.12Å; M836-C842 HydrophobicContact CE-CB 3.94Å; M836-C842 HydrophobicContact SD-CB 3.52Å; M836-C842 VanDerWaalsContact SD-CB 3.52Å
837	D	87.5	Confident	81.6	Confident	103 Å²	103	39.3 Å²	39.3	55%	0.551	22%	0.224	S	C	*	.	H	α-helix	trans	-73	-35.1	-179.2	-70.8	-10	0	0	0	111.5	K833	K833-D837 WeakPolarHBondContact CE-OD2 3.4Å; K833-D837 WeakPolarHBondContact CG-OD2 3.2Å; K833-D837 IonicContact NZ-OD2 3.44Å; K833-D837 WeakPolarHBondContact O-CB 3.47Å; K833-D837 VanDerWaalsContact O-CG 3.3Å; K833-D837 PolarHBondContact O-N 3.27Å
838	L	88.4	Confident	80.2	Confident	49 Å²	49	45.8 Å²	45.8	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-89	-26.9	-176.9	-65.5	-179.5	0	0	0	114	V61 L62 Q65 V834 P840	V61-L838 HydrophobicContact CG1-CB 4.41Å; V61-L838 HydrophobicContact CG1-CD1 4.47Å; V61-L838 HydrophobicContact CG1-CD2 4.25Å; L62-L838 HydrophobicContact CD2-CD1 3.92Å; Q65-L838 HydrophobicContact CB-CD1 3.87Å; Q65-L838 HydrophobicContact CG-CD1 3.96Å; V834-L838 HydrophobicContact CG1-CD1 3.63Å; V834-L838 HydrophobicContact CG1-CG 4.33Å; V834-L838 VanDerWaalsContact O-CB 3.26Å; V834-L838 WeakPolarHBondContact O-CB 3.24Å; V834-L838 VanDerWaalsContact O-CG 3.28Å; V834-L838 WeakPolarHBondContact O-CG 3.1Å; V834-L838 PolarHBondContact O-N 2.84Å; L838-P840 WeakPolarHBondContact O-CD 3.37Å
839	L	87.9	Confident	79.5	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.			trans	-114.4	93.7	-179.9	-76.1	71.6	0	0	0	110.2	E58 L62 L835 V841 C842 V950 I952	E58-L839 HydrophobicContact CB-CD2 4.16Å; E58-L839 HydrophobicContact CB-CG 4.11Å; E58-L839 HydrophobicContact CG-CG 4.37Å; L62-L839 HydrophobicContact CD1-CD1 3.82Å; L62-L839 HydrophobicContact CD2-CD1 4Å; L62-L839 HydrophobicContact CG-CD1 3.78Å; L835-L839 HydrophobicContact CD1-CD1 4.24Å; L835-L839 HydrophobicContact CD1-CD2 4.11Å; L835-L839 WeakPolarHBondContact O-CB 3.2Å; L835-L839 PolarHBondContact O-N 2.96Å; L835-L839 VanDerWaalsContact O-N 3.12Å; L839-V841 PolarHBondContact O-N 2.8Å; L839-V841 VanDerWaalsContact O-N 3.12Å; L839-C842 HydrophobicContact CB-CB 4.49Å; L839-C842 WeakPolarHBondContact CB-SG 3.4Å; L839-C842 WeakPolarHBondContact O-CB 3.06Å; L839-C842 PolarHBondContact O-N 2.7Å; L839-V950 HydrophobicContact CD2-CG2 4.2Å; L839-I952 HydrophobicContact CD2-CD1 4.28Å
840	P	81.9	Confident	79.2	Confident	81 Å²	81	50.9 Å²	50.9	53%	0.526	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29.8	-177.7	-25	33.8	0	0	0	113.9	L838 C842 N843	L838-P840 WeakPolarHBondContact O-CD 3.37Å; P840-C842 PolarHBondContact O-N 3.05Å; P840-N843 PolarHBondContact O-N 3.31Å
841	V	82	Confident	79	Confident	23 Å²	23	53 Å²	53	14%	0.139	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.4	177.8	177.2	0	0	0	0	112.2	F53 L839 N843 I850	F53-V841 HydrophobicContact CD2-CG2 3.57Å; F53-V841 HydrophobicContact CE2-CB 4.06Å; F53-V841 HydrophobicContact CE2-CG1 4.44Å; F53-V841 HydrophobicContact CE2-CG2 3.41Å; F53-V841 VanDerWaalsContact CE2-CG2 3.41Å; F53-V841 HydrophobicContact CG-CG2 4.43Å; F53-V841 HydrophobicContact CZ-CB 4.39Å; F53-V841 HydrophobicContact CZ-CG1 4.43Å; F53-V841 HydrophobicContact CZ-CG2 4.17Å; L839-V841 PolarHBondContact O-N 2.8Å; L839-V841 VanDerWaalsContact O-N 3.12Å; V841-N843 PolarHBondContact O-N 3.06Å; V841-I850 HydrophobicContact CG1-CD1 4.11Å; V841-I850 HydrophobicContact CG1-CG2 4.33Å
842	C	82.4	Confident	79	Confident	2 Å²	2	53 Å²	53	1%	0.014	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-72	-15.7	178.2	-54.6	0	0	0	0	113.1	M836 L839 P840 C852	M836-C842 HydrophobicContact CE-CB 3.94Å; M836-C842 HydrophobicContact SD-CB 3.52Å; M836-C842 VanDerWaalsContact SD-CB 3.52Å; L839-C842 HydrophobicContact CB-CB 4.49Å; L839-C842 WeakPolarHBondContact CB-SG 3.4Å; L839-C842 WeakPolarHBondContact O-CB 3.06Å; L839-C842 PolarHBondContact O-N 2.7Å; P840-C842 PolarHBondContact O-N 3.05Å; C842-C852 VanDerWaalsContact CA-SG 3.54Å; C842-C852 HydrophobicContact CB-CB 3.75Å; C842-C852 WeakPolarHBondContact CB-SG 3.42Å; C842-C852 WeakPolarHBondContact SG-CB 3.07Å; C842-C852 CovalentContact SG-SG 2.02Å; C842-C852 PolarHBondContact SG-SG 3.08Å
843	N	75.5	Confident	79.3	Confident	108 Å²	108	51.3 Å²	51.3	58%	0.578	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-108.3	-1.8	-175.2	-158.3	16.5	0	0	0	113.9	P840 V841 D845	P840-N843 PolarHBondContact O-N 3.31Å; V841-N843 PolarHBondContact O-N 3.06Å; N843-D845 VanDerWaalsContact C-N 3.34Å; N843-D845 PolarHBondContact O-N 3.38Å
844	Q	66.4	Low	79.5	Confident	128 Å²	128	49.4 Å²	49.4	60%	0.598	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.7	-170	-74.3	177.7	-7.4	0	0	114.8
845	D	59.5	Low	79.7	Confident	84 Å²	84	49 Å²	49	45%	0.449	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	25.5	-177.6	-76.3	-33.3	0	0	0	113.2	N843 G847 N848 K849	N843-D845 VanDerWaalsContact C-N 3.34Å; N843-D845 PolarHBondContact O-N 3.38Å; D845-G847 PolarHBondContact O-N 2.76Å; D845-N848 PolarHBondContact O-N 3.2Å; D845-K849 HydrophobicContact CB-CB 4.48Å
846	G	57	Low	79.7	Confident	61 Å²	61	49.3 Å²	49.3	63%	0.629	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	24.3	-173.1	0	0	0	0	0	113.7	N848	G846-N848 VanDerWaalsContact C-N 3.3Å; G846-N848 PolarHBondContact O-N 2.92Å
847	G	56.3	Low	79.7	Confident	19 Å²	19	48.5 Å²	48.5	20%	0.196	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	1.5	179.6	0	0	0	0	0	116	D845	D845-G847 PolarHBondContact O-N 2.76Å
848	N	60.4	Low	79.7	Confident	146 Å²	146	47.1 Å²	47.1	78%	0.781	26%	0.256	S	S	*	.	S	Bend	trans	-80.4	-24.5	-171.3	-77.9	-21.1	0	0	0	115	D845 G846	D845-N848 PolarHBondContact O-N 3.2Å; G846-N848 VanDerWaalsContact C-N 3.3Å; G846-N848 PolarHBondContact O-N 2.92Å
849	K	70.8	Confident	79.7	Confident	124 Å²	124	44.8 Å²	44.8	54%	0.539	24%	0.244	S	C	.	.	S	Bend	trans	-112.9	-33.8	178.4	-69.2	-178	-178.2	170.8	0	113.5	D845 E955	D845-K849 HydrophobicContact CB-CB 4.48Å; K849-E955 PolarHBondContact O-N 3.12Å
850	I	81.9	Confident	79.8	Confident	21 Å²	21	47.9 Å²	47.9	11%	0.108	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.6	177.7	-58.2	176.7	0	0	0	108.3	V841 I952 V953 N954	V841-I850 HydrophobicContact CG1-CD1 4.11Å; V841-I850 HydrophobicContact CG1-CG2 4.33Å; I850-I952 HydrophobicContact CG2-CG2 3.66Å; I850-V953 CarbonylContact C-O 3.56Å; I850-V953 VanDerWaalsContact CA-O 3.29Å; I850-V953 WeakPolarHBondContact CA-O 3.48Å; I850-N954 HydrophobicContact CG1-CB 4.41Å
851	R	86.8	Confident	80.3	Confident	51 Å²	51	44.1 Å²	44.1	19%	0.192	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.3	177.8	-66.9	-175.8	-90.4	149.8	-7.6	109.3	E885 V953 E955	R851-E885 IonicContact CZ-OE1 3.88Å; R851-E885 IonicContact CZ-OE2 2.76Å; R851-E885 IonicContact NE-OE1 3.27Å; R851-E885 IonicContact NH1-OE1 2.99Å; R851-E885 PolarHBondContact NH1-OE1 2.88Å; R851-E885 IonicContact NH1-OE2 3.93Å; R851-E885 PolarHBondContact NH1-OE2 3.39Å; R851-E885 IonicContact NH2-OE2 3.09Å; R851-V953 HydrophobicContact CB-CB 4.42Å; R851-V953 PolarHBondContact N-O 2.8Å; R851-V953 PolarHBondContact O-N 2.97Å; R851-E955 IonicContact CZ-OE2 3.92Å; R851-E955 IonicContact NE-OE2 3.73Å; R851-E955 IonicContact NH2-OE1 3.75Å; R851-E955 PolarHBondContact NH2-OE1 2.94Å; R851-E955 IonicContact NH2-OE2 3.39Å; R851-E955 PolarHBondContact NH2-OE2 2.82Å
852	C	90.6	Very high	80.7	Confident	1 Å²	1	43 Å²	43	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.3	176.4	-62.6	0	0	0	0	110.5	L835 C842 G951	L835-C852 HydrophobicContact CD1-CB 4.41Å; L835-C852 HydrophobicContact CD2-CB 3.86Å; L835-C852 HydrophobicContact CG-CB 4.17Å; C842-C852 VanDerWaalsContact CA-SG 3.54Å; C842-C852 HydrophobicContact CB-CB 3.75Å; C842-C852 WeakPolarHBondContact CB-SG 3.42Å; C842-C852 WeakPolarHBondContact SG-CB 3.07Å; C842-C852 CovalentContact SG-SG 2.02Å; C842-C852 PolarHBondContact SG-SG 3.08Å; C852-G951 WeakPolarHBondContact CA-O 3.34Å
853	F	92.9	Very high	81.1	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.9	178.4	67.4	-95.4	0	0	0	113.5	M855 L861 A863 H864 I881 L940 V950 G951 V953	F853-M855 HydrophobicContact CD2-CB 4.32Å; F853-M855 HydrophobicContact CD2-CG 4.48Å; F853-M855 HydrophobicContact CE2-CB 4.37Å; F853-M855 HydrophobicContact CE2-CG 4.11Å; F853-M855 HydrophobicContact CE2-SD 3.94Å; F853-L861 HydrophobicContact CB-CD2 4.24Å; F853-L861 HydrophobicContact CD2-CD2 3.82Å; F853-L861 HydrophobicContact CG-CD2 4.2Å; F853-A863 CarbonylContact C-O 3.57Å; F853-A863 WeakPolarHBondContact CA-O 3.3Å; F853-A863 VanDerWaalsContact CB-O 3.24Å; F853-A863 WeakPolarHBondContact CB-O 3.41Å; F853-H864 HydrophobicContact CB-CB 4.38Å; F853-I881 HydrophobicContact CE2-CD1 3.84Å; F853-I881 HydrophobicContact CZ-CD1 3.68Å; F853-L940 HydrophobicContact CE2-CD1 4.11Å; F853-L940 HydrophobicContact CZ-CD1 4.09Å; F853-V950 WeakPolarHBondContact O-CA 3.36Å; F853-G951 PolarHBondContact N-O 2.81Å; F853-G951 PolarHBondContact O-N 3.45Å; F853-V953 HydrophobicContact CD1-CG2 4.24Å; F853-V953 HydrophobicContact CE1-CG2 3.69Å
854	I	93.9	Very high	81.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	167.9	-59.6	174.4	0	0	0	107.4	L786 L835 V862 A863 I943 A948 F949	L786-I854 HydrophobicContact CD2-CG2 4.37Å; L835-I854 HydrophobicContact CB-CD1 4.42Å; L835-I854 HydrophobicContact CD1-CD1 4.23Å; L835-I854 HydrophobicContact CD1-CG1 4.07Å; L835-I854 HydrophobicContact CD2-CG1 4.33Å; I854-V862 HydrophobicContact CB-CB 4.28Å; I854-V862 HydrophobicContact CG2-CB 4.02Å; I854-V862 HydrophobicContact CG2-CG1 4.45Å; I854-V862 PolarHBondContact O-N 3.06Å; I854-A863 HydrophobicContact CB-CB 4.06Å; I854-A863 HydrophobicContact CD1-CB 4.25Å; I854-A863 HydrophobicContact CG1-CB 4.22Å; I854-A863 PolarHBondContact N-O 2.81Å; I854-A863 PolarHBondContact O-N 3.44Å; I854-I943 HydrophobicContact CG2-CD1 4.26Å; I854-A948 HydrophobicContact CG2-CB 4.2Å; I854-F949 WeakPolarHBondContact CA-O 3.19Å
855	M	93.4	Very high	82.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.2	174.3	70.5	177.7	-172.8	0	0	111.8	F853 Y860 L861 I881 F918 L940 A948 F949	F853-M855 HydrophobicContact CD2-CB 4.32Å; F853-M855 HydrophobicContact CD2-CG 4.48Å; F853-M855 HydrophobicContact CE2-CB 4.37Å; F853-M855 HydrophobicContact CE2-CG 4.11Å; F853-M855 HydrophobicContact CE2-SD 3.94Å; M855-Y860 VanDerWaalsContact CA-O 3.29Å; M855-Y860 WeakPolarHBondContact CA-O 3.16Å; M855-L861 HydrophobicContact CB-CD2 4.19Å; M855-I881 HydrophobicContact SD-CB 4.39Å; M855-I881 HydrophobicContact SD-CD1 3.64Å; M855-I881 HydrophobicContact SD-CG2 4.42Å; M855-F918 HydrophobicContact CE-CD1 3.75Å; M855-F918 HydrophobicContact CE-CE1 3.86Å; M855-F918 HydrophobicContact CE-CG 4.31Å; M855-L940 HydrophobicContact CE-CD1 3.94Å; M855-L940 HydrophobicContact CE-CD2 3.79Å; M855-L940 HydrophobicContact CE-CG 4.45Å; M855-A948 CarbonylContact O-C 3.24Å; M855-A948 VanDerWaalsContact O-CA 3.31Å; M855-A948 WeakPolarHBondContact O-CA 3.27Å; M855-F949 HydrophobicContact CE-CB 3.89Å; M855-F949 HydrophobicContact CE-CD2 4.06Å; M855-F949 HydrophobicContact CE-CG 4.01Å; M855-F949 HydrophobicContact CG-CB 3.96Å; M855-F949 HydrophobicContact CG-CD2 4.43Å; M855-F949 PolarHBondContact N-O 3.14Å; M855-F949 PolarHBondContact O-N 3.45Å
856	E	90.8	Very high	83.8	Confident	6 Å²	6	31 Å²	31	3%	0.028	17%	0.168	C	C	.	.			trans	-80	174.4	171.1	65	164.3	-150.3	0	0	112.3	H776 G788 R858 G859 Y860	H776-E856 IonicContact CE1-OE1 3.99Å; H776-E856 IonicContact CE1-OE2 3.73Å; H776-E856 PolarHBondContact CE1-OE2 3.37Å; H776-E856 IonicContact ND1-OE2 2.65Å; G788-E856 PolarHBondContact N-OE2 3.12Å; E856-R858 PolarHBondContact O-N 3.34Å; E856-R858 VanDerWaalsContact O-N 3.07Å; E856-G859 PolarHBondContact O-N 3.24Å; E856-Y860 PolarHBondContact N-O 2.99Å; E856-Y860 WeakPolarHBondContact OE1-CD2 3.06Å
857	D	87.8	Confident	84.9	Confident	11 Å²	11	28.5 Å²	28.5	6%	0.059	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-6	-176.7	62.2	-51.9	0	0	0	115	K917 F918 T920 N947 F949	D857-K917 WeakPolarHBondContact O-CA 3.49Å; D857-F918 WeakPolarHBondContact O-CD2 3.22Å; D857-F918 PolarHBondContact O-N 3.07Å; D857-T920 HydrophobicContact CB-CG2 3.74Å; D857-N947 HydrophobicContact CB-CB 4.39Å; D857-N947 WeakPolarHBondContact CB-O 3.25Å; D857-N947 PolarHBondContact N-O 3.26Å; D857-N947 PolarHBondContact OD1-ND2 3.2Å; D857-F949 HydrophobicContact CB-CE2 4.45Å
858	R	87.4	Confident	86	Confident	74 Å²	74	28.7 Å²	28.7	28%	0.279	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.5	170.4	-60	-179	-176	-147.9	-7.2	113.6	E856 Y860 H880 Y916 E1011	E856-R858 PolarHBondContact O-N 3.34Å; E856-R858 VanDerWaalsContact O-N 3.07Å; R858-Y860 HydrophobicContact CB-CD2 3.93Å; R858-Y860 HydrophobicContact CB-CE2 4.21Å; R858-H880 PolarHBondContact O-CD2 2.68Å; R858-H880 PolarHBondContact O-NE2 2.96Å; R858-Y916 WeakPolarHBondContact CA-O 3.31Å; R858-E1011 IonicContact CZ-OE2 2.81Å; R858-E1011 VanDerWaalsContact CZ-OE2 3.23Å; R858-E1011 IonicContact NH1-OE2 3.79Å; R858-E1011 PolarHBondContact NH1-OE2 2.04Å; R858-E1011 VanDerWaalsContact NH2-CD 3.29Å; R858-E1011 IonicContact NH2-OE1 3.76Å; R858-E1011 PolarHBondContact NH2-OE1 3.24Å; R858-E1011 VanDerWaalsContact NH2-OE1 3.08Å; R858-E1011 IonicContact NH2-OE2 3.02Å; R858-E1011 PolarHBondContact NH2-OE2 2.66Å
859	G	89.3	Confident	86.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	86.9	5.2	178.2	0	0	0	0	0	115.5	E856 H880 I881	E856-G859 PolarHBondContact O-N 3.24Å; G859-H880 WeakPolarHBondContact CA-NE2 3.19Å; G859-H880 PolarHBondContact O-CD2 2.86Å; G859-I881 PolarHBondContact O-N 2.62Å
860	Y	89.6	Confident	86.7	Confident	65 Å²	65	20.8 Å²	20.8	26%	0.255	10%	0.103	S	C	.	.	B	Isolated β-bridge	trans	-73.6	138.4	169.8	-67.2	-80.2	0	0	0	110.6	M855 E856 R858 H880	M855-Y860 VanDerWaalsContact CA-O 3.29Å; M855-Y860 WeakPolarHBondContact CA-O 3.16Å; E856-Y860 PolarHBondContact N-O 2.99Å; E856-Y860 WeakPolarHBondContact OE1-CD2 3.06Å; R858-Y860 HydrophobicContact CB-CD2 3.93Å; R858-Y860 HydrophobicContact CB-CE2 4.21Å; Y860-H880 HydrophobicContact CD1-CB 4.32Å; Y860-H880 HydrophobicContact CE1-CB 4.35Å
861	L	91.4	Very high	85.9	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.7	-176.4	-64	170	0	0	0	110.3	P789 F853 M855 H864 L867 Q879 K884	P789-L861 WeakPolarHBondContact CD-O 3.5Å; F853-L861 HydrophobicContact CB-CD2 4.24Å; F853-L861 HydrophobicContact CD2-CD2 3.82Å; F853-L861 HydrophobicContact CG-CD2 4.2Å; M855-L861 HydrophobicContact CB-CD2 4.19Å; L861-H864 HydrophobicContact CB-CB 4.29Å; L861-H864 HydrophobicContact CD1-CB 3.97Å; L861-L867 HydrophobicContact CB-CD1 3.85Å; L861-Q879 PolarHBondContact N-O 3.16Å; L861-K884 HydrophobicContact CD1-CB 3.71Å; L861-K884 HydrophobicContact CD1-CG 3.68Å
862	V	91.5	Very high	84.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-38.2	173.8	175.5	0	0	0	0	110.7	L786 V800 F831 I854	L786-V862 HydrophobicContact CD2-CG1 4.32Å; V800-V862 HydrophobicContact CG1-CG1 3.56Å; V800-V862 HydrophobicContact CG2-CG1 4.21Å; F831-V862 HydrophobicContact CB-CG1 4.23Å; F831-V862 HydrophobicContact CD2-CG1 4.37Å; F831-V862 HydrophobicContact CG-CG1 4.15Å; I854-V862 HydrophobicContact CB-CB 4.28Å; I854-V862 HydrophobicContact CG2-CB 4.02Å; I854-V862 HydrophobicContact CG2-CG1 4.45Å; I854-V862 PolarHBondContact O-N 3.06Å
863	A	90.6	Very high	83	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	127	177.1	0	0	0	0	0	109.3	F831 L835 F853 I854	F831-A863 HydrophobicContact CB-CB 4.16Å; L835-A863 HydrophobicContact CD2-CB 4.23Å; F853-A863 CarbonylContact C-O 3.57Å; F853-A863 WeakPolarHBondContact CA-O 3.3Å; F853-A863 VanDerWaalsContact CB-O 3.24Å; F853-A863 WeakPolarHBondContact CB-O 3.41Å; I854-A863 HydrophobicContact CB-CB 4.06Å; I854-A863 HydrophobicContact CD1-CB 4.25Å; I854-A863 HydrophobicContact CG1-CB 4.22Å; I854-A863 PolarHBondContact N-O 2.81Å; I854-A863 PolarHBondContact O-N 3.44Å
864	H	90.1	Very high	81.2	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.183	C	C	.	.			trans	-162.8	146.6	-179.8	-172.9	-88	0	0	0	109.7	F853 L861 T866 L867 E885	F853-H864 HydrophobicContact CB-CB 4.38Å; L861-H864 HydrophobicContact CB-CB 4.29Å; L861-H864 HydrophobicContact CD1-CB 3.97Å; H864-T866 VanDerWaalsContact C-N 3.28Å; H864-T866 PolarHBondContact CE1-OG1 2.61Å; H864-T866 VanDerWaalsContact CE1-OG1 3.23Å; H864-T866 PolarHBondContact ND1-N 2.86Å; H864-T866 PolarHBondContact ND1-OG1 3.06Å; H864-T866 PolarHBondContact O-N 3.27Å; H864-L867 HydrophobicContact CB-CD1 3.9Å; H864-L867 HydrophobicContact CB-CG 4.09Å; H864-L867 WeakPolarHBondContact O-CB 3.43Å; H864-L867 PolarHBondContact O-N 3.14Å; H864-E885 IonicContact CE1-OE1 2.68Å; H864-E885 IonicContact NE2-OE1 3.5Å; H864-E885 PolarHBondContact NE2-OE1 3.41Å; H864-E885 VanDerWaalsContact NE2-OE1 3.09Å
865	P	85.5	Confident	79.7	Confident	30 Å²	30	37.9 Å²	37.9	20%	0.195	20%	0.202	C	C	.	.	H	α-helix	trans	-54.7	-39.8	179.4	-25.9	32.6	0	0	0	114.1	Y832 L867 V868 D869	Y832-P865 HydrophobicContact CE2-CB 4.27Å; Y832-P865 HydrophobicContact CE2-CG 3.89Å; P865-L867 VanDerWaalsContact C-N 3.26Å; P865-L867 PolarHBondContact O-N 3.02Å; P865-V868 WeakPolarHBondContact O-CG2 3.38Å; P865-V868 PolarHBondContact O-N 2.89Å; P865-V868 VanDerWaalsContact O-N 3.17Å; P865-D869 PolarHBondContact O-N 3.1Å
866	T	81.9	Confident	78.4	Confident	39 Å²	39	39.1 Å²	39.1	24%	0.239	21%	0.209	C	C	.	.	H	α-helix	trans	-72.7	-12.4	179.3	65.3	0	0	0	0	114.7	H864 V868 Q879 K884	H864-T866 VanDerWaalsContact C-N 3.28Å; H864-T866 PolarHBondContact CE1-OG1 2.61Å; H864-T866 VanDerWaalsContact CE1-OG1 3.23Å; H864-T866 PolarHBondContact ND1-N 2.86Å; H864-T866 PolarHBondContact ND1-OG1 3.06Å; H864-T866 PolarHBondContact O-N 3.27Å; T866-V868 VanDerWaalsContact C-N 3.29Å; T866-Q879 PolarHBondContact OG1-OE1 3.07Å; T866-K884 WeakPolarHBondContact OG1-CE 3.46Å
867	L	81.3	Confident	77.1	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-77.8	-20.3	172.2	-73.4	170.2	0	0	0	111.9	L828 L861 H864 P865 L876 Q879	L828-L867 HydrophobicContact CD1-CD1 4.49Å; L828-L867 HydrophobicContact CD2-CB 4.5Å; L861-L867 HydrophobicContact CB-CD1 3.85Å; H864-L867 HydrophobicContact CB-CD1 3.9Å; H864-L867 HydrophobicContact CB-CG 4.09Å; H864-L867 WeakPolarHBondContact O-CB 3.43Å; H864-L867 PolarHBondContact O-N 3.14Å; P865-L867 VanDerWaalsContact C-N 3.26Å; P865-L867 PolarHBondContact O-N 3.02Å; L867-L876 HydrophobicContact CD2-CB 4.12Å; L867-L876 HydrophobicContact CD2-CD2 4.17Å; L867-Q879 HydrophobicContact CD2-CB 3.91Å; L867-Q879 HydrophobicContact CD2-CG 3.95Å
868	V	79.5	Confident	76.2	Confident	24 Å²	24	44.8 Å²	44.8	15%	0.145	24%	0.235	C	C	.	.	H	α-helix	trans	-112.6	-2.4	-177	-59.6	0	0	0	0	112.6	R829 Y832 P865 T866 F1048	R829-V868 HydrophobicContact CG-CB 4.46Å; R829-V868 HydrophobicContact CG-CG1 3.75Å; Y832-V868 HydrophobicContact CD1-CG1 4.28Å; Y832-V868 HydrophobicContact CD1-CG2 3.83Å; Y832-V868 HydrophobicContact CE1-CG2 3.71Å; Y832-V868 HydrophobicContact CE2-CG2 4.46Å; Y832-V868 HydrophobicContact CG-CG1 4.21Å; Y832-V868 HydrophobicContact CG-CG2 4.22Å; P865-V868 WeakPolarHBondContact O-CG2 3.38Å; P865-V868 PolarHBondContact O-N 2.89Å; P865-V868 VanDerWaalsContact O-N 3.17Å; T866-V868 VanDerWaalsContact C-N 3.29Å; V868-F1048 HydrophobicContact CB-CE2 4.39Å; V868-F1048 HydrophobicContact CB-CZ 3.97Å; V868-F1048 HydrophobicContact CG1-CZ 3.92Å; V868-F1048 HydrophobicContact CG2-CZ 4.2Å
869	D	78	Confident	75.9	Confident	71 Å²	71	41.3 Å²	41.3	38%	0.38	22%	0.222	S	C	.	.			trans	-75.1	124.3	178.9	-179.6	6.1	0	0	0	111.4	P865 K871 G872	P865-D869 PolarHBondContact O-N 3.1Å; D869-K871 PolarHBondContact O-N 3.19Å; D869-K871 VanDerWaalsContact O-N 3.14Å; D869-K871 PolarHBondContact OD1-N 3.12Å; D869-G872 PolarHBondContact O-N 3.18Å; D869-G872 VanDerWaalsContact O-N 3.16Å
870	P	65.9	Low	75.8	Confident	32 Å²	32	41.5 Å²	41.5	21%	0.208	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.6	175.6	25.1	-37.1	0	0	0	114.1	G872 V1057 V1058 G1079 I1081	P870-G872 VanDerWaalsContact C-N 3.32Å; P870-G872 PolarHBondContact O-N 3.47Å; P870-V1057 HydrophobicContact CB-CG2 4.36Å; P870-V1057 HydrophobicContact CG-CG2 3.85Å; P870-V1058 HydrophobicContact CB-CG2 4.1Å; P870-V1058 HydrophobicContact CG-CG2 4.11Å; P870-G1079 WeakPolarHBondContact CA-O 3.31Å; P870-G1079 WeakPolarHBondContact CB-O 3.13Å; P870-I1081 HydrophobicContact CB-CG1 4.19Å; P870-I1081 WeakPolarHBondContact O-CD1 3.31Å
871	K	65.6	Low	75.8	Confident	115 Å²	115	38.4 Å²	38.4	50%	0.5	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.7	-179.7	-62.3	176.6	-176.8	171.7	0	113.7	D869 H873	D869-K871 PolarHBondContact O-N 3.19Å; D869-K871 VanDerWaalsContact O-N 3.14Å; D869-K871 PolarHBondContact OD1-N 3.12Å; K871-H873 PolarHBondContact O-CE1 3.37Å; K871-H873 VanDerWaalsContact O-CE1 3.29Å; K871-H873 PolarHBondContact O-N 3.22Å; K871-H873 PolarHBondContact O-ND1 2.95Å
872	G	61	Low	75.6	Confident	36 Å²	36	38.6 Å²	38.6	37%	0.371	21%	0.212	S	C	.	.			trans	-72.7	118.7	179.5	0	0	0	0	0	113.2	D869 P870	D869-G872 PolarHBondContact O-N 3.18Å; D869-G872 VanDerWaalsContact O-N 3.16Å; P870-G872 VanDerWaalsContact C-N 3.32Å; P870-G872 PolarHBondContact O-N 3.47Å
873	H	56.1	Low	75.2	Confident	189 Å²	189	40.9 Å²	40.9	88%	0.875	22%	0.222	S	C	*	.			trans	-102.2	13.4	-175.2	-69.2	75.1	0	0	0	115.2	K871	K871-H873 PolarHBondContact O-CE1 3.37Å; K871-H873 VanDerWaalsContact O-CE1 3.29Å; K871-H873 PolarHBondContact O-N 3.22Å; K871-H873 PolarHBondContact O-ND1 2.95Å
874	A	55.3	Low	74.9	Confident	30 Å²	30	42.9 Å²	42.9	25%	0.248	23%	0.231	C	C	.	.	S	Bend	trans	-118.8	149.5	-176.9	0	0	0	0	0	112.1	L876	A874-L876 PolarHBondContact O-N 2.93Å
875	P	61	Low	74.8	Confident	63 Å²	63	43 Å²	43	41%	0.409	23%	0.231	S	C	.	.			trans	-54	123.1	174.7	-19.9	30	0	0	0	110.3	E877 Q878	P875-E877 VanDerWaalsContact CB-OE2 3.31Å; P875-E877 WeakPolarHBondContact CB-OE2 3.29Å; P875-E877 PolarHBondContact O-N 3.49Å; P875-Q878 HydrophobicContact CB-CG 4.43Å; P875-Q878 PolarHBondContact O-N 2.52Å; P875-Q878 VanDerWaalsContact O-N 3.12Å
876	L	67.9	Low	74.8	Confident	27 Å²	27	43 Å²	43	14%	0.141	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23.8	-173.4	-55.5	-179.3	0	0	0	111.8	Y798 L828 L867 A874 Q878 Q879	Y798-L876 HydrophobicContact CD1-CB 3.91Å; Y798-L876 HydrophobicContact CD1-CD1 4.27Å; Y798-L876 HydrophobicContact CD1-CG 4.5Å; Y798-L876 HydrophobicContact CD2-CD1 3.49Å; Y798-L876 VanDerWaalsContact CD2-CD1 3.49Å; Y798-L876 HydrophobicContact CD2-CG 4.22Å; Y798-L876 HydrophobicContact CE1-CB 3.59Å; Y798-L876 HydrophobicContact CE1-CD1 4.34Å; Y798-L876 HydrophobicContact CE1-CG 4.15Å; Y798-L876 HydrophobicContact CE2-CB 4.23Å; Y798-L876 HydrophobicContact CE2-CD1 3.59Å; Y798-L876 HydrophobicContact CE2-CG 3.86Å; Y798-L876 HydrophobicContact CG-CB 4.35Å; Y798-L876 HydrophobicContact CG-CD1 3.85Å; Y798-L876 PolarHBondContact OH-N 3.32Å; L828-L876 HydrophobicContact CD2-CD1 3.51Å; L867-L876 HydrophobicContact CD2-CB 4.12Å; L867-L876 HydrophobicContact CD2-CD2 4.17Å; A874-L876 PolarHBondContact O-N 2.93Å; L876-Q878 PolarHBondContact O-N 3.47Å; L876-Q878 VanDerWaalsContact O-N 3.16Å; L876-Q879 PolarHBondContact O-N 2.95Å
877	E	61.9	Low	75	Confident	56 Å²	56	42.7 Å²	42.7	26%	0.262	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67	-11.9	177.4	-49.4	96.5	143.1	0	0	113.9	P789 L791 Y798 P875	P789-E877 WeakPolarHBondContact O-CA 3.36Å; L791-E877 WeakPolarHBondContact CD1-OE1 3.29Å; L791-E877 WeakPolarHBondContact CG-OE1 3.31Å; Y798-E877 HydrophobicContact CD1-CG 4.46Å; Y798-E877 HydrophobicContact CE1-CG 3.83Å; Y798-E877 WeakPolarHBondContact CE1-OE2 3.47Å; Y798-E877 PolarHBondContact OH-OE2 3.05Å; Y798-E877 VanDerWaalsContact OH-OE2 3.1Å; P875-E877 VanDerWaalsContact CB-OE2 3.31Å; P875-E877 WeakPolarHBondContact CB-OE2 3.29Å; P875-E877 PolarHBondContact O-N 3.49Å
878	Q	70	Confident	75.3	Confident	79 Å²	79	42.4 Å²	42.4	37%	0.369	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-113.4	13.6	-175.2	-57.2	-174.7	14.3	0	0	112.5	P875 L876 H880	P875-Q878 HydrophobicContact CB-CG 4.43Å; P875-Q878 PolarHBondContact O-N 2.52Å; P875-Q878 VanDerWaalsContact O-N 3.12Å; L876-Q878 PolarHBondContact O-N 3.47Å; L876-Q878 VanDerWaalsContact O-N 3.16Å; Q878-H880 PolarHBondContact O-N 3.47Å; Q878-H880 VanDerWaalsContact O-N 3.08Å
879	Q	80.3	Confident	75.7	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	22%	0.221	C	C	.	.			trans	-83.1	88.8	179.9	-62.7	-160.1	13.7	0	0	111.4	L861 T866 L867 L876 K884	L861-Q879 PolarHBondContact N-O 3.16Å; T866-Q879 PolarHBondContact OG1-OE1 3.07Å; L867-Q879 HydrophobicContact CD2-CB 3.91Å; L867-Q879 HydrophobicContact CD2-CG 3.95Å; L876-Q879 PolarHBondContact O-N 2.95Å; Q879-K884 HydrophobicContact CB-CG 4.44Å
880	H	87.3	Confident	76.1	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.014	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-88.1	152.7	172.4	-169.4	-100.3	0	0	0	111.4	R858 G859 Y860 Q878 T882 H883 K884 Y916 P986	R858-H880 PolarHBondContact O-CD2 2.68Å; R858-H880 PolarHBondContact O-NE2 2.96Å; G859-H880 WeakPolarHBondContact CA-NE2 3.19Å; G859-H880 PolarHBondContact O-CD2 2.86Å; Y860-H880 HydrophobicContact CD1-CB 4.32Å; Y860-H880 HydrophobicContact CE1-CB 4.35Å; Q878-H880 PolarHBondContact O-N 3.47Å; Q878-H880 VanDerWaalsContact O-N 3.08Å; H880-T882 VanDerWaalsContact CE1-CG2 3.5Å; H880-T882 WeakPolarHBondContact CE1-CG2 3.26Å; H880-T882 VanDerWaalsContact ND1-CG2 3.32Å; H880-T882 WeakPolarHBondContact ND1-CG2 3.28Å; H880-T882 PolarHBondContact ND1-N 3.19Å; H880-T882 PolarHBondContact ND1-OG1 2.97Å; H880-T882 PolarHBondContact O-N 3.26Å; H880-T882 VanDerWaalsContact O-N 3.14Å; H880-H883 WeakPolarHBondContact O-CB 3.29Å; H880-H883 PolarHBondContact O-N 3.04Å; H880-K884 PolarHBondContact O-N 2.78Å; H880-Y916 AromaticContact CE1-CD2 3.67Å; H880-Y916 AromaticContact CE1-CG 3.89Å; H880-Y916 AromaticContact NE2-CD2 3.87Å; H880-P986 HydrophobicContact CB-CG 4.08Å
881	I	89.5	Confident	77.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-54	-34.2	178.2	-171.5	170.1	0	0	0	112.7	F853 M855 G859 H883 K884 E885 V888 I892 F918	F853-I881 HydrophobicContact CE2-CD1 3.84Å; F853-I881 HydrophobicContact CZ-CD1 3.68Å; M855-I881 HydrophobicContact SD-CB 4.39Å; M855-I881 HydrophobicContact SD-CD1 3.64Å; M855-I881 HydrophobicContact SD-CG2 4.42Å; G859-I881 PolarHBondContact O-N 2.62Å; I881-H883 PolarHBondContact O-N 3.46Å; I881-K884 PolarHBondContact O-N 2.02Å; I881-E885 HydrophobicContact CG1-CB 4.04Å; I881-E885 CarbonylContact O-C 3.58Å; I881-E885 WeakPolarHBondContact O-CA 3.46Å; I881-E885 PolarHBondContact O-N 3.36Å; I881-V888 HydrophobicContact CD1-CG1 4.34Å; I881-I892 HydrophobicContact CD1-CD1 4.3Å; I881-F918 HydrophobicContact CG2-CZ 4.02Å
882	T	87.8	Confident	78.2	Confident	5 Å²	5	35 Å²	35	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-24.8	177.7	57.6	0	0	0	0	113.7	H880 A889 C963 E984 C985	H880-T882 VanDerWaalsContact CE1-CG2 3.5Å; H880-T882 WeakPolarHBondContact CE1-CG2 3.26Å; H880-T882 VanDerWaalsContact ND1-CG2 3.32Å; H880-T882 WeakPolarHBondContact ND1-CG2 3.28Å; H880-T882 PolarHBondContact ND1-N 3.19Å; H880-T882 PolarHBondContact ND1-OG1 2.97Å; H880-T882 PolarHBondContact O-N 3.26Å; H880-T882 VanDerWaalsContact O-N 3.14Å; T882-A889 HydrophobicContact CG2-CB 3.95Å; T882-C963 WeakPolarHBondContact O-CB 3.41Å; T882-C963 PolarHBondContact O-SG 3.33Å; T882-E984 WeakPolarHBondContact CB-O 3.14Å; T882-E984 VanDerWaalsContact CG2-O 3.32Å; T882-E984 WeakPolarHBondContact CG2-O 3.17Å; T882-C985 PolarHBondContact OG1-SG 2.96Å; T882-C985 VanDerWaalsContact OG1-SG 3.4Å
883	H	82.6	Confident	79.5	Confident	47 Å²	47	33.7 Å²	33.7	22%	0.218	18%	0.175	C	C	.	.	H	α-helix	trans	-87.6	-39.4	177.7	-179.4	-170.6	0	0	0	111.2	H880 I881 M967	H880-H883 WeakPolarHBondContact O-CB 3.29Å; H880-H883 PolarHBondContact O-N 3.04Å; I881-H883 PolarHBondContact O-N 3.46Å; H883-M967 WeakPolarHBondContact NE2-CE 3.48Å
884	K	84.9	Confident	81	Confident	43 Å²	43	27 Å²	27	19%	0.187	15%	0.146	C	C	.	.	H	α-helix	trans	-94.9	-28.6	-173	-61.5	-51.2	-168	-176.2	0	114.7	L861 T866 Q879 H880 I881	L861-K884 HydrophobicContact CD1-CB 3.71Å; L861-K884 HydrophobicContact CD1-CG 3.68Å; T866-K884 WeakPolarHBondContact OG1-CE 3.46Å; Q879-K884 HydrophobicContact CB-CG 4.44Å; H880-K884 PolarHBondContact O-N 2.78Å; I881-K884 PolarHBondContact O-N 2.02Å
885	E	87.3	Confident	82.4	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.019	14%	0.139	C	C	.	.			trans	-131.8	65.3	-179.4	-63	-64.9	177.1	0	0	110.8	R851 H864 I881 L887 V888 A889	R851-E885 IonicContact CZ-OE1 3.88Å; R851-E885 IonicContact CZ-OE2 2.76Å; R851-E885 IonicContact NE-OE1 3.27Å; R851-E885 IonicContact NH1-OE1 2.99Å; R851-E885 PolarHBondContact NH1-OE1 2.88Å; R851-E885 IonicContact NH1-OE2 3.93Å; R851-E885 PolarHBondContact NH1-OE2 3.39Å; R851-E885 IonicContact NH2-OE2 3.09Å; H864-E885 IonicContact CE1-OE1 2.68Å; H864-E885 IonicContact NE2-OE1 3.5Å; H864-E885 PolarHBondContact NE2-OE1 3.41Å; H864-E885 VanDerWaalsContact NE2-OE1 3.09Å; I881-E885 HydrophobicContact CG1-CB 4.04Å; I881-E885 CarbonylContact O-C 3.58Å; I881-E885 WeakPolarHBondContact O-CA 3.46Å; I881-E885 PolarHBondContact O-N 3.36Å; E885-L887 VanDerWaalsContact C-N 3.35Å; E885-L887 PolarHBondContact O-N 2.04Å; E885-V888 HydrophobicContact CB-CB 4.08Å; E885-V888 HydrophobicContact CB-CG2 4.25Å; E885-V888 PolarHBondContact O-N 2.84Å; E885-A889 WeakPolarHBondContact O-CB 3.07Å; E885-A889 PolarHBondContact O-N 3.28Å
886	P	86.3	Confident	83.4	Confident	29 Å²	29	28.5 Å²	28.5	19%	0.188	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-34.4	-172.5	25.3	-34.6	0	0	0	113.5	A889 N890 A961 C963	P886-A889 PolarHBondContact O-N 3Å; P886-N890 VanDerWaalsContact O-CB 3.27Å; P886-N890 WeakPolarHBondContact O-CB 3.41Å; P886-N890 PolarHBondContact O-N 2.81Å; P886-A961 HydrophobicContact CB-CB 4.43Å; P886-A961 WeakPolarHBondContact CG-O 3.44Å; P886-C963 VanDerWaalsContact CB-SG 3.6Å
887	L	84.8	Confident	84.1	Confident	34 Å²	34	34.2 Å²	34.2	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-45.1	175.5	-75	169.9	0	0	0	111.7	E885 D891 S936 A961	E885-L887 VanDerWaalsContact C-N 3.35Å; E885-L887 PolarHBondContact O-N 2.04Å; L887-D891 PolarHBondContact O-N 3.4Å; L887-S936 WeakPolarHBondContact CB-OG 3.43Å; L887-A961 HydrophobicContact CD2-CB 3.32Å; L887-A961 HydrophobicContact CG-CB 3.65Å
888	V	87.9	Confident	85.3	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-69.2	-46.2	179.3	178.7	0	0	0	0	109.8	I881 E885 N890 D891 I892 Y938 V953	I881-V888 HydrophobicContact CD1-CG1 4.34Å; E885-V888 HydrophobicContact CB-CB 4.08Å; E885-V888 HydrophobicContact CB-CG2 4.25Å; E885-V888 PolarHBondContact O-N 2.84Å; V888-N890 VanDerWaalsContact C-N 3.32Å; V888-N890 PolarHBondContact O-N 3.09Å; V888-D891 PolarHBondContact O-N 2.86Å; V888-I892 HydrophobicContact CG1-CD1 3.46Å; V888-I892 VanDerWaalsContact CG1-CD1 3.46Å; V888-I892 HydrophobicContact CG1-CG1 4.08Å; V888-I892 VanDerWaalsContact O-CB 3.28Å; V888-I892 WeakPolarHBondContact O-CB 3.47Å; V888-I892 VanDerWaalsContact O-CG1 3.25Å; V888-I892 WeakPolarHBondContact O-CG1 3.22Å; V888-I892 PolarHBondContact O-N 3.43Å; V888-Y938 HydrophobicContact CG1-CD1 4.23Å; V888-Y938 HydrophobicContact CG1-CD2 3.97Å; V888-Y938 HydrophobicContact CG1-CE2 4.31Å; V888-Y938 HydrophobicContact CG1-CG 3.93Å; V888-Y938 HydrophobicContact CG2-CD1 4.35Å; V888-Y938 HydrophobicContact CG2-CG 4.3Å; V888-V953 HydrophobicContact CG2-CB 4.49Å; V888-V953 HydrophobicContact CG2-CG1 3.88Å; V888-V953 HydrophobicContact CG2-CG2 3.74Å
889	A	89	Confident	86.2	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-42.8	177.8	0	0	0	0	0	112.2	T882 E885 P886 D891 I892 L893	T882-A889 HydrophobicContact CG2-CB 3.95Å; E885-A889 WeakPolarHBondContact O-CB 3.07Å; E885-A889 PolarHBondContact O-N 3.28Å; P886-A889 PolarHBondContact O-N 3Å; A889-D891 PolarHBondContact O-N 3.49Å; A889-I892 PolarHBondContact O-N 2.87Å; A889-L893 VanDerWaalsContact O-CG 3.24Å; A889-L893 WeakPolarHBondContact O-CG 3.27Å; A889-L893 PolarHBondContact O-N 2.94Å; A889-L893 VanDerWaalsContact O-N 3.17Å
890	N	86.8	Confident	86.5	Confident	75 Å²	75	34.3 Å²	34.3	40%	0.401	18%	0.181	S	C	.	.	H	α-helix	trans	-64.6	-38.1	179	-168.7	58.1	0	0	0	112.9	P886 V888 N894 C983	P886-N890 VanDerWaalsContact O-CB 3.27Å; P886-N890 WeakPolarHBondContact O-CB 3.41Å; P886-N890 PolarHBondContact O-N 2.81Å; V888-N890 VanDerWaalsContact C-N 3.32Å; V888-N890 PolarHBondContact O-N 3.09Å; N890-N894 PolarHBondContact O-ND2 3.15Å; N890-C983 HydrophobicContact CB-CB 4.32Å
891	D	86.9	Confident	86.4	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-75	-42.9	176.6	-170.9	74.8	0	0	0	112.2	L887 V888 A889 L893 N894 H895 N928 L929 Y938	L887-D891 PolarHBondContact O-N 3.4Å; V888-D891 PolarHBondContact O-N 2.86Å; A889-D891 PolarHBondContact O-N 3.49Å; D891-L893 PolarHBondContact O-N 3.27Å; D891-N894 WeakPolarHBondContact O-CB 3.14Å; D891-N894 PolarHBondContact O-N 3.2Å; D891-H895 IonicContact OD2-NE2 3.76Å; D891-N928 WeakPolarHBondContact OD2-CA 3.32Å; D891-L929 PolarHBondContact OD2-N 3.46Å; D891-L929 VanDerWaalsContact OD2-N 3.15Å; D891-Y938 HydrophobicContact CB-CE1 3.91Å; D891-Y938 WeakPolarHBondContact OD2-CE1 3.41Å; D891-Y938 VanDerWaalsContact OD2-CZ 3.31Å; D891-Y938 PolarHBondContact OD2-OH 2.96Å
892	I	88.6	Confident	86.1	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-56.2	-34.9	178.1	-78.6	179.4	0	0	0	112	I881 V888 A889 N894 H895 F898 V899 F918 L926 Y938 L940	I881-I892 HydrophobicContact CD1-CD1 4.3Å; V888-I892 HydrophobicContact CG1-CD1 3.46Å; V888-I892 VanDerWaalsContact CG1-CD1 3.46Å; V888-I892 HydrophobicContact CG1-CG1 4.08Å; V888-I892 VanDerWaalsContact O-CB 3.28Å; V888-I892 WeakPolarHBondContact O-CB 3.47Å; V888-I892 VanDerWaalsContact O-CG1 3.25Å; V888-I892 WeakPolarHBondContact O-CG1 3.22Å; V888-I892 PolarHBondContact O-N 3.43Å; A889-I892 PolarHBondContact O-N 2.87Å; I892-N894 PolarHBondContact O-N 3Å; I892-H895 WeakPolarHBondContact O-CB 3.41Å; I892-H895 PolarHBondContact O-N 3.46Å; I892-H895 VanDerWaalsContact O-N 3.17Å; I892-F898 HydrophobicContact CG2-CD1 3.76Å; I892-F898 HydrophobicContact CG2-CE1 3.73Å; I892-V899 HydrophobicContact CG2-CG2 3.31Å; I892-F918 HydrophobicContact CG2-CE1 4.03Å; I892-L926 HydrophobicContact CG1-CD2 4.16Å; I892-Y938 HydrophobicContact CD1-CE2 4.08Å; I892-Y938 HydrophobicContact CG1-CE2 3.69Å; I892-Y938 WeakPolarHBondContact CG1-OH 3.33Å; I892-L940 HydrophobicContact CD1-CD2 3.84Å
893	L	87.6	Confident	85.9	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.042	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.8	177.2	-71.7	168.7	0	0	0	113.5	A889 D891 H895 V899 Y916 C983	A889-L893 VanDerWaalsContact O-CG 3.24Å; A889-L893 WeakPolarHBondContact O-CG 3.27Å; A889-L893 PolarHBondContact O-N 2.94Å; A889-L893 VanDerWaalsContact O-N 3.17Å; D891-L893 PolarHBondContact O-N 3.27Å; L893-H895 VanDerWaalsContact C-N 3.34Å; L893-V899 HydrophobicContact CD2-CB 4.15Å; L893-V899 HydrophobicContact CD2-CG1 3.73Å; L893-Y916 HydrophobicContact CD2-CD1 4.4Å; L893-Y916 HydrophobicContact CD2-CE1 3.9Å; L893-C983 HydrophobicContact CD1-CB 3.95Å
894	N	86.4	Confident	86	Confident	49 Å²	49	37.6 Å²	37.6	26%	0.262	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.8	176.6	-61.7	-54.9	0	0	0	112.9	N890 D891 I892 P896 L929 N981	N890-N894 PolarHBondContact O-ND2 3.15Å; D891-N894 WeakPolarHBondContact O-CB 3.14Å; D891-N894 PolarHBondContact O-N 3.2Å; I892-N894 PolarHBondContact O-N 3Å; N894-P896 WeakPolarHBondContact O-CD 3.41Å; N894-L929 HydrophobicContact CB-CD2 3.98Å; N894-L929 VanDerWaalsContact O-CD2 3.31Å; N894-L929 WeakPolarHBondContact O-CD2 3.44Å; N894-N981 PolarHBondContact OD1-ND2 3Å
895	H	86.3	Confident	86	Confident	24 Å²	24	35.6 Å²	35.6	11%	0.111	19%	0.191	C	C	.	.	S	Bend	trans	-71	121.1	176.9	-78.8	-96.1	0	0	0	111	D891 I892 L893 N897 F898 L926 T927 Y938	D891-H895 IonicContact OD2-NE2 3.76Å; I892-H895 WeakPolarHBondContact O-CB 3.41Å; I892-H895 PolarHBondContact O-N 3.46Å; I892-H895 VanDerWaalsContact O-N 3.17Å; L893-H895 VanDerWaalsContact C-N 3.34Å; H895-N897 PolarHBondContact O-N 3.41Å; H895-F898 HydrophobicContact CB-CB 3.92Å; H895-F898 PolarHBondContact O-N 2.97Å; H895-L926 HydrophobicContact CB-CD1 4.21Å; H895-L926 WeakPolarHBondContact NE2-CD2 3.38Å; H895-T927 PolarHBondContact CE1-O 3.01Å; H895-T927 PolarHBondContact NE2-O 3.38Å; H895-Y938 PolarHBondContact NE2-OH 3.49Å; H895-Y938 VanDerWaalsContact NE2-OH 3.17Å
896	P	82.5	Confident	85.8	Confident	101 Å²	101	36 Å²	36	66%	0.656	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	134	-177.9	26.8	-33.9	0	0	0	110.6	N894 F898	N894-P896 WeakPolarHBondContact O-CD 3.41Å; P896-F898 PolarHBondContact O-N 3.19Å; P896-F898 VanDerWaalsContact O-N 3.09Å
897	N	81.4	Confident	85.5	Confident	147 Å²	147	34.8 Å²	34.8	79%	0.786	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	11.9	175.5	-52.8	-46.1	0	0	0	116.3	H895 N919	H895-N897 PolarHBondContact O-N 3.41Å; N897-N919 PolarHBondContact O-ND2 3.03Å
898	F	87.3	Confident	85	Confident	9 Å²	9	35.4 Å²	35.4	4%	0.039	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-49.5	176.7	-178.9	-118.5	0	0	0	112.5	I892 H895 P896 F918 N919 L922 L926 L940 F949	I892-F898 HydrophobicContact CG2-CD1 3.76Å; I892-F898 HydrophobicContact CG2-CE1 3.73Å; H895-F898 HydrophobicContact CB-CB 3.92Å; H895-F898 PolarHBondContact O-N 2.97Å; P896-F898 PolarHBondContact O-N 3.19Å; P896-F898 VanDerWaalsContact O-N 3.09Å; F898-F918 AromaticContact CE1-CD1 3.84Å; F898-F918 HydrophobicContact CE1-CD1 3.84Å; F898-F918 HydrophobicContact CE1-CE1 4.41Å; F898-F918 HydrophobicContact CZ-CD1 4.02Å; F898-N919 HydrophobicContact CD2-CB 4.23Å; F898-N919 WeakPolarHBondContact O-CB 2.97Å; F898-N919 PolarHBondContact O-N 2.58Å; F898-L922 HydrophobicContact CD2-CB 4.48Å; F898-L922 HydrophobicContact CD2-CD1 4.28Å; F898-L922 HydrophobicContact CD2-CD2 4.37Å; F898-L922 HydrophobicContact CE2-CB 4.21Å; F898-L922 HydrophobicContact CE2-CD1 4.5Å; F898-L922 HydrophobicContact CE2-CD2 3.79Å; F898-L922 HydrophobicContact CE2-CG 4.39Å; F898-L922 HydrophobicContact CZ-CD2 4.36Å; F898-L926 HydrophobicContact CB-CD1 4.14Å; F898-L926 HydrophobicContact CD1-CD1 3.65Å; F898-L926 HydrophobicContact CD2-CD1 3.98Å; F898-L926 HydrophobicContact CE1-CD1 4.03Å; F898-L926 HydrophobicContact CE2-CD1 4.35Å; F898-L926 HydrophobicContact CG-CD1 3.63Å; F898-L926 HydrophobicContact CZ-CD1 4.38Å; F898-L940 HydrophobicContact CE1-CD2 3.62Å; F898-L940 HydrophobicContact CZ-CD2 3.51Å; F898-F949 AromaticContact CE2-CE1 3.83Å; F898-F949 HydrophobicContact CE2-CE1 3.83Å; F898-F949 HydrophobicContact CE2-CZ 4.29Å; F898-F949 HydrophobicContact CZ-CD1 4.36Å; F898-F949 HydrophobicContact CZ-CE1 4.07Å
899	V	88.4	Confident	84.3	Confident	9 Å²	9	38.9 Å²	38.9	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.4	175.5	-175.9	0	0	0	0	110.1	I892 L893 Y916 F918 Q980	I892-V899 HydrophobicContact CG2-CG2 3.31Å; L893-V899 HydrophobicContact CD2-CB 4.15Å; L893-V899 HydrophobicContact CD2-CG1 3.73Å; V899-Y916 HydrophobicContact CG1-CD1 3.78Å; V899-F918 HydrophobicContact CG1-CE1 4.43Å; V899-F918 HydrophobicContact CG1-CZ 4.44Å; V899-F918 HydrophobicContact CG2-CD1 3.6Å; V899-F918 HydrophobicContact CG2-CE1 3.49Å; V899-F918 VanDerWaalsContact CG2-CE1 3.49Å; V899-F918 HydrophobicContact CG2-CG 4.46Å; V899-F918 HydrophobicContact CG2-CZ 4.26Å; V899-Q980 PolarHBondContact O-NE2 2.95Å
900	K	86.1	Confident	83.9	Confident	121 Å²	121	40.8 Å²	40.8	53%	0.526	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.1	169	-175.6	179	177.8	-179.4	0	108.8	N902 K917	K900-N902 WeakPolarHBondContact CD-OD1 2.96Å; K900-N902 VanDerWaalsContact CE-OD1 3.31Å; K900-N902 WeakPolarHBondContact CE-OD1 3.39Å; K900-K917 PolarHBondContact N-O 3.31Å; K900-K917 PolarHBondContact O-N 3.39Å
901	K	86.6	Confident	83.8	Confident	15 Å²	15	37.8 Å²	37.8	7%	0.065	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.4	166.6	-55.6	-172.5	170.6	-170	0	109.7	Y916 M978 E979 Q980 E982 E984	K901-Y916 HydrophobicContact CD-CE1 4.14Å; K901-Y916 WeakPolarHBondContact CE-OH 3.43Å; K901-Y916 HydrophobicContact CG-CD1 4.1Å; K901-Y916 HydrophobicContact CG-CE1 3.7Å; K901-M978 HydrophobicContact CB-CE 3.27Å; K901-M978 HydrophobicContact CD-CE 3.66Å; K901-M978 HydrophobicContact CD-CG 4.32Å; K901-M978 HydrophobicContact CG-CE 4.1Å; K901-E979 VanDerWaalsContact CE-O 3.27Å; K901-E979 WeakPolarHBondContact CE-O 3.37Å; K901-E979 PolarHBondContact NZ-O 2.91Å; K901-Q980 WeakPolarHBondContact CE-O 3.21Å; K901-E982 WeakPolarHBondContact CE-O 3.16Å; K901-E982 PolarHBondContact NZ-O 3.49Å; K901-E984 IonicContact NZ-OE1 2.79Å; K901-E984 PolarHBondContact NZ-OE1 2.93Å
902	N	82.4	Confident	83.8	Confident	42 Å²	42	38 Å²	38	23%	0.225	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141	179.3	-62.4	-43.3	0	0	0	109.8	K900 S915 K917	K900-N902 WeakPolarHBondContact CD-OD1 2.96Å; K900-N902 VanDerWaalsContact CE-OD1 3.31Å; K900-N902 WeakPolarHBondContact CE-OD1 3.39Å; N902-S915 PolarHBondContact N-O 3.12Å; N902-S915 PolarHBondContact O-N 2.65Å; N902-S915 PolarHBondContact O-OG 3.43Å; N902-K917 VanDerWaalsContact ND2-CB 3.28Å; N902-K917 WeakPolarHBondContact ND2-CB 3Å
903	L	84.1	Confident	83.7	Confident	52 Å²	52	40 Å²	40	27%	0.272	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.1	167.6	-59.9	103.1	0	0	0	109.2	V912 Q913 R914 M978 N1007 P1008	L903-V912 HydrophobicContact CB-CG1 4.38Å; L903-V912 HydrophobicContact CD2-CG1 3.88Å; L903-Q913 CarbonylContact C-O 3.54Å; L903-Q913 WeakPolarHBondContact CA-O 3.31Å; L903-R914 HydrophobicContact CD2-CG 4.27Å; L903-M978 HydrophobicContact CD1-CE 3.92Å; L903-M978 HydrophobicContact CD1-SD 3.59Å; L903-M978 VanDerWaalsContact CD1-SD 3.59Å; L903-M978 HydrophobicContact CD2-SD 3.5Å; L903-M978 VanDerWaalsContact CD2-SD 3.5Å; L903-M978 HydrophobicContact CG-CE 3.97Å; L903-M978 HydrophobicContact CG-SD 3.51Å; L903-M978 VanDerWaalsContact CG-SD 3.51Å; L903-N1007 HydrophobicContact CB-CB 4.13Å; L903-N1007 WeakPolarHBondContact CB-OD1 3.49Å; L903-P1008 WeakPolarHBondContact O-CD 3Å; L903-P1008 VanDerWaalsContact O-CG 3.31Å; L903-P1008 WeakPolarHBondContact O-CG 3.3Å
904	C	84.3	Confident	83.7	Confident	16 Å²	16	40.3 Å²	40.3	11%	0.108	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.2	167.1	68.6	0	0	0	0	110.6	V912 Q913 P1008 C1010	C904-V912 CarbonylContact O-C 3.57Å; C904-V912 VanDerWaalsContact O-CA 3.29Å; C904-V912 WeakPolarHBondContact O-CA 3.44Å; C904-Q913 PolarHBondContact N-O 2.67Å; C904-Q913 PolarHBondContact O-N 3.21Å; C904-P1008 CarbonylContact C-O 3.34Å; C904-P1008 WeakPolarHBondContact CA-O 3.09Å; C904-P1008 HydrophobicContact CB-CG 4.43Å; C904-P1008 VanDerWaalsContact CB-O 3.28Å; C904-P1008 WeakPolarHBondContact CB-O 3.03Å; C904-C1010 HydrophobicContact CB-CB 3.89Å; C904-C1010 WeakPolarHBondContact CB-SG 3.43Å; C904-C1010 PolarHBondContact O-SG 3Å; C904-C1010 VanDerWaalsContact O-SG 3.39Å; C904-C1010 WeakPolarHBondContact SG-CA 3.02Å; C904-C1010 WeakPolarHBondContact SG-CB 3.34Å; C904-C1010 CovalentContact SG-SG 2.05Å; C904-C1010 PolarHBondContact SG-SG 2.9Å
905	N	85.3	Confident	83.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.1	174.6	-67	-12.6	0	0	0	109.5	F907 L991 N1005 N1007 P1008 S1009 C1010	N905-F907 HydrophobicContact CB-CD2 4.36Å; N905-F907 HydrophobicContact CB-CE1 4.37Å; N905-F907 HydrophobicContact CB-CE2 3.69Å; N905-F907 HydrophobicContact CB-CZ 3.69Å; N905-L991 HydrophobicContact CB-CD1 4.26Å; N905-L991 HydrophobicContact CB-CD2 4.35Å; N905-N1005 PolarHBondContact ND2-O 2.02Å; N905-N1007 WeakPolarHBondContact OD1-CB 3.13Å; N905-N1007 PolarHBondContact OD1-ND2 3.12Å; N905-N1007 VanDerWaalsContact OD1-ND2 3.08Å; N905-P1008 PolarHBondContact N-O 2.89Å; N905-S1009 CarbonylContact O-C 3.54Å; N905-S1009 WeakPolarHBondContact O-CA 3.26Å; N905-C1010 PolarHBondContact O-N 3.4Å
906	S	83.5	Confident	83.8	Confident	13 Å²	13	39.4 Å²	39.4	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109.7	167.5	172.3	0	0	0	0	108.1	S908 D909 R910 T911	S906-S908 PolarHBondContact OG-OG 2.96Å; S906-D909 WeakPolarHBondContact CB-OD1 3.35Å; S906-D909 VanDerWaalsContact O-OD1 3.12Å; S906-D909 PolarHBondContact OG-OD1 2.65Å; S906-D909 PolarHBondContact OG-OD2 2.94Å; S906-R910 WeakPolarHBondContact O-CA 3.37Å; S906-R910 PolarHBondContact O-N 3.45Å; S906-R910 VanDerWaalsContact O-N 3.11Å; S906-T911 PolarHBondContact N-O 3.11Å; S906-T911 PolarHBondContact O-N 3.14Å
907	F	79.9	Confident	84.1	Confident	4 Å²	4	38 Å²	38	2%	0.018	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.8	-176.9	-64.6	-81.8	0	0	0	112.7	T549 H553 Y554 N905 L991 L1000	T549-F907 HydrophobicContact CG2-CB 4.22Å; T549-F907 HydrophobicContact CG2-CD1 4.11Å; T549-F907 HydrophobicContact CG2-CG 4.27Å; H553-F907 HydrophobicContact CB-CD1 4.01Å; H553-F907 HydrophobicContact CB-CD2 4.34Å; H553-F907 HydrophobicContact CB-CE1 3.59Å; H553-F907 HydrophobicContact CB-CE2 3.95Å; H553-F907 HydrophobicContact CB-CG 4.38Å; H553-F907 HydrophobicContact CB-CZ 3.56Å; H553-F907 AromaticContact CG-CE1 3.96Å; H553-F907 WeakPolarHBondContact O-CE2 3.39Å; Y554-F907 HydrophobicContact CD1-CD2 4.03Å; Y554-F907 HydrophobicContact CE1-CB 3.74Å; Y554-F907 AromaticContact CE1-CD2 3.91Å; Y554-F907 HydrophobicContact CE1-CD2 3.91Å; Y554-F907 HydrophobicContact CE1-CG 4.2Å; Y554-F907 WeakPolarHBondContact OH-CB 3.22Å; N905-F907 HydrophobicContact CB-CD2 4.36Å; N905-F907 HydrophobicContact CB-CE1 4.37Å; N905-F907 HydrophobicContact CB-CE2 3.69Å; N905-F907 HydrophobicContact CB-CZ 3.69Å; F907-L991 HydrophobicContact CD1-CD2 3.63Å; F907-L991 HydrophobicContact CE1-CD2 3.6Å; F907-L991 HydrophobicContact CG-CD2 4.47Å; F907-L991 HydrophobicContact CZ-CD2 4.42Å; F907-L1000 HydrophobicContact CE1-CD2 4.45Å
908	S	73.3	Confident	84.4	Confident	47 Å²	47	31.4 Å²	31.4	33%	0.329	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-38	175.6	45.7	0	0	0	0	112.8	S906	S906-S908 PolarHBondContact OG-OG 2.96Å
909	D	74.6	Confident	84.3	Confident	74 Å²	74	34.1 Å²	34.1	40%	0.396	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	2.8	-179	63.1	7.8	0	0	0	113.4	S906 T911	S906-D909 WeakPolarHBondContact CB-OD1 3.35Å; S906-D909 VanDerWaalsContact O-OD1 3.12Å; S906-D909 PolarHBondContact OG-OD1 2.65Å; S906-D909 PolarHBondContact OG-OD2 2.94Å; D909-T911 VanDerWaalsContact C-N 3.35Å; D909-T911 HydrophobicContact CB-CG2 4.41Å; D909-T911 VanDerWaalsContact CG-OG1 3.25Å; D909-T911 PolarHBondContact O-N 3.05Å; D909-T911 PolarHBondContact OD1-N 2.78Å; D909-T911 VanDerWaalsContact OD1-N 3.13Å; D909-T911 PolarHBondContact OD1-OG1 2.83Å; D909-T911 PolarHBondContact OD2-OG1 3.17Å
910	R	79.1	Confident	84.1	Confident	44 Å²	44	35 Å²	35	17%	0.166	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	46.3	-176.1	-62.9	-65.9	-158.7	-162.6	-2.5	112.9	E306 L547 S906 L991	E306-R910 VanDerWaalsContact OE1-CG 3.31Å; E306-R910 WeakPolarHBondContact OE1-CG 3.2Å; E306-R910 IonicContact OE1-CZ 3.23Å; E306-R910 IonicContact OE1-NE 2.71Å; E306-R910 PolarHBondContact OE1-NE 3.23Å; E306-R910 IonicContact OE1-NH2 2.82Å; E306-R910 IonicContact OE2-CZ 3Å; E306-R910 IonicContact OE2-NE 3.6Å; E306-R910 PolarHBondContact OE2-NE 2.03Å; E306-R910 IonicContact OE2-NH2 2.62Å; E306-R910 PolarHBondContact OE2-NH2 3.14Å; L547-R910 HydrophobicContact CD1-CG 3.5Å; S906-R910 WeakPolarHBondContact O-CA 3.37Å; S906-R910 PolarHBondContact O-N 3.45Å; S906-R910 VanDerWaalsContact O-N 3.11Å; R910-L991 WeakPolarHBondContact O-CB 3.4Å; R910-L991 PolarHBondContact O-N 2.82Å
911	T	84.9	Confident	83.8	Confident	12 Å²	12	33.3 Å²	33.3	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.8	176.5	67.6	0	0	0	0	113.5	S906 D909 C989	S906-T911 PolarHBondContact N-O 3.11Å; S906-T911 PolarHBondContact O-N 3.14Å; D909-T911 VanDerWaalsContact C-N 3.35Å; D909-T911 HydrophobicContact CB-CG2 4.41Å; D909-T911 VanDerWaalsContact CG-OG1 3.25Å; D909-T911 PolarHBondContact O-N 3.05Å; D909-T911 PolarHBondContact OD1-N 2.78Å; D909-T911 VanDerWaalsContact OD1-N 3.13Å; D909-T911 PolarHBondContact OD1-OG1 2.83Å; D909-T911 PolarHBondContact OD2-OG1 3.17Å; T911-C989 CarbonylContact C-O 3.52Å; T911-C989 WeakPolarHBondContact CA-O 3.45Å; T911-C989 WeakPolarHBondContact CB-O 3.28Å
912	V	87.4	Confident	83.6	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.1	162.6	-177.5	0	0	0	0	106.5	L903 C904 E988 C989 L991	L903-V912 HydrophobicContact CB-CG1 4.38Å; L903-V912 HydrophobicContact CD2-CG1 3.88Å; C904-V912 CarbonylContact O-C 3.57Å; C904-V912 VanDerWaalsContact O-CA 3.29Å; C904-V912 WeakPolarHBondContact O-CA 3.44Å; V912-E988 CarbonylContact O-C 3.51Å; V912-E988 WeakPolarHBondContact O-CA 3.47Å; V912-C989 HydrophobicContact CB-CB 4.21Å; V912-C989 PolarHBondContact N-O 3.05Å; V912-C989 PolarHBondContact O-N 3.24Å; V912-L991 HydrophobicContact CG2-CB 4.17Å; V912-L991 HydrophobicContact CG2-CD1 3.49Å; V912-L991 VanDerWaalsContact CG2-CD1 3.49Å; V912-L991 HydrophobicContact CG2-CG 4.46Å
913	Q	86.8	Confident	83.4	Confident	44 Å²	44	39.2 Å²	39.2	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.4	179.3	-46.2	-175.9	-11.7	0	0	109.9	L903 C904 E988	L903-Q913 CarbonylContact C-O 3.54Å; L903-Q913 WeakPolarHBondContact CA-O 3.31Å; C904-Q913 PolarHBondContact N-O 2.67Å; C904-Q913 PolarHBondContact O-N 3.21Å; Q913-E988 HydrophobicContact CG-CG 4.15Å
914	R	87.6	Confident	83.3	Confident	14 Å²	14	37.9 Å²	37.9	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.1	176.4	-61.7	-176.3	-178.5	-178.1	0.3	109.3	L903 N974 C975 R977 M978 E984 P986 C987	L903-R914 HydrophobicContact CD2-CG 4.27Å; R914-N974 PolarHBondContact NH1-O 3Å; R914-N974 PolarHBondContact NH2-O 2.92Å; R914-C975 PolarHBondContact NH2-O 2.83Å; R914-C975 VanDerWaalsContact NH2-O 3.15Å; R914-R977 PolarHBondContact NH1-O 3.25Å; R914-R977 PolarHBondContact NH2-O 2.87Å; R914-M978 HydrophobicContact CB-CE 4.4Å; R914-M978 VanDerWaalsContact CD-SD 3.53Å; R914-M978 HydrophobicContact CG-CE 4.31Å; R914-M978 HydrophobicContact CG-SD 3.81Å; R914-E984 IonicContact CZ-OE2 2.64Å; R914-E984 IonicContact NH1-OE1 3.86Å; R914-E984 IonicContact NH1-OE2 3.05Å; R914-E984 PolarHBondContact NH1-OE2 2.91Å; R914-P986 WeakPolarHBondContact O-CA 3.14Å; R914-C987 PolarHBondContact N-O 3.17Å; R914-C987 PolarHBondContact O-N 3.44Å
915	S	87.4	Confident	83.3	Confident	47 Å²	47	40.5 Å²	40.5	33%	0.329	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.3	-178.3	60.2	0	0	0	0	111.3	N902	N902-S915 PolarHBondContact N-O 3.12Å; N902-S915 PolarHBondContact O-N 2.65Å; N902-S915 PolarHBondContact O-OG 3.43Å
916	Y	87.6	Confident	83.4	Confident	7 Å²	7	41 Å²	41	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.4	-180	-68.4	-98.5	0	0	0	110.3	R858 H880 L893 V899 K901 E984 P986	R858-Y916 WeakPolarHBondContact CA-O 3.31Å; H880-Y916 AromaticContact CE1-CD2 3.67Å; H880-Y916 AromaticContact CE1-CG 3.89Å; H880-Y916 AromaticContact NE2-CD2 3.87Å; L893-Y916 HydrophobicContact CD2-CD1 4.4Å; L893-Y916 HydrophobicContact CD2-CE1 3.9Å; V899-Y916 HydrophobicContact CG1-CD1 3.78Å; K901-Y916 HydrophobicContact CD-CE1 4.14Å; K901-Y916 WeakPolarHBondContact CE-OH 3.43Å; K901-Y916 HydrophobicContact CG-CD1 4.1Å; K901-Y916 HydrophobicContact CG-CE1 3.7Å; Y916-E984 WeakPolarHBondContact OH-CG 3.42Å; Y916-E984 PolarHBondContact OH-O 3.21Å; Y916-P986 HydrophobicContact CD2-CG 4.03Å; Y916-P986 HydrophobicContact CE2-CG 4.27Å
917	K	87.1	Confident	83.5	Confident	71 Å²	71	43.3 Å²	43.3	31%	0.309	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123	169.5	-175.2	165.5	-172.8	161.6	0	109.9	D857 K900 N902	D857-K917 WeakPolarHBondContact O-CA 3.49Å; K900-K917 PolarHBondContact N-O 3.31Å; K900-K917 PolarHBondContact O-N 3.39Å; N902-K917 VanDerWaalsContact ND2-CB 3.28Å; N902-K917 WeakPolarHBondContact ND2-CB 3Å
918	F	89	Confident	83.6	Confident	9 Å²	9	44.5 Å²	44.5	4%	0.039	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142	-179.6	-65.9	-102.9	0	0	0	109.7	M855 D857 I881 I892 F898 V899 T920 F949	M855-F918 HydrophobicContact CE-CD1 3.75Å; M855-F918 HydrophobicContact CE-CE1 3.86Å; M855-F918 HydrophobicContact CE-CG 4.31Å; D857-F918 WeakPolarHBondContact O-CD2 3.22Å; D857-F918 PolarHBondContact O-N 3.07Å; I881-F918 HydrophobicContact CG2-CZ 4.02Å; I892-F918 HydrophobicContact CG2-CE1 4.03Å; F898-F918 AromaticContact CE1-CD1 3.84Å; F898-F918 HydrophobicContact CE1-CD1 3.84Å; F898-F918 HydrophobicContact CE1-CE1 4.41Å; F898-F918 HydrophobicContact CZ-CD1 4.02Å; V899-F918 HydrophobicContact CG1-CE1 4.43Å; V899-F918 HydrophobicContact CG1-CZ 4.44Å; V899-F918 HydrophobicContact CG2-CD1 3.6Å; V899-F918 HydrophobicContact CG2-CE1 3.49Å; V899-F918 VanDerWaalsContact CG2-CE1 3.49Å; V899-F918 HydrophobicContact CG2-CG 4.46Å; V899-F918 HydrophobicContact CG2-CZ 4.26Å; F918-T920 PolarHBondContact O-N 3.17Å; F918-F949 HydrophobicContact CB-CE2 3.76Å; F918-F949 HydrophobicContact CB-CZ 4.02Å
919	N	85.6	Confident	83.5	Confident	66 Å²	66	46.2 Å²	46.2	35%	0.353	26%	0.261	S	S	.	.			trans	-77.9	106	-175.7	-171.9	-8.7	0	0	0	111.1	N897 F898 S921 L922 F949	N897-N919 PolarHBondContact O-ND2 3.03Å; F898-N919 HydrophobicContact CD2-CB 4.23Å; F898-N919 WeakPolarHBondContact O-CB 2.97Å; F898-N919 PolarHBondContact O-N 2.58Å; N919-S921 PolarHBondContact O-N 2.86Å; N919-S921 WeakPolarHBondContact OD1-CB 3.45Å; N919-S921 PolarHBondContact OD1-N 3.16Å; N919-L922 PolarHBondContact O-N 3.16Å; N919-F949 WeakPolarHBondContact O-CZ 3.17Å
920	T	82.6	Confident	82.8	Confident	29 Å²	29	46 Å²	46	18%	0.178	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-0.9	178.2	59.3	0	0	0	0	113.7	D857 F918 L922 R942 F949	D857-T920 HydrophobicContact CB-CG2 3.74Å; F918-T920 PolarHBondContact O-N 3.17Å; T920-L922 VanDerWaalsContact C-N 3.35Å; T920-R942 WeakPolarHBondContact O-CD 3.01Å; T920-R942 PolarHBondContact O-NE 2.97Å; T920-R942 VanDerWaalsContact O-NE 3.15Å; T920-R942 PolarHBondContact O-NH1 3.4Å; T920-F949 HydrophobicContact CG2-CE2 4.28Å; T920-F949 HydrophobicContact CG2-CZ 4.19Å
921	S	81.8	Confident	81.4	Confident	85 Å²	85	52.6 Å²	52.6	59%	0.594	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	11.3	174	-58.8	0	0	0	0	113.4	N919 V923	N919-S921 PolarHBondContact O-N 2.86Å; N919-S921 WeakPolarHBondContact OD1-CB 3.45Å; N919-S921 PolarHBondContact OD1-N 3.16Å; S921-V923 PolarHBondContact O-N 3.39Å
922	L	81.8	Confident	79.8	Confident	39 Å²	39	54.1 Å²	54.1	20%	0.204	31%	0.313	C	S	.	.			trans	-55.8	128.7	175.6	-177.5	69.3	0	0	0	110.9	F898 N919 T920 L926 F949	F898-L922 HydrophobicContact CD2-CB 4.48Å; F898-L922 HydrophobicContact CD2-CD1 4.28Å; F898-L922 HydrophobicContact CD2-CD2 4.37Å; F898-L922 HydrophobicContact CE2-CB 4.21Å; F898-L922 HydrophobicContact CE2-CD1 4.5Å; F898-L922 HydrophobicContact CE2-CD2 3.79Å; F898-L922 HydrophobicContact CE2-CG 4.39Å; F898-L922 HydrophobicContact CZ-CD2 4.36Å; N919-L922 PolarHBondContact O-N 3.16Å; T920-L922 VanDerWaalsContact C-N 3.35Å; L922-L926 HydrophobicContact CD1-CD1 4.13Å; L922-L926 HydrophobicContact CD2-CB 4.15Å; L922-L926 HydrophobicContact CD2-CD1 4.4Å; L922-F949 HydrophobicContact CB-CE1 4.49Å
923	V	76.9	Confident	78.2	Confident	141 Å²	141	59.8 Å²	59.8	86%	0.855	35%	0.353	S	S	*	.			trans	-116	123.3	173.9	-178	0	0	0	0	107.7	S921	S921-V923 PolarHBondContact O-N 3.39Å
924	G	83.6	Confident	77	Confident	25 Å²	25	61.1 Å²	61.1	26%	0.258	36%	0.359	S	S	.	.	S	Bend	trans	97.6	-172.2	-176.1	0	0	0	0	0	113.5	T941	G924-T941 PolarHBondContact O-OG1 3.41Å
925	D	84.4	Confident	76.2	Confident	70 Å²	70	61.5 Å²	61.5	37%	0.374	36%	0.364	S	S	.	.			trans	-98.1	143.6	173.2	65.4	-43.7	0	0	0	111.3	I55	I55-D925 HydrophobicContact CG2-CB 3.46Å; I55-D925 VanDerWaalsContact CG2-CB 3.46Å
926	L	86.2	Confident	75.6	Confident	11 Å²	11	59.4 Å²	59.4	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.3	177.6	-165.9	140.1	0	0	0	107.6	I892 H895 F898 L922 Y938 R939 L940	I892-L926 HydrophobicContact CG1-CD2 4.16Å; H895-L926 HydrophobicContact CB-CD1 4.21Å; H895-L926 WeakPolarHBondContact NE2-CD2 3.38Å; F898-L926 HydrophobicContact CB-CD1 4.14Å; F898-L926 HydrophobicContact CD1-CD1 3.65Å; F898-L926 HydrophobicContact CD2-CD1 3.98Å; F898-L926 HydrophobicContact CE1-CD1 4.03Å; F898-L926 HydrophobicContact CE2-CD1 4.35Å; F898-L926 HydrophobicContact CG-CD1 3.63Å; F898-L926 HydrophobicContact CZ-CD1 4.38Å; L922-L926 HydrophobicContact CD1-CD1 4.13Å; L922-L926 HydrophobicContact CD2-CB 4.15Å; L922-L926 HydrophobicContact CD2-CD1 4.4Å; L926-Y938 HydrophobicContact CD2-CE2 3.63Å; L926-Y938 WeakPolarHBondContact CD2-OH 2.72Å; L926-R939 CarbonylContact O-C 3.51Å; L926-R939 WeakPolarHBondContact O-CA 3.46Å; L926-L940 HydrophobicContact CB-CB 4.35Å; L926-L940 WeakPolarHBondContact CB-O 3.39Å; L926-L940 PolarHBondContact N-O 3.4Å; L926-L940 PolarHBondContact O-N 2.98Å
927	T	86.6	Confident	75.5	Confident	61 Å²	61	66 Å²	66	37%	0.374	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	166	-177.8	65.4	0	0	0	0	109.9	H895 L929 R939	H895-T927 PolarHBondContact CE1-O 3.01Å; H895-T927 PolarHBondContact NE2-O 3.38Å; T927-L929 PolarHBondContact O-N 3.08Å; T927-R939 HydrophobicContact CG2-CG 4.08Å
928	N	82.3	Confident	75.5	Confident	30 Å²	30	62.9 Å²	62.9	16%	0.16	36%	0.364	C	S	.	.			trans	-43.3	122.3	179.5	-60.9	75.2	0	0	0	113.6	D891 S936 K937 Y938	D891-N928 WeakPolarHBondContact OD2-CA 3.32Å; N928-S936 PolarHBondContact ND2-O 3.47Å; N928-K937 WeakPolarHBondContact OD1-CA 3.39Å; N928-Y938 HydrophobicContact CB-CE1 4.33Å; N928-Y938 PolarHBondContact OD1-N 3.39Å
929	L	71	Confident	75.6	Confident	82 Å²	82	67.1 Å²	67.1	43%	0.429	38%	0.38	S	S	.	.			trans	-82.8	-43.2	-178.6	-168.1	78	0	0	0	112.6	D891 N894 T927	D891-L929 PolarHBondContact OD2-N 3.46Å; D891-L929 VanDerWaalsContact OD2-N 3.15Å; N894-L929 HydrophobicContact CB-CD2 3.98Å; N894-L929 VanDerWaalsContact O-CD2 3.31Å; N894-L929 WeakPolarHBondContact O-CD2 3.44Å; T927-L929 PolarHBondContact O-N 3.08Å
930	V	60.1	Low	75.9	Confident	70 Å²	70	64 Å²	64	42%	0.424	36%	0.363	S	S	.	.	S	Bend	trans	-90.2	131.1	-175.4	-174.6	0	0	0	0	109.3	G932 H934	V930-G932 PolarHBondContact O-N 2.79Å; V930-H934 PolarHBondContact O-CD2 2.91Å; V930-H934 PolarHBondContact O-NE2 3.26Å
931	H	47.9	Very low	76.3	Confident	183 Å²	183	62.9 Å²	62.9	85%	0.847	36%	0.356	S	S	*	.			trans	-93.9	69.4	175.5	-66.7	-14	0	0	0	110.2
932	G	52	Low	76.9	Confident	43 Å²	43	61.1 Å²	61.1	44%	0.443	34%	0.337	S	S	.	.	S	Bend	trans	-111.2	178.1	164.5	0	0	0	0	0	111.3	V930 H934	V930-G932 PolarHBondContact O-N 2.79Å; G932-H934 PolarHBondContact N-NE2 2.81Å; G932-H934 PolarHBondContact O-CD2 3.21Å; G932-H934 PolarHBondContact O-N 2.99Å
933	S	53.5	Low	77.4	Confident	129 Å²	129	59.3 Å²	59.3	90%	0.902	33%	0.327	S	S	*	.			trans	-66.2	76.3	178.9	57.4	0	0	0	0	112.1	C935	S933-C935 PolarHBondContact O-N 3.4Å
934	H	61.2	Low	78.2	Confident	72 Å²	72	54.8 Å²	54.8	33%	0.333	30%	0.3	S	S	.	.			trans	-85.1	113.2	-179.1	-65.8	-71.6	0	0	0	110.2	V930 G932 S936	V930-H934 PolarHBondContact O-CD2 2.91Å; V930-H934 PolarHBondContact O-NE2 3.26Å; G932-H934 PolarHBondContact N-NE2 2.81Å; G932-H934 PolarHBondContact O-CD2 3.21Å; G932-H934 PolarHBondContact O-N 2.99Å; H934-S936 PolarHBondContact O-N 3.23Å
935	C	70.8	Confident	78.5	Confident	21 Å²	21	55 Å²	55	14%	0.142	30%	0.303	C	S	.	.	S	Bend	trans	-61.6	-14.7	169.2	-74.1	0	0	0	0	113.6	S933 E955 T956 C957	S933-C935 PolarHBondContact O-N 3.4Å; C935-E955 CarbonylContact O-C 3.57Å; C935-E955 WeakPolarHBondContact O-CA 3.35Å; C935-T956 PolarHBondContact O-N 2.85Å; C935-T956 PolarHBondContact O-OG1 3.3Å; C935-C957 WeakPolarHBondContact CA-SG 3.32Å; C935-C957 HydrophobicContact CB-CB 3.94Å; C935-C957 WeakPolarHBondContact CB-O 3.4Å; C935-C957 WeakPolarHBondContact CB-SG 3.37Å; C935-C957 WeakPolarHBondContact SG-CB 3.35Å; C935-C957 CovalentContact SG-SG 2.02Å; C935-C957 PolarHBondContact SG-SG 2.79Å
936	S	75.8	Confident	78.8	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.9	-177.2	60.4	0	0	0	0	111.5	L887 N928 H934 N954	L887-S936 WeakPolarHBondContact CB-OG 3.43Å; N928-S936 PolarHBondContact ND2-O 3.47Å; H934-S936 PolarHBondContact O-N 3.23Å; S936-N954 CarbonylContact C-O 3.51Å; S936-N954 WeakPolarHBondContact CA-O 3.5Å
937	K	84.4	Confident	79.1	Confident	146 Å²	146	51.2 Å²	51.2	64%	0.635	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.2	168.5	-68.9	-178.9	-179.8	178	0	108.7	N928 N954	N928-K937 WeakPolarHBondContact OD1-CA 3.39Å; K937-N954 PolarHBondContact N-O 3.21Å; K937-N954 PolarHBondContact O-N 3.16Å
938	Y	88.5	Confident	79.4	Confident	6 Å²	6	48.3 Å²	48.3	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.3	177.4	75.7	-84.3	0	0	0	112.3	V888 D891 I892 H895 L926 N928 L940 I952	V888-Y938 HydrophobicContact CG1-CD1 4.23Å; V888-Y938 HydrophobicContact CG1-CD2 3.97Å; V888-Y938 HydrophobicContact CG1-CE2 4.31Å; V888-Y938 HydrophobicContact CG1-CG 3.93Å; V888-Y938 HydrophobicContact CG2-CD1 4.35Å; V888-Y938 HydrophobicContact CG2-CG 4.3Å; D891-Y938 HydrophobicContact CB-CE1 3.91Å; D891-Y938 WeakPolarHBondContact OD2-CE1 3.41Å; D891-Y938 VanDerWaalsContact OD2-CZ 3.31Å; D891-Y938 PolarHBondContact OD2-OH 2.96Å; I892-Y938 HydrophobicContact CD1-CE2 4.08Å; I892-Y938 HydrophobicContact CG1-CE2 3.69Å; I892-Y938 WeakPolarHBondContact CG1-OH 3.33Å; H895-Y938 PolarHBondContact NE2-OH 3.49Å; H895-Y938 VanDerWaalsContact NE2-OH 3.17Å; L926-Y938 HydrophobicContact CD2-CE2 3.63Å; L926-Y938 WeakPolarHBondContact CD2-OH 2.72Å; N928-Y938 HydrophobicContact CB-CE1 4.33Å; N928-Y938 PolarHBondContact OD1-N 3.39Å; Y938-L940 HydrophobicContact CD2-CB 4.28Å; Y938-L940 HydrophobicContact CE2-CB 4.41Å; Y938-I952 CarbonylContact C-O 3.58Å; Y938-I952 WeakPolarHBondContact CA-O 3.17Å
939	R	89.9	Confident	80	Confident	98 Å²	98	46.9 Å²	46.9	37%	0.37	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131	167	-62	-167.7	176.4	172.5	-3.9	108.2	F53 I55 L926 T927 G951 I952	F53-R939 PolarHBondContact O-NH1 3.11Å; I55-R939 HydrophobicContact CB-CB 4.46Å; I55-R939 HydrophobicContact CD1-CB 3.71Å; I55-R939 WeakPolarHBondContact CD1-O 3.44Å; I55-R939 HydrophobicContact CG2-CB 4.25Å; L926-R939 CarbonylContact O-C 3.51Å; L926-R939 WeakPolarHBondContact O-CA 3.46Å; T927-R939 HydrophobicContact CG2-CG 4.08Å; R939-G951 WeakPolarHBondContact O-CA 3.48Å; R939-I952 PolarHBondContact N-O 2.92Å; R939-I952 PolarHBondContact O-N 3.07Å
940	L	91.7	Very high	81	Confident	1 Å²	1	43 Å²	43	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.5	-179.3	-176.9	79.5	0	0	0	109.6	F853 M855 I892 F898 L926 Y938 F949 V950	F853-L940 HydrophobicContact CE2-CD1 4.11Å; F853-L940 HydrophobicContact CZ-CD1 4.09Å; M855-L940 HydrophobicContact CE-CD1 3.94Å; M855-L940 HydrophobicContact CE-CD2 3.79Å; M855-L940 HydrophobicContact CE-CG 4.45Å; I892-L940 HydrophobicContact CD1-CD2 3.84Å; F898-L940 HydrophobicContact CE1-CD2 3.62Å; F898-L940 HydrophobicContact CZ-CD2 3.51Å; L926-L940 HydrophobicContact CB-CB 4.35Å; L926-L940 WeakPolarHBondContact CB-O 3.39Å; L926-L940 PolarHBondContact N-O 3.4Å; L926-L940 PolarHBondContact O-N 2.98Å; Y938-L940 HydrophobicContact CD2-CB 4.28Å; Y938-L940 HydrophobicContact CE2-CB 4.41Å; L940-F949 HydrophobicContact CD1-CB 4.04Å; L940-F949 HydrophobicContact CG-CB 4.48Å; L940-V950 WeakPolarHBondContact CA-O 3.49Å; L940-V950 WeakPolarHBondContact CD1-O 3.3Å
941	T	92.9	Very high	82.6	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.6	172.2	-166	0	0	0	0	111.3	I55 L56 A59 G924 F949 V950	I55-T941 HydrophobicContact CD1-CG2 4.28Å; I55-T941 HydrophobicContact CG1-CG2 3.92Å; I55-T941 HydrophobicContact CG2-CG2 4.22Å; L56-T941 HydrophobicContact CD2-CG2 4.49Å; L56-T941 WeakPolarHBondContact CD2-OG1 3.36Å; A59-T941 HydrophobicContact CB-CG2 3.45Å; A59-T941 VanDerWaalsContact CB-CG2 3.45Å; G924-T941 PolarHBondContact O-OG1 3.41Å; T941-F949 WeakPolarHBondContact O-CA 3.22Å; T941-V950 HydrophobicContact CG2-CG1 3.82Å; T941-V950 PolarHBondContact N-O 3.48Å; T941-V950 PolarHBondContact O-N 3.02Å
942	R	93	Very high	84.6	Confident	49 Å²	49	31.6 Å²	31.6	19%	0.185	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	141.3	175.9	172.6	174.3	174.3	-144	-1.9	110	T920 P944 T946 F949	T920-R942 WeakPolarHBondContact O-CD 3.01Å; T920-R942 PolarHBondContact O-NE 2.97Å; T920-R942 VanDerWaalsContact O-NE 3.15Å; T920-R942 PolarHBondContact O-NH1 3.4Å; R942-P944 WeakPolarHBondContact O-CD 3Å; R942-T946 PolarHBondContact NE-O 3.3Å; R942-T946 PolarHBondContact NH2-O 2.94Å; R942-F949 HydrophobicContact CB-CD1 3.99Å; R942-F949 HydrophobicContact CB-CE1 3.96Å
943	I	93.4	Very high	86.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.			trans	-78.7	111.7	168.6	-57.4	172.8	0	0	0	108.8	L62 A63 I854 G945 T946 A948 V950	L62-I943 HydrophobicContact CB-CD1 4.44Å; L62-I943 HydrophobicContact CB-CG2 4.21Å; L62-I943 HydrophobicContact CD1-CD1 4.26Å; A63-I943 HydrophobicContact CB-CG2 3.81Å; I854-I943 HydrophobicContact CG2-CD1 4.26Å; I943-G945 PolarHBondContact O-N 2.85Å; I943-T946 HydrophobicContact CB-CG2 4.37Å; I943-T946 WeakPolarHBondContact CB-OG1 2.99Å; I943-T946 HydrophobicContact CG2-CG2 3.85Å; I943-T946 PolarHBondContact O-N 3.07Å; I943-T946 VanDerWaalsContact O-N 3.16Å; I943-T946 PolarHBondContact O-OG1 2.69Å; I943-A948 HydrophobicContact CD1-CB 4.18Å; I943-A948 PolarHBondContact N-O 2.91Å; I943-V950 HydrophobicContact CD1-CB 4.25Å; I943-V950 HydrophobicContact CG1-CB 4.09Å; I943-V950 HydrophobicContact CG1-CG1 4.11Å
944	P	92.4	Very high	87.9	Confident	46 Å²	46	26.5 Å²	26.5	30%	0.299	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	130.7	-171.1	-27.9	36.8	0	0	0	114.4	A63 R67 R942	A63-P944 HydrophobicContact CB-CB 4.24Å; A63-P944 HydrophobicContact CB-CG 4.47Å; A63-P944 VanDerWaalsContact CB-O 3.22Å; A63-P944 WeakPolarHBondContact CB-O 3.35Å; R67-P944 PolarHBondContact NH2-O 2.92Å; R942-P944 WeakPolarHBondContact O-CD 3Å
945	G	89.5	Confident	88.7	Confident	31 Å²	31	25 Å²	25	32%	0.32	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	7.2	-178.2	0	0	0	0	0	114.7	I784 I943	I784-G945 PolarHBondContact N-O 3.09Å; I943-G945 PolarHBondContact O-N 2.85Å
946	T	92.4	Very high	88.9	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-125.7	174	177.5	80	0	0	0	0	111.9	M66 I784 L786 R942 I943 A948	M66-T946 HydrophobicContact CB-CG2 4.15Å; M66-T946 HydrophobicContact CG-CG2 4.3Å; I784-T946 HydrophobicContact CB-CG2 4.14Å; I784-T946 WeakPolarHBondContact O-CA 3.43Å; I784-T946 WeakPolarHBondContact O-CB 3.41Å; L786-T946 HydrophobicContact CD1-CG2 4.41Å; R942-T946 PolarHBondContact NE-O 3.3Å; R942-T946 PolarHBondContact NH2-O 2.94Å; I943-T946 HydrophobicContact CB-CG2 4.37Å; I943-T946 WeakPolarHBondContact CB-OG1 2.99Å; I943-T946 HydrophobicContact CG2-CG2 3.85Å; I943-T946 PolarHBondContact O-N 3.07Å; I943-T946 VanDerWaalsContact O-N 3.16Å; I943-T946 PolarHBondContact O-OG1 2.69Å; T946-A948 PolarHBondContact OG1-N 2.84Å
947	N	91.1	Very high	88.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-89.4	2.2	166.6	71.3	-37.6	0	0	0	113.7	I784 S785 L786 D857	I784-N947 PolarHBondContact O-N 2.83Å; I784-N947 PolarHBondContact O-OD1 3.18Å; S785-N947 WeakPolarHBondContact CA-OD1 3.49Å; L786-N947 PolarHBondContact N-OD1 2.96Å; L786-N947 PolarHBondContact O-ND2 3.42Å; L786-N947 VanDerWaalsContact O-ND2 3.09Å; D857-N947 HydrophobicContact CB-CB 4.39Å; D857-N947 WeakPolarHBondContact CB-O 3.25Å; D857-N947 PolarHBondContact N-O 3.26Å; D857-N947 PolarHBondContact OD1-ND2 3.2Å
948	A	93.4	Very high	87.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.			trans	-100.8	159	-172.1	0	0	0	0	0	113.3	L786 I854 M855 I943 T946	L786-A948 HydrophobicContact CB-CB 4.43Å; L786-A948 HydrophobicContact CD1-CB 4.14Å; L786-A948 HydrophobicContact CD2-CB 3.95Å; L786-A948 HydrophobicContact CG-CB 4.4Å; I854-A948 HydrophobicContact CG2-CB 4.2Å; M855-A948 CarbonylContact O-C 3.24Å; M855-A948 VanDerWaalsContact O-CA 3.31Å; M855-A948 WeakPolarHBondContact O-CA 3.27Å; I943-A948 HydrophobicContact CD1-CB 4.18Å; I943-A948 PolarHBondContact N-O 2.91Å; T946-A948 PolarHBondContact OG1-N 2.84Å
949	F	94	Very high	86.4	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.9	176.2	-58.5	-95.1	0	0	0	110.3	I854 M855 D857 F898 F918 N919 T920 L922 L940 T941 R942	I854-F949 WeakPolarHBondContact CA-O 3.19Å; M855-F949 HydrophobicContact CE-CB 3.89Å; M855-F949 HydrophobicContact CE-CD2 4.06Å; M855-F949 HydrophobicContact CE-CG 4.01Å; M855-F949 HydrophobicContact CG-CB 3.96Å; M855-F949 HydrophobicContact CG-CD2 4.43Å; M855-F949 PolarHBondContact N-O 3.14Å; M855-F949 PolarHBondContact O-N 3.45Å; D857-F949 HydrophobicContact CB-CE2 4.45Å; F898-F949 AromaticContact CE2-CE1 3.83Å; F898-F949 HydrophobicContact CE2-CE1 3.83Å; F898-F949 HydrophobicContact CE2-CZ 4.29Å; F898-F949 HydrophobicContact CZ-CD1 4.36Å; F898-F949 HydrophobicContact CZ-CE1 4.07Å; F918-F949 HydrophobicContact CB-CE2 3.76Å; F918-F949 HydrophobicContact CB-CZ 4.02Å; N919-F949 WeakPolarHBondContact O-CZ 3.17Å; T920-F949 HydrophobicContact CG2-CE2 4.28Å; T920-F949 HydrophobicContact CG2-CZ 4.19Å; L922-F949 HydrophobicContact CB-CE1 4.49Å; L940-F949 HydrophobicContact CD1-CB 4.04Å; L940-F949 HydrophobicContact CG-CB 4.48Å; T941-F949 WeakPolarHBondContact O-CA 3.22Å; R942-F949 HydrophobicContact CB-CD1 3.99Å; R942-F949 HydrophobicContact CB-CE1 3.96Å
950	V	93.9	Very high	85	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132	171	61.2	0	0	0	0	109.1	A59 L62 L835 L839 F853 L940 T941 I943	A59-V950 HydrophobicContact CB-CG1 3.87Å; L62-V950 HydrophobicContact CD1-CB 3.91Å; L62-V950 HydrophobicContact CD1-CG1 4.23Å; L62-V950 HydrophobicContact CD1-CG2 3.68Å; L835-V950 HydrophobicContact CD1-CG2 4.2Å; L839-V950 HydrophobicContact CD2-CG2 4.2Å; F853-V950 WeakPolarHBondContact O-CA 3.36Å; L940-V950 WeakPolarHBondContact CA-O 3.49Å; L940-V950 WeakPolarHBondContact CD1-O 3.3Å; T941-V950 HydrophobicContact CG2-CG1 3.82Å; T941-V950 PolarHBondContact N-O 3.48Å; T941-V950 PolarHBondContact O-N 3.02Å; I943-V950 HydrophobicContact CD1-CB 4.25Å; I943-V950 HydrophobicContact CG1-CB 4.09Å; I943-V950 HydrophobicContact CG1-CG1 4.11Å
951	G	92.4	Very high	83.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143	-179.2	0	0	0	0	0	112.1	C852 F853 R939	C852-G951 WeakPolarHBondContact CA-O 3.34Å; F853-G951 PolarHBondContact N-O 2.81Å; F853-G951 PolarHBondContact O-N 3.45Å; R939-G951 WeakPolarHBondContact O-CA 3.48Å
952	I	90.4	Very high	82.9	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.3	174.7	-57.1	175.7	0	0	0	107.4	F53 I55 L839 I850 Y938 R939	F53-I952 HydrophobicContact CE1-CD1 3.69Å; F53-I952 HydrophobicContact CZ-CD1 3.31Å; I55-I952 HydrophobicContact CD1-CD1 4.11Å; I55-I952 HydrophobicContact CD1-CG1 4.13Å; I55-I952 HydrophobicContact CG1-CD1 4.18Å; L839-I952 HydrophobicContact CD2-CD1 4.28Å; I850-I952 HydrophobicContact CG2-CG2 3.66Å; Y938-I952 CarbonylContact C-O 3.58Å; Y938-I952 WeakPolarHBondContact CA-O 3.17Å; R939-I952 PolarHBondContact N-O 2.92Å; R939-I952 PolarHBondContact O-N 3.07Å
953	V	88.5	Confident	82.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.5	-177.6	-171.5	0	0	0	0	107.8	I850 R851 F853 V888	I850-V953 CarbonylContact C-O 3.56Å; I850-V953 VanDerWaalsContact CA-O 3.29Å; I850-V953 WeakPolarHBondContact CA-O 3.48Å; R851-V953 HydrophobicContact CB-CB 4.42Å; R851-V953 PolarHBondContact N-O 2.8Å; R851-V953 PolarHBondContact O-N 2.97Å; F853-V953 HydrophobicContact CD1-CG2 4.24Å; F853-V953 HydrophobicContact CE1-CG2 3.69Å; V888-V953 HydrophobicContact CG2-CB 4.49Å; V888-V953 HydrophobicContact CG2-CG1 3.88Å; V888-V953 HydrophobicContact CG2-CG2 3.74Å
954	N	86.3	Confident	81.7	Confident	63 Å²	63	47.6 Å²	47.6	34%	0.337	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.5	173.6	-176.2	-7.4	0	0	0	108.4	I850 S936 K937	I850-N954 HydrophobicContact CG1-CB 4.41Å; S936-N954 CarbonylContact C-O 3.51Å; S936-N954 WeakPolarHBondContact CA-O 3.5Å; K937-N954 PolarHBondContact N-O 3.21Å; K937-N954 PolarHBondContact O-N 3.16Å
955	E	77.2	Confident	80.8	Confident	40 Å²	40	45.9 Å²	45.9	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.2	-179	-168.1	174.9	-134.3	0	0	111.2	K849 R851 C935 C957	K849-E955 PolarHBondContact O-N 3.12Å; R851-E955 IonicContact CZ-OE2 3.92Å; R851-E955 IonicContact NE-OE2 3.73Å; R851-E955 IonicContact NH2-OE1 3.75Å; R851-E955 PolarHBondContact NH2-OE1 2.94Å; R851-E955 IonicContact NH2-OE2 3.39Å; R851-E955 PolarHBondContact NH2-OE2 2.82Å; C935-E955 CarbonylContact O-C 3.57Å; C935-E955 WeakPolarHBondContact O-CA 3.35Å; E955-C957 WeakPolarHBondContact CG-O 3.29Å
956	T	75.4	Confident	79.9	Confident	102 Å²	102	46.1 Å²	46.1	63%	0.626	27%	0.265	S	S	*	.			trans	-111.8	-10.1	-175.8	58.2	0	0	0	0	113.3	C935	C935-T956 PolarHBondContact O-N 2.85Å; C935-T956 PolarHBondContact O-OG1 3.3Å
957	C	70.6	Confident	78.6	Confident	58 Å²	58	52.3 Å²	52.3	39%	0.392	30%	0.295	S	S	.	.	S	Bend	trans	-153.5	150.4	174.6	29.4	0	0	0	0	113.3	C935 E955 S959	C935-C957 WeakPolarHBondContact CA-SG 3.32Å; C935-C957 HydrophobicContact CB-CB 3.94Å; C935-C957 WeakPolarHBondContact CB-O 3.4Å; C935-C957 WeakPolarHBondContact CB-SG 3.37Å; C935-C957 WeakPolarHBondContact SG-CB 3.35Å; C935-C957 CovalentContact SG-SG 2.02Å; C935-C957 PolarHBondContact SG-SG 2.79Å; E955-C957 WeakPolarHBondContact CG-O 3.29Å; C957-S959 PolarHBondContact O-N 2.86Å; C957-S959 VanDerWaalsContact O-N 3.13Å
958	D	62.9	Low	77.3	Confident	169 Å²	169	58.9 Å²	58.9	90%	0.904	34%	0.335	S	S	*	.			trans	-72.7	97.9	173.8	-67.9	-28.4	0	0	0	109.8
959	S	63.1	Low	76.3	Confident	58 Å²	58	62.1 Å²	62.1	41%	0.406	35%	0.352	S	S	.	.			trans	-116.2	129.4	176.4	-176.4	0	0	0	0	111.2	C957 A961	C957-S959 PolarHBondContact O-N 2.86Å; C957-S959 VanDerWaalsContact O-N 3.13Å; S959-A961 PolarHBondContact O-N 2.81Å
960	L	61.3	Low	75.5	Confident	182 Å²	182	67.4 Å²	67.4	95%	0.953	37%	0.372	S	S	*	.			trans	-85.8	83.5	177.1	-67.3	167.2	0	0	0	109.6
961	A	67.7	Low	75	Confident	35 Å²	35	70.9 Å²	70.9	29%	0.289	39%	0.391	S	S	.	.			trans	-88.7	138.6	159.9	0	0	0	0	0	110.2	P886 L887 S959	P886-A961 HydrophobicContact CB-CB 4.43Å; P886-A961 WeakPolarHBondContact CG-O 3.44Å; L887-A961 HydrophobicContact CD2-CB 3.32Å; L887-A961 HydrophobicContact CG-CB 3.65Å; S959-A961 PolarHBondContact O-N 2.81Å
962	F	71.4	Confident	74.6	Confident	151 Å²	151	71.7 Å²	71.7	66%	0.662	40%	0.396	S	S	*	.			trans	-126.2	123.5	-179.6	-177.4	-103.7	0	0	0	109.9
963	C	82	Confident	74.3	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.027	42%	0.421	C	S	.	.			trans	-86.3	138.5	162	-61.4	0	0	0	0	108	T882 P886 C965 C983	T882-C963 WeakPolarHBondContact O-CB 3.41Å; T882-C963 PolarHBondContact O-SG 3.33Å; P886-C963 VanDerWaalsContact CB-SG 3.6Å; C963-C965 PolarHBondContact O-N 3.15Å; C963-C965 PolarHBondContact O-SG 2.98Å; C963-C983 HydrophobicContact CB-CB 3.78Å; C963-C983 WeakPolarHBondContact CB-SG 3.08Å; C963-C983 WeakPolarHBondContact SG-CB 3.39Å; C963-C983 CovalentContact SG-SG 2.03Å; C963-C983 PolarHBondContact SG-SG 3.16Å
964	A	79.3	Confident	74.1	Confident	44 Å²	44	80.1 Å²	80.1	36%	0.364	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-63.7	100.4	179.7	0	0	0	0	0	110.4	L973 C983 C985	A964-L973 HydrophobicContact CB-CD1 4.05Å; A964-C983 PolarHBondContact N-O 2.71Å; A964-C985 PolarHBondContact O-N 3.17Å
965	C	73.3	Confident	73.9	Confident	11 Å²	11	79.3 Å²	79.3	7%	0.074	44%	0.439	C	S	.	.			trans	-134.4	134.7	-172.2	-64.7	0	0	0	0	111.4	C963 C985	C963-C965 PolarHBondContact O-N 3.15Å; C963-C965 PolarHBondContact O-SG 2.98Å; C965-C985 HydrophobicContact CB-CB 3.8Å; C965-C985 WeakPolarHBondContact CB-SG 3.35Å; C965-C985 WeakPolarHBondContact SG-CB 3.31Å; C965-C985 CovalentContact SG-SG 2.03Å; C965-C985 PolarHBondContact SG-SG 3.18Å
966	S	71.6	Confident	74	Confident	36 Å²	36	84.1 Å²	84.1	25%	0.252	46%	0.461	S	S	.	.			trans	-77.1	133.5	164.1	179.6	0	0	0	0	109.1	D969 L971	S966-D969 VanDerWaalsContact CB-O 3.22Å; S966-D969 WeakPolarHBondContact CB-O 3.46Å; S966-D969 VanDerWaalsContact CB-OD1 3.32Å; S966-D969 WeakPolarHBondContact CB-OD1 3.35Å; S966-D969 PolarHBondContact OG-N 2.83Å; S966-D969 PolarHBondContact OG-O 2.73Å; S966-D969 PolarHBondContact OG-OD1 3.33Å; S966-L971 WeakPolarHBondContact CB-O 3.49Å
967	M	65.1	Low	74.1	Confident	130 Å²	130	85.2 Å²	85.2	64%	0.64	45%	0.454	S	S	*	.	S	Bend	trans	-93.6	-4.6	-179.7	-62.1	-66.3	-74.1	0	0	112.7	H883	H883-M967 WeakPolarHBondContact NE2-CE 3.48Å
968	V	64.1	Low	74.6	Confident	138 Å²	138	84.6 Å²	84.6	84%	0.836	45%	0.446	S	S	*	.	S	Bend	trans	-125.5	-34.4	-168.9	-174.5	0	0	0	0	112.3
969	D	71.8	Confident	75.6	Confident	69 Å²	69	80.4 Å²	80.4	37%	0.369	42%	0.421	S	S	.	.	S	Bend	trans	-137.6	176.6	-178.7	62.8	20.2	0	0	0	111.5	S966 L971	S966-D969 VanDerWaalsContact CB-O 3.22Å; S966-D969 WeakPolarHBondContact CB-O 3.46Å; S966-D969 VanDerWaalsContact CB-OD1 3.32Å; S966-D969 WeakPolarHBondContact CB-OD1 3.35Å; S966-D969 PolarHBondContact OG-N 2.83Å; S966-D969 PolarHBondContact OG-O 2.73Å; S966-D969 PolarHBondContact OG-OD1 3.33Å; D969-L971 PolarHBondContact O-N 2.89Å; D969-L971 WeakPolarHBondContact OD1-CB 3.04Å; D969-L971 PolarHBondContact OD1-N 2.83Å; D969-L971 VanDerWaalsContact OD1-N 3.07Å; D969-L971 VanDerWaalsContact OD2-CD1 3.29Å; D969-L971 WeakPolarHBondContact OD2-CD1 3.33Å
970	R	77.3	Confident	76.6	Confident	110 Å²	110	81.2 Å²	81.2	42%	0.415	42%	0.418	S	S	.	.	S	Bend	trans	-85.6	9.6	176.2	-64.1	-176.1	177.2	-164.1	-2.6	112.5	C987 E988	R970-C987 CarbonylContact O-C 3.57Å; R970-C987 WeakPolarHBondContact O-CA 3.22Å; R970-C987 VanDerWaalsContact O-CB 3.27Å; R970-C987 WeakPolarHBondContact O-CB 3.42Å; R970-E988 HydrophobicContact CB-CG 4.19Å; R970-E988 WeakPolarHBondContact CD-OE1 3.45Å; R970-E988 PolarHBondContact O-N 3Å
971	L	83.3	Confident	77.7	Confident	74 Å²	74	76.7 Å²	76.7	39%	0.387	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-75.7	135.7	-175.8	-64.8	177.6	0	0	0	110.8	S966 D969 E988	S966-L971 WeakPolarHBondContact CB-O 3.49Å; D969-L971 PolarHBondContact O-N 2.89Å; D969-L971 WeakPolarHBondContact OD1-CB 3.04Å; D969-L971 PolarHBondContact OD1-N 2.83Å; D969-L971 VanDerWaalsContact OD1-N 3.07Å; D969-L971 VanDerWaalsContact OD2-CD1 3.29Å; D969-L971 WeakPolarHBondContact OD2-CD1 3.33Å; L971-E988 WeakPolarHBondContact CA-O 3.46Å
972	C	85.3	Confident	78.5	Confident	17 Å²	17	78.5 Å²	78.5	12%	0.115	40%	0.398	C	S	.	.			trans	-69.7	139.3	173.6	-56.9	0	0	0	0	110.6	N974 C987 E988 C989	C972-N974 VanDerWaalsContact C-N 3.29Å; C972-N974 PolarHBondContact O-N 3.34Å; C972-C987 WeakPolarHBondContact CA-SG 3.29Å; C972-C987 HydrophobicContact CB-CB 3.87Å; C972-C987 WeakPolarHBondContact CB-SG 2.84Å; C972-C987 WeakPolarHBondContact SG-CB 3.19Å; C972-C987 CovalentContact SG-SG 2.02Å; C972-C987 PolarHBondContact SG-SG 3.5Å; C972-E988 PolarHBondContact N-O 3.03Å; C972-E988 PolarHBondContact SG-N 3.3Å; C972-C989 WeakPolarHBondContact CB-SG 3.24Å; C972-C989 PolarHBondContact SG-SG 2.84Å
973	L	83.3	Confident	79.2	Confident	113 Å²	113	72 Å²	72	59%	0.592	37%	0.371	S	S	*	.	S	Bend	trans	-68	-29.9	173.4	-65.5	179.1	0	0	0	112.4	A964	A964-L973 HydrophobicContact CB-CD1 4.05Å
974	N	84.3	Confident	79.5	Confident	78 Å²	78	72.8 Å²	72.8	42%	0.417	37%	0.374	S	S	.	.			trans	-136.7	111.1	176.1	-176.3	-2.2	0	0	0	111.7	R914 C972 H976	R914-N974 PolarHBondContact NH1-O 3Å; R914-N974 PolarHBondContact NH2-O 2.92Å; C972-N974 VanDerWaalsContact C-N 3.29Å; C972-N974 PolarHBondContact O-N 3.34Å; N974-H976 PolarHBondContact OD1-N 3.04Å
975	C	82.9	Confident	79.8	Confident	47 Å²	47	71.4 Å²	71.4	32%	0.318	36%	0.362	S	S	.	.	S	Bend	trans	-89.8	-10.9	-179.2	-72.2	0	0	0	0	115.3	R914 C989	R914-C975 PolarHBondContact NH2-O 2.83Å; R914-C975 VanDerWaalsContact NH2-O 3.15Å; C975-C989 WeakPolarHBondContact CA-SG 3.5Å; C975-C989 HydrophobicContact CB-CB 3.77Å; C975-C989 WeakPolarHBondContact CB-SG 3.47Å; C975-C989 VanDerWaalsContact SG-CA 3.52Å; C975-C989 WeakPolarHBondContact SG-CB 3.37Å; C975-C989 CovalentContact SG-SG 2.04Å; C975-C989 PolarHBondContact SG-SG 3.47Å
976	H	77.5	Confident	80.4	Confident	140 Å²	140	72.3 Å²	72.3	65%	0.648	37%	0.367	S	S	*	.	S	Bend	trans	-95.2	-19.1	-172.3	-62.7	-63.6	0	0	0	114.2	N974	N974-H976 PolarHBondContact OD1-N 3.04Å
977	R	77.5	Confident	81.2	Confident	125 Å²	125	71.2 Å²	71.2	47%	0.472	36%	0.359	S	S	.	.			trans	-133.2	140.8	-178.8	-172	173.6	174.1	-156.7	-15.4	109.8	R914 E979 E982	R914-R977 PolarHBondContact NH1-O 3.25Å; R914-R977 PolarHBondContact NH2-O 2.87Å; R977-E979 HydrophobicContact CG-CG 4.06Å; R977-E979 IonicContact CZ-OE1 3.48Å; R977-E979 IonicContact CZ-OE2 2.73Å; R977-E979 VanDerWaalsContact NE-CD 3.27Å; R977-E979 IonicContact NE-OE1 3.77Å; R977-E979 PolarHBondContact NE-OE1 3.38Å; R977-E979 IonicContact NE-OE2 3.29Å; R977-E979 IonicContact NH2-OE1 4Å; R977-E979 PolarHBondContact NH2-OE1 3.18Å; R977-E979 IonicContact NH2-OE2 2.61Å; R977-E979 PolarHBondContact NH2-OE2 3.23Å; R977-E982 IonicContact CZ-OE1 3.77Å; R977-E982 VanDerWaalsContact CZ-OE1 3.27Å; R977-E982 IonicContact NE-OE1 2.99Å; R977-E982 IonicContact NH1-OE1 3.61Å; R977-E982 IonicContact NH2-OE1 3.7Å; R977-E982 PolarHBondContact NH2-OE1 3.29Å
978	M	81.4	Confident	82.3	Confident	46 Å²	46	66.2 Å²	66.2	23%	0.227	33%	0.334	C	S	.	.			trans	-148	90.7	177.1	179.8	170.3	173.6	0	0	108.7	K901 L903 R914 E984	K901-M978 HydrophobicContact CB-CE 3.27Å; K901-M978 HydrophobicContact CD-CE 3.66Å; K901-M978 HydrophobicContact CD-CG 4.32Å; K901-M978 HydrophobicContact CG-CE 4.1Å; L903-M978 HydrophobicContact CD1-CE 3.92Å; L903-M978 HydrophobicContact CD1-SD 3.59Å; L903-M978 VanDerWaalsContact CD1-SD 3.59Å; L903-M978 HydrophobicContact CD2-SD 3.5Å; L903-M978 VanDerWaalsContact CD2-SD 3.5Å; L903-M978 HydrophobicContact CG-CE 3.97Å; L903-M978 HydrophobicContact CG-SD 3.51Å; L903-M978 VanDerWaalsContact CG-SD 3.51Å; R914-M978 HydrophobicContact CB-CE 4.4Å; R914-M978 VanDerWaalsContact CD-SD 3.53Å; R914-M978 HydrophobicContact CG-CE 4.31Å; R914-M978 HydrophobicContact CG-SD 3.81Å; M978-E984 WeakPolarHBondContact CG-OE1 3.25Å
979	E	83.9	Confident	83.5	Confident	80 Å²	80	59.9 Å²	59.9	37%	0.374	30%	0.296	S	S	.	.			trans	-88.2	148.2	176.2	-59.9	-162.8	161	0	0	111.2	K901 R977 N981 E982	K901-E979 VanDerWaalsContact CE-O 3.27Å; K901-E979 WeakPolarHBondContact CE-O 3.37Å; K901-E979 PolarHBondContact NZ-O 2.91Å; R977-E979 HydrophobicContact CG-CG 4.06Å; R977-E979 IonicContact CZ-OE1 3.48Å; R977-E979 IonicContact CZ-OE2 2.73Å; R977-E979 VanDerWaalsContact NE-CD 3.27Å; R977-E979 IonicContact NE-OE1 3.77Å; R977-E979 PolarHBondContact NE-OE1 3.38Å; R977-E979 IonicContact NE-OE2 3.29Å; R977-E979 IonicContact NH2-OE1 4Å; R977-E979 PolarHBondContact NH2-OE1 3.18Å; R977-E979 IonicContact NH2-OE2 2.61Å; R977-E979 PolarHBondContact NH2-OE2 3.23Å; E979-N981 VanDerWaalsContact C-N 3.27Å; E979-N981 PolarHBondContact O-N 3.14Å; E979-E982 HydrophobicContact CB-CB 4.13Å; E979-E982 HydrophobicContact CB-CG 3.84Å; E979-E982 HydrophobicContact CG-CG 4.38Å; E979-E982 PolarHBondContact O-N 3.49Å
980	Q	84.1	Confident	84.2	Confident	76 Å²	76	60.9 Å²	60.9	36%	0.355	31%	0.307	S	S	.	.	S	Bend	trans	-62.3	-35.4	-179	180	59	39.1	0	0	112.3	V899 K901	V899-Q980 PolarHBondContact O-NE2 2.95Å; K901-Q980 WeakPolarHBondContact CE-O 3.21Å
981	N	84.3	Confident	84.5	Confident	87 Å²	87	56.2 Å²	56.2	47%	0.465	29%	0.29	S	S	.	.	S	Bend	trans	-92.6	-14.3	-174.5	-60.5	15.4	0	0	0	113.5	N894 E979	N894-N981 PolarHBondContact OD1-ND2 3Å; E979-N981 VanDerWaalsContact C-N 3.27Å; E979-N981 PolarHBondContact O-N 3.14Å
982	E	85.4	Confident	84.3	Confident	73 Å²	73	56.4 Å²	56.4	34%	0.341	29%	0.289	S	S	.	.	S	Bend	trans	-77.2	129.3	178.6	-74.5	177.1	171	0	0	110.1	K901 R977 E979	K901-E982 WeakPolarHBondContact CE-O 3.16Å; K901-E982 PolarHBondContact NZ-O 3.49Å; R977-E982 IonicContact CZ-OE1 3.77Å; R977-E982 VanDerWaalsContact CZ-OE1 3.27Å; R977-E982 IonicContact NE-OE1 2.99Å; R977-E982 IonicContact NH1-OE1 3.61Å; R977-E982 IonicContact NH2-OE1 3.7Å; R977-E982 PolarHBondContact NH2-OE1 3.29Å; E979-E982 HydrophobicContact CB-CB 4.13Å; E979-E982 HydrophobicContact CB-CG 3.84Å; E979-E982 HydrophobicContact CG-CG 4.38Å; E979-E982 PolarHBondContact O-N 3.49Å
983	C	86.2	Confident	83.9	Confident	15 Å²	15	56.9 Å²	56.9	10%	0.101	29%	0.291	C	S	.	.			trans	-80	127.1	177.8	-165.6	0	0	0	0	112.6	N890 L893 C963 A964	N890-C983 HydrophobicContact CB-CB 4.32Å; L893-C983 HydrophobicContact CD1-CB 3.95Å; C963-C983 HydrophobicContact CB-CB 3.78Å; C963-C983 WeakPolarHBondContact CB-SG 3.08Å; C963-C983 WeakPolarHBondContact SG-CB 3.39Å; C963-C983 CovalentContact SG-SG 2.03Å; C963-C983 PolarHBondContact SG-SG 3.16Å; A964-C983 PolarHBondContact N-O 2.71Å
984	E	87.1	Confident	83.6	Confident	20 Å²	20	53.9 Å²	53.9	9%	0.093	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-143.2	162.5	175.7	64.2	-172.8	152.3	0	0	109.6	T882 K901 R914 Y916 M978	T882-E984 WeakPolarHBondContact CB-O 3.14Å; T882-E984 VanDerWaalsContact CG2-O 3.32Å; T882-E984 WeakPolarHBondContact CG2-O 3.17Å; K901-E984 IonicContact NZ-OE1 2.79Å; K901-E984 PolarHBondContact NZ-OE1 2.93Å; R914-E984 IonicContact CZ-OE2 2.64Å; R914-E984 IonicContact NH1-OE1 3.86Å; R914-E984 IonicContact NH1-OE2 3.05Å; R914-E984 PolarHBondContact NH1-OE2 2.91Å; Y916-E984 WeakPolarHBondContact OH-CG 3.42Å; Y916-E984 PolarHBondContact OH-O 3.21Å; M978-E984 WeakPolarHBondContact CG-OE1 3.25Å
985	C	85.4	Confident	83.2	Confident	15 Å²	15	52.3 Å²	52.3	10%	0.101	27%	0.266	C	S	.	.			trans	-84.5	156.4	172.6	-79.8	0	0	0	0	112	T882 A964 C965 C987	T882-C985 PolarHBondContact OG1-SG 2.96Å; T882-C985 VanDerWaalsContact OG1-SG 3.4Å; A964-C985 PolarHBondContact O-N 3.17Å; C965-C985 HydrophobicContact CB-CB 3.8Å; C965-C985 WeakPolarHBondContact CB-SG 3.35Å; C965-C985 WeakPolarHBondContact SG-CB 3.31Å; C965-C985 CovalentContact SG-SG 2.03Å; C965-C985 PolarHBondContact SG-SG 3.18Å; C985-C987 PolarHBondContact O-N 3.29Å; C985-C987 PolarHBondContact O-SG 3.16Å
986	P	87.8	Confident	82.7	Confident	29 Å²	29	50.5 Å²	50.5	19%	0.188	25%	0.254	C	S	.	.	S	Bend	trans	-52.2	127.6	162.9	-20.3	29.7	0	0	0	109.9	H880 R914 Y916	H880-P986 HydrophobicContact CB-CG 4.08Å; R914-P986 WeakPolarHBondContact O-CA 3.14Å; Y916-P986 HydrophobicContact CD2-CG 4.03Å; Y916-P986 HydrophobicContact CE2-CG 4.27Å
987	C	88	Confident	82.5	Confident	13 Å²	13	47.2 Å²	47.2	9%	0.088	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	170.8	-170.5	63.9	0	0	0	0	111.9	R914 R970 C972 C985	R914-C987 PolarHBondContact N-O 3.17Å; R914-C987 PolarHBondContact O-N 3.44Å; R970-C987 CarbonylContact O-C 3.57Å; R970-C987 WeakPolarHBondContact O-CA 3.22Å; R970-C987 VanDerWaalsContact O-CB 3.27Å; R970-C987 WeakPolarHBondContact O-CB 3.42Å; C972-C987 WeakPolarHBondContact CA-SG 3.29Å; C972-C987 HydrophobicContact CB-CB 3.87Å; C972-C987 WeakPolarHBondContact CB-SG 2.84Å; C972-C987 WeakPolarHBondContact SG-CB 3.19Å; C972-C987 CovalentContact SG-SG 2.02Å; C972-C987 PolarHBondContact SG-SG 3.5Å; C985-C987 PolarHBondContact O-N 3.29Å; C985-C987 PolarHBondContact O-SG 3.16Å
988	E	88.4	Confident	82.2	Confident	25 Å²	25	42.9 Å²	42.9	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.4	-174.2	-59.3	173.6	-171.7	0	0	109.6	V912 Q913 R970 L971 C972	V912-E988 CarbonylContact O-C 3.51Å; V912-E988 WeakPolarHBondContact O-CA 3.47Å; Q913-E988 HydrophobicContact CG-CG 4.15Å; R970-E988 HydrophobicContact CB-CG 4.19Å; R970-E988 WeakPolarHBondContact CD-OE1 3.45Å; R970-E988 PolarHBondContact O-N 3Å; L971-E988 WeakPolarHBondContact CA-O 3.46Å; C972-E988 PolarHBondContact N-O 3.03Å; C972-E988 PolarHBondContact SG-N 3.3Å
989	C	88.3	Confident	81.8	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.034	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.9	176.4	-80.5	0	0	0	0	110.6	T911 V912 C972 C975	T911-C989 CarbonylContact C-O 3.52Å; T911-C989 WeakPolarHBondContact CA-O 3.45Å; T911-C989 WeakPolarHBondContact CB-O 3.28Å; V912-C989 HydrophobicContact CB-CB 4.21Å; V912-C989 PolarHBondContact N-O 3.05Å; V912-C989 PolarHBondContact O-N 3.24Å; C972-C989 WeakPolarHBondContact CB-SG 3.24Å; C972-C989 PolarHBondContact SG-SG 2.84Å; C975-C989 WeakPolarHBondContact CA-SG 3.5Å; C975-C989 HydrophobicContact CB-CB 3.77Å; C975-C989 WeakPolarHBondContact CB-SG 3.47Å; C975-C989 VanDerWaalsContact SG-CA 3.52Å; C975-C989 WeakPolarHBondContact SG-CB 3.37Å; C975-C989 CovalentContact SG-SG 2.04Å; C975-C989 PolarHBondContact SG-SG 3.47Å
990	P	86.5	Confident	81.4	Confident	91 Å²	91	41.5 Å²	41.5	59%	0.591	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.1	171.3	26.8	-31.2	0	0	0	111
991	L	84	Confident	80.8	Confident	12 Å²	12	41 Å²	41	6%	0.063	24%	0.235	C	C	.	.			trans	-84.9	114.9	176.1	-177.6	68.9	0	0	0	110.3	N905 F907 R910 V912 V993 L1000	N905-L991 HydrophobicContact CB-CD1 4.26Å; N905-L991 HydrophobicContact CB-CD2 4.35Å; F907-L991 HydrophobicContact CD1-CD2 3.63Å; F907-L991 HydrophobicContact CE1-CD2 3.6Å; F907-L991 HydrophobicContact CG-CD2 4.47Å; F907-L991 HydrophobicContact CZ-CD2 4.42Å; R910-L991 WeakPolarHBondContact O-CB 3.4Å; R910-L991 PolarHBondContact O-N 2.82Å; V912-L991 HydrophobicContact CG2-CB 4.17Å; V912-L991 HydrophobicContact CG2-CD1 3.49Å; V912-L991 VanDerWaalsContact CG2-CD1 3.49Å; V912-L991 HydrophobicContact CG2-CG 4.46Å; L991-V993 HydrophobicContact CG-CG1 4.45Å; L991-L1000 HydrophobicContact CD1-CD2 3.65Å; L991-L1000 HydrophobicContact CD2-CD2 4.33Å; L991-L1000 HydrophobicContact CG-CD2 4.07Å
992	E	79.3	Confident	79.9	Confident	78 Å²	78	40.5 Å²	40.5	36%	0.364	23%	0.233	S	C	.	.			trans	-84.5	116.5	178	-65.2	-176.6	-176.7	0	0	111.9	T1001	E992-T1001 HydrophobicContact CB-CG2 4.29Å; E992-T1001 VanDerWaalsContact CB-OG1 3.28Å; E992-T1001 WeakPolarHBondContact CB-OG1 3.24Å; E992-T1001 PolarHBondContact O-N 2.95Å; E992-T1001 PolarHBondContact O-OG1 3.23Å
993	V	76	Confident	78.8	Confident	26 Å²	26	40.9 Å²	40.9	16%	0.158	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-120.2	141.6	175.4	-76.6	0	0	0	0	110.6	L991 E995 L1000	L991-V993 HydrophobicContact CG-CG1 4.45Å; V993-E995 PolarHBondContact O-N 2.72Å; V993-L1000 HydrophobicContact CG1-CD2 3.84Å
994	N	77	Confident	77.5	Confident	50 Å²	50	48.4 Å²	48.4	27%	0.267	28%	0.282	S	S	.	.			trans	-75.3	103.7	169.7	-176.5	-38.4	0	0	0	108.4	C295 C996 T997 G998 N999 T1001	C295-N994 VanDerWaalsContact CB-OD1 3.23Å; C295-N994 WeakPolarHBondContact CB-OD1 3.35Å; C295-N994 PolarHBondContact SG-OD1 3.33Å; C295-N994 VanDerWaalsContact SG-OD1 3.42Å; N994-C996 PolarHBondContact O-N 3.12Å; N994-C996 PolarHBondContact OD1-N 3.02Å; N994-C996 VanDerWaalsContact OD1-N 3.09Å; N994-T997 WeakPolarHBondContact CB-OG1 3.42Å; N994-T997 PolarHBondContact O-N 3.35Å; N994-T997 VanDerWaalsContact O-N 3.15Å; N994-T997 PolarHBondContact OD1-N 3.3Å; N994-G998 WeakPolarHBondContact O-CA 3.45Å; N994-G998 PolarHBondContact O-N 2.03Å; N994-N999 VanDerWaalsContact CB-O 3.3Å; N994-N999 WeakPolarHBondContact CB-O 3.38Å; N994-N999 PolarHBondContact N-O 3.26Å; N994-T1001 HydrophobicContact CB-CG2 4.29Å
995	E	75.6	Confident	76.4	Confident	45 Å²	45	49.1 Å²	49.1	21%	0.21	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.9	-174.2	-65	166.1	168.1	0	0	113.7	Y296 K310 V993	Y296-E995 HydrophobicContact CE2-CB 4.31Å; Y296-E995 WeakPolarHBondContact CE2-OE2 3.35Å; Y296-E995 WeakPolarHBondContact OH-CB 3.38Å; Y296-E995 PolarHBondContact OH-OE2 3.02Å; K310-E995 WeakPolarHBondContact CD-OE2 3.43Å; K310-E995 WeakPolarHBondContact CE-OE2 3.26Å; K310-E995 IonicContact NZ-OE1 3.08Å; K310-E995 PolarHBondContact NZ-OE1 3.3Å; K310-E995 IonicContact NZ-OE2 2.78Å; K310-E995 PolarHBondContact NZ-OE2 3.32Å; V993-E995 PolarHBondContact O-N 2.72Å
996	C	73.7	Confident	75.6	Confident	10 Å²	10	55.9 Å²	55.9	7%	0.068	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-34.1	176.3	-60.7	0	0	0	0	113.9	C295 P302 N994	C295-C996 VanDerWaalsContact CA-SG 3.59Å; C295-C996 HydrophobicContact CB-CB 3.63Å; C295-C996 WeakPolarHBondContact CB-SG 3.48Å; C295-C996 PolarHBondContact O-SG 2.93Å; C295-C996 WeakPolarHBondContact SG-CB 3.12Å; C295-C996 PolarHBondContact SG-N 2.83Å; C295-C996 CovalentContact SG-SG 2.02Å; C295-C996 PolarHBondContact SG-SG 3.23Å; P302-C996 VanDerWaalsContact CD-O 3.29Å; P302-C996 WeakPolarHBondContact CD-O 3.38Å; N994-C996 PolarHBondContact O-N 3.12Å; N994-C996 PolarHBondContact OD1-N 3.02Å; N994-C996 VanDerWaalsContact OD1-N 3.09Å
997	T	72.5	Confident	75.1	Confident	71 Å²	71	55.3 Å²	55.3	44%	0.436	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-12.9	-177.1	59.5	0	0	0	0	112.5	N994 N999	N994-T997 WeakPolarHBondContact CB-OG1 3.42Å; N994-T997 PolarHBondContact O-N 3.35Å; N994-T997 VanDerWaalsContact O-N 3.15Å; N994-T997 PolarHBondContact OD1-N 3.3Å; T997-N999 PolarHBondContact O-N 3.07Å; T997-N999 VanDerWaalsContact O-N 3.11Å; T997-N999 PolarHBondContact OG1-N 2.98Å
998	G	70.6	Confident	74.5	Confident	33 Å²	33	56.4 Å²	56.4	34%	0.34	31%	0.312	S	S	.	.			trans	72.5	-15.1	-168.3	0	0	0	0	0	113.4	H553 N994	H553-G998 PolarHBondContact CE1-O 3.3Å; H553-G998 VanDerWaalsContact CE1-O 3.24Å; H553-G998 PolarHBondContact NE2-O 2.88Å; N994-G998 WeakPolarHBondContact O-CA 3.45Å; N994-G998 PolarHBondContact O-N 2.03Å
999	N	74.6	Confident	74.1	Confident	72 Å²	72	55.5 Å²	55.5	39%	0.385	31%	0.309	S	S	.	.	S	Bend	trans	-73	149	-175.1	-70.9	-27.8	0	0	0	112.4	N994 T997 T1001	N994-N999 VanDerWaalsContact CB-O 3.3Å; N994-N999 WeakPolarHBondContact CB-O 3.38Å; N994-N999 PolarHBondContact N-O 3.26Å; T997-N999 PolarHBondContact O-N 3.07Å; T997-N999 VanDerWaalsContact O-N 3.11Å; T997-N999 PolarHBondContact OG1-N 2.98Å; N999-T1001 PolarHBondContact O-N 3.14Å
1000	L	74.5	Confident	73.6	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-58	135.9	170.2	-64.4	164	0	0	0	110.3	F907 L991 V993 N1002 N1005 R1006	F907-L1000 HydrophobicContact CE1-CD2 4.45Å; L991-L1000 HydrophobicContact CD1-CD2 3.65Å; L991-L1000 HydrophobicContact CD2-CD2 4.33Å; L991-L1000 HydrophobicContact CG-CD2 4.07Å; V993-L1000 HydrophobicContact CG1-CD2 3.84Å; L1000-N1002 VanDerWaalsContact C-N 3.34Å; L1000-N1005 WeakPolarHBondContact CD1-O 3.48Å; L1000-R1006 HydrophobicContact CD1-CB 4.49Å; L1000-R1006 HydrophobicContact CD1-CG 3.87Å
1001	T	71	Confident	72.7	Confident	64 Å²	64	55.1 Å²	55.1	39%	0.393	30%	0.299	S	S	.	.	S	Bend	trans	-64.3	-40.5	-178.1	50.1	0	0	0	0	111.9	E992 N994 N999	E992-T1001 HydrophobicContact CB-CG2 4.29Å; E992-T1001 VanDerWaalsContact CB-OG1 3.28Å; E992-T1001 WeakPolarHBondContact CB-OG1 3.24Å; E992-T1001 PolarHBondContact O-N 2.95Å; E992-T1001 PolarHBondContact O-OG1 3.23Å; N994-T1001 HydrophobicContact CB-CG2 4.29Å; N999-T1001 PolarHBondContact O-N 3.14Å
1002	N	66.8	Low	71.8	Confident	78 Å²	78	55.6 Å²	55.6	42%	0.417	30%	0.303	S	S	.	.	S	Bend	trans	-109.7	130.5	179	-60.6	-27.1	0	0	0	109.9	L1000 E1004 N1005	L1000-N1002 VanDerWaalsContact C-N 3.34Å; N1002-E1004 PolarHBondContact O-N 3.4Å; N1002-N1005 HydrophobicContact CB-CB 4.43Å; N1002-N1005 WeakPolarHBondContact O-CB 3.37Å; N1002-N1005 PolarHBondContact O-N 2.78Å
1003	A	60.7	Low	71	Confident	80 Å²	80	57.7 Å²	57.7	66%	0.661	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.7	-28.2	174.7	0	0	0	0	0	112.2	N1005 R1006	A1003-N1005 PolarHBondContact O-N 3.43Å; A1003-R1006 WeakPolarHBondContact O-CB 3.4Å; A1003-R1006 WeakPolarHBondContact O-CG 3.24Å; A1003-R1006 PolarHBondContact O-N 3.07Å
1004	E	59.7	Low	70.5	Confident	173 Å²	173	59.8 Å²	59.8	81%	0.808	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.3	174.4	-63.1	180	179	0	0	113.1	N1002 R1006	N1002-E1004 PolarHBondContact O-N 3.4Å; E1004-R1006 PolarHBondContact O-N 3.17Å
1005	N	63.3	Low	70.3	Confident	36 Å²	36	58.1 Å²	58.1	19%	0.193	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-84.6	7.8	176.3	-70.1	-15.2	0	0	0	113	N905 L1000 N1002 A1003 N1007	N905-N1005 PolarHBondContact ND2-O 2.02Å; L1000-N1005 WeakPolarHBondContact CD1-O 3.48Å; N1002-N1005 HydrophobicContact CB-CB 4.43Å; N1002-N1005 WeakPolarHBondContact O-CB 3.37Å; N1002-N1005 PolarHBondContact O-N 2.78Å; A1003-N1005 PolarHBondContact O-N 3.43Å; N1005-N1007 PolarHBondContact O-N 3.17Å; N1005-N1007 PolarHBondContact O-ND2 3.37Å
1006	R	70	Confident	70	Confident	156 Å²	156	60.6 Å²	60.6	59%	0.589	33%	0.331	S	S	*	.			trans	-74.1	65.4	173.3	-73.6	-176.2	178.1	-170.4	-1.7	111	N556 L1000 A1003 E1004	N556-R1006 PolarHBondContact ND2-O 3.34Å; L1000-R1006 HydrophobicContact CD1-CB 4.49Å; L1000-R1006 HydrophobicContact CD1-CG 3.87Å; A1003-R1006 WeakPolarHBondContact O-CB 3.4Å; A1003-R1006 WeakPolarHBondContact O-CG 3.24Å; A1003-R1006 PolarHBondContact O-N 3.07Å; E1004-R1006 PolarHBondContact O-N 3.17Å
1007	N	76.4	Confident	69.8	Low	17 Å²	17	62.3 Å²	62.3	9%	0.091	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-84.3	156.6	175.8	-55.4	-52.2	0	0	0	111.1	N556 L903 N905 N1005	N556-N1007 PolarHBondContact ND2-O 2.65Å; L903-N1007 HydrophobicContact CB-CB 4.13Å; L903-N1007 WeakPolarHBondContact CB-OD1 3.49Å; N905-N1007 WeakPolarHBondContact OD1-CB 3.13Å; N905-N1007 PolarHBondContact OD1-ND2 3.12Å; N905-N1007 VanDerWaalsContact OD1-ND2 3.08Å; N1005-N1007 PolarHBondContact O-N 3.17Å; N1005-N1007 PolarHBondContact O-ND2 3.37Å
1008	P	76.4	Confident	69.9	Low	36 Å²	36	63.1 Å²	63.1	23%	0.234	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-57.5	155.4	170.4	24	-34.6	0	0	0	111.8	S584 L903 C904 N905	S584-P1008 WeakPolarHBondContact O-CB 3.08Å; L903-P1008 WeakPolarHBondContact O-CD 3Å; L903-P1008 VanDerWaalsContact O-CG 3.31Å; L903-P1008 WeakPolarHBondContact O-CG 3.3Å; C904-P1008 CarbonylContact C-O 3.34Å; C904-P1008 WeakPolarHBondContact CA-O 3.09Å; C904-P1008 HydrophobicContact CB-CG 4.43Å; C904-P1008 VanDerWaalsContact CB-O 3.28Å; C904-P1008 WeakPolarHBondContact CB-O 3.03Å; N905-P1008 PolarHBondContact N-O 2.89Å
1009	S	79.4	Confident	70	Confident	6 Å²	6	64 Å²	64	4%	0.042	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-60.2	139.2	168.2	-69.2	0	0	0	0	110.9	Y554 N905	Y554-S1009 WeakPolarHBondContact CA-OG 3.28Å; Y554-S1009 PolarHBondContact O-OG 3.36Å; Y554-S1009 VanDerWaalsContact O-OG 3.04Å; N905-S1009 CarbonylContact O-C 3.54Å; N905-S1009 WeakPolarHBondContact O-CA 3.26Å
1010	C	78.3	Confident	70	Confident	8 Å²	8	62.4 Å²	62.4	5%	0.054	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-62	153.2	176.1	-68.4	0	0	0	0	112.7	C904 N905	C904-C1010 HydrophobicContact CB-CB 3.89Å; C904-C1010 WeakPolarHBondContact CB-SG 3.43Å; C904-C1010 PolarHBondContact O-SG 3Å; C904-C1010 VanDerWaalsContact O-SG 3.39Å; C904-C1010 WeakPolarHBondContact SG-CA 3.02Å; C904-C1010 WeakPolarHBondContact SG-CB 3.34Å; C904-C1010 CovalentContact SG-SG 2.05Å; C904-C1010 PolarHBondContact SG-SG 2.9Å; N905-C1010 PolarHBondContact O-N 3.4Å
1011	E	67.9	Low	69.7	Low	81 Å²	81	64.6 Å²	64.6	38%	0.379	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-60.9	152.1	170.8	-70.9	-178.7	173.7	0	0	110.2	W587 R858 H1013	W587-E1011 HydrophobicContact CB-CG 3.69Å; W587-E1011 HydrophobicContact CG-CG 4.39Å; R858-E1011 IonicContact CZ-OE2 2.81Å; R858-E1011 VanDerWaalsContact CZ-OE2 3.23Å; R858-E1011 IonicContact NH1-OE2 3.79Å; R858-E1011 PolarHBondContact NH1-OE2 2.04Å; R858-E1011 VanDerWaalsContact NH2-CD 3.29Å; R858-E1011 IonicContact NH2-OE1 3.76Å; R858-E1011 PolarHBondContact NH2-OE1 3.24Å; R858-E1011 VanDerWaalsContact NH2-OE1 3.08Å; R858-E1011 IonicContact NH2-OE2 3.02Å; R858-E1011 PolarHBondContact NH2-OE2 2.66Å; E1011-H1013 PolarHBondContact O-N 2.72Å
1012	V	64.8	Low	69.8	Low	22 Å²	22	62.4 Å²	62.4	13%	0.133	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-52.6	124	-178.4	-175.4	0	0	0	0	109.5	P534 W587 Q1014	P534-V1012 WeakPolarHBondContact O-CG2 3.32Å; W587-V1012 HydrophobicContact CH2-CG2 3.66Å; W587-V1012 HydrophobicContact CZ2-CG2 3.58Å; W587-V1012 HydrophobicContact CZ3-CG2 4.33Å; V1012-Q1014 PolarHBondContact O-N 2.92Å
1013	H	62	Low	70.1	Confident	121 Å²	121	64.1 Å²	64.1	56%	0.56	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-58.8	141.1	177.7	-162.9	52.7	0	0	0	109.9	E1011 E1015	E1011-H1013 PolarHBondContact O-N 2.72Å; H1013-E1015 PolarHBondContact O-N 3.39Å; H1013-E1015 VanDerWaalsContact O-N 3.1Å
1014	Q	65.5	Low	70.7	Confident	70 Å²	70	64.4 Å²	64.4	33%	0.327	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-61	120.4	179.8	-175.3	176.5	9.1	0	0	108.8	V1012	V1012-Q1014 PolarHBondContact O-N 2.92Å
1015	E	73.4	Confident	71.2	Confident	15 Å²	15	58.7 Å²	58.7	7%	0.07	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.5	135.7	179.4	-65	178.6	156.9	0	0	109.6	R538 L541 R771 H1013 V1017	R538-E1015 IonicContact CZ-OE1 3.63Å; R538-E1015 IonicContact CZ-OE2 2.77Å; R538-E1015 IonicContact NE-OE1 3.48Å; R538-E1015 PolarHBondContact NE-OE1 2.8Å; R538-E1015 IonicContact NE-OE2 2.76Å; R538-E1015 VanDerWaalsContact NH2-CD 3.28Å; R538-E1015 IonicContact NH2-OE1 2.84Å; R538-E1015 PolarHBondContact NH2-OE1 3.34Å; R538-E1015 IonicContact NH2-OE2 3.76Å; R538-E1015 PolarHBondContact NH2-OE2 2.82Å; L541-E1015 HydrophobicContact CD1-CB 3.9Å; L541-E1015 VanDerWaalsContact CD1-CD 3.47Å; L541-E1015 HydrophobicContact CD1-CG 3.64Å; R771-E1015 PolarHBondContact NH1-O 2.93Å; R771-E1015 VanDerWaalsContact NH1-O 3.11Å; H1013-E1015 PolarHBondContact O-N 3.39Å; H1013-E1015 VanDerWaalsContact O-N 3.1Å; E1015-V1017 PolarHBondContact O-N 3.48Å
1016	P	67.9	Low	71.7	Confident	97 Å²	97	60.4 Å²	60.4	63%	0.63	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-60.8	134.8	178.9	26.2	-33.1	0	0	0	108.7
1017	V	70.4	Confident	71.8	Confident	46 Å²	46	55.9 Å²	55.9	28%	0.279	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-100.8	123.4	177	-175.5	0	0	0	0	107.9	F766 V793 E1015	F766-V1017 HydrophobicContact CD2-CG1 4.19Å; F766-V1017 HydrophobicContact CE2-CG1 4.38Å; F766-V1017 HydrophobicContact CE2-CG2 4.49Å; V793-V1017 HydrophobicContact CB-CB 4.45Å; V793-V1017 HydrophobicContact CB-CG1 3.84Å; V793-V1017 HydrophobicContact CG1-CG1 4.02Å; V793-V1017 HydrophobicContact CG2-CB 3.54Å; V793-V1017 HydrophobicContact CG2-CG1 3.47Å; V793-V1017 VanDerWaalsContact CG2-CG1 3.47Å; E1015-V1017 PolarHBondContact O-N 3.48Å
1018	T	74.3	Confident	71.7	Confident	88 Å²	88	62.1 Å²	62.1	54%	0.54	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-93.2	135.7	179.8	-46.3	0	0	0	0	109.7
1019	Y	73.8	Confident	71.9	Confident	52 Å²	52	64 Å²	64	20%	0.204	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-76	127.1	169.1	175.8	-99.2	0	0	0	109.7	K659 Q660 V793 A1021 M1092	K659-Y1019 HydrophobicContact CB-CE2 3.77Å; K659-Y1019 PolarHBondContact O-OH 2.64Å; Q660-Y1019 HydrophobicContact CG-CD2 4.48Å; Q660-Y1019 HydrophobicContact CG-CE2 3.96Å; V793-Y1019 HydrophobicContact CG1-CD2 4.33Å; V793-Y1019 VanDerWaalsContact O-CD2 3.32Å; V793-Y1019 WeakPolarHBondContact O-CD2 3.5Å; Y1019-A1021 PolarHBondContact O-N 3.39Å; Y1019-M1092 HydrophobicContact CD1-CE 4.03Å; Y1019-M1092 HydrophobicContact CE1-CE 3.86Å
1020	T	74.3	Confident	72.1	Confident	39 Å²	39	65.2 Å²	65.2	24%	0.239	38%	0.383	C	S	.	.			trans	-76.3	109.1	174.3	-49.2	0	0	0	0	109.3	L761 D763	L761-T1020 HydrophobicContact CD2-CG2 3.81Å; L761-T1020 HydrophobicContact CG-CG2 4.18Å; D763-T1020 PolarHBondContact N-OG1 2.79Å
1021	A	67.1	Low	72.6	Confident	71 Å²	71	72.3 Å²	72.3	59%	0.587	42%	0.416	S	S	*	.			trans	-63.7	136	177	0	0	0	0	0	111	Y1019	Y1019-A1021 PolarHBondContact O-N 3.39Å
1022	I	73.1	Confident	73.5	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.092	42%	0.417	C	S	.	.			trans	-104.5	149.2	174.8	-57.3	160	0	0	0	107.1	L656 L661 P1024 L1026	L656-I1022 HydrophobicContact CD2-CD1 4.18Å; L661-I1022 HydrophobicContact CB-CD1 3.74Å; L661-I1022 HydrophobicContact CB-CG1 4.34Å; I1022-P1024 WeakPolarHBondContact O-CD 3.05Å; I1022-L1026 HydrophobicContact CG2-CB 4.22Å; I1022-L1026 HydrophobicContact CG2-CD2 3.98Å; I1022-L1026 HydrophobicContact CG2-CG 4.33Å
1023	D	74.1	Confident	74.6	Confident	115 Å²	115	72.3 Å²	72.3	62%	0.615	42%	0.416	S	S	*	.			trans	-55	123	171.2	-175.1	-12.7	0	0	0	109.9	G1025 L1026 Q1027	D1023-G1025 PolarHBondContact O-N 3.09Å; D1023-G1025 VanDerWaalsContact O-N 3.14Å; D1023-G1025 PolarHBondContact OD1-N 3.2Å; D1023-G1025 VanDerWaalsContact OD1-N 3.12Å; D1023-L1026 HydrophobicContact CB-CB 4.27Å; D1023-L1026 WeakPolarHBondContact O-CB 3.44Å; D1023-L1026 PolarHBondContact O-N 3.47Å; D1023-Q1027 PolarHBondContact O-N 2.84Å
1024	P	72.1	Confident	75.7	Confident	85 Å²	85	68.1 Å²	68.1	55%	0.552	40%	0.399	S	S	*	.	H	α-helix	trans	-51.7	-36.4	179.5	-28	34.6	0	0	0	113.5	I1022 L1026 Q1027 D1028	I1022-P1024 WeakPolarHBondContact O-CD 3.05Å; P1024-L1026 VanDerWaalsContact C-N 3.3Å; P1024-L1026 PolarHBondContact O-N 3.03Å; P1024-Q1027 PolarHBondContact O-N 3.37Å; P1024-D1028 PolarHBondContact O-N 2.83Å; P1024-D1028 VanDerWaalsContact O-N 3.15Å
1025	G	71.4	Confident	76.5	Confident	53 Å²	53	70.7 Å²	70.7	55%	0.546	42%	0.415	S	S	.	.	H	α-helix	trans	-67.3	-29.3	178.9	0	0	0	0	0	113.7	D1023	D1023-G1025 PolarHBondContact O-N 3.09Å; D1023-G1025 VanDerWaalsContact O-N 3.14Å; D1023-G1025 PolarHBondContact OD1-N 3.2Å; D1023-G1025 VanDerWaalsContact OD1-N 3.12Å
1026	L	73.1	Confident	77	Confident	73 Å²	73	70.5 Å²	70.5	38%	0.382	42%	0.415	S	S	.	.	H	α-helix	trans	-78.9	-35.4	173.9	-176.7	64.4	0	0	0	111.1	I1022 D1023 P1024 A1029 L1030	I1022-L1026 HydrophobicContact CG2-CB 4.22Å; I1022-L1026 HydrophobicContact CG2-CD2 3.98Å; I1022-L1026 HydrophobicContact CG2-CG 4.33Å; D1023-L1026 HydrophobicContact CB-CB 4.27Å; D1023-L1026 WeakPolarHBondContact O-CB 3.44Å; D1023-L1026 PolarHBondContact O-N 3.47Å; P1024-L1026 VanDerWaalsContact C-N 3.3Å; P1024-L1026 PolarHBondContact O-N 3.03Å; L1026-A1029 PolarHBondContact O-N 2.82Å; L1026-L1030 HydrophobicContact CD1-CD1 4.35Å; L1026-L1030 HydrophobicContact CG-CD1 4.01Å; L1026-L1030 VanDerWaalsContact O-CG 3.31Å; L1026-L1030 WeakPolarHBondContact O-CG 3.5Å; L1026-L1030 PolarHBondContact O-N 3.38Å
1027	Q	73.1	Confident	77.9	Confident	61 Å²	61	73 Å²	73	29%	0.285	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-43.8	179.4	-169.8	172.3	-2.6	0	0	111.9	L656 D1023 P1024 A1029 L1030	L656-Q1027 HydrophobicContact CD1-CG 3.9Å; L656-Q1027 VanDerWaalsContact CD1-O 3.3Å; L656-Q1027 WeakPolarHBondContact CD1-O 3.41Å; L656-Q1027 HydrophobicContact CD2-CG 4.25Å; D1023-Q1027 PolarHBondContact O-N 2.84Å; P1024-Q1027 PolarHBondContact O-N 3.37Å; Q1027-A1029 PolarHBondContact O-N 3.28Å; Q1027-L1030 PolarHBondContact O-N 2.83Å
1028	D	73.4	Confident	78.8	Confident	148 Å²	148	71.1 Å²	71.1	79%	0.791	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.2	-179.8	-71.7	-22.1	0	0	0	113.8	P1024	P1024-D1028 PolarHBondContact O-N 2.83Å; P1024-D1028 VanDerWaalsContact O-N 3.15Å
1029	A	80.6	Confident	79.5	Confident	75 Å²	75	71.9 Å²	71.9	62%	0.62	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-19.1	-178.9	0	0	0	0	0	113.8	L1026 Q1027	L1026-A1029 PolarHBondContact O-N 2.82Å; Q1027-A1029 PolarHBondContact O-N 3.28Å
1030	L	84.4	Confident	80.3	Confident	32 Å²	32	75.8 Å²	75.8	17%	0.168	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-92.2	138.1	-172.5	-69.9	169.9	0	0	0	112	A654 L656 L661 L1026 Q1027	A654-L1030 HydrophobicContact CB-CD2 3.98Å; A654-L1030 WeakPolarHBondContact O-CD2 3.46Å; L656-L1030 HydrophobicContact CD1-CB 3.94Å; L656-L1030 HydrophobicContact CD2-CD1 4.48Å; L656-L1030 HydrophobicContact CG-CB 3.81Å; L656-L1030 HydrophobicContact CG-CD1 4.29Å; L661-L1030 HydrophobicContact CD1-CD1 3.51Å; L1026-L1030 HydrophobicContact CD1-CD1 4.35Å; L1026-L1030 HydrophobicContact CG-CD1 4.01Å; L1026-L1030 VanDerWaalsContact O-CG 3.31Å; L1026-L1030 WeakPolarHBondContact O-CG 3.5Å; L1026-L1030 PolarHBondContact O-N 3.38Å; Q1027-L1030 PolarHBondContact O-N 2.83Å
1031	Q	87.9	Confident	81	Confident	157 Å²	157	76.9 Å²	76.9	73%	0.734	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-80.1	154.7	172.6	-62.5	-67	-47.3	0	0	110.6	C655 L656	C655-Q1031 CarbonylContact C-O 3.58Å; C655-Q1031 WeakPolarHBondContact CA-O 3.35Å; C655-Q1031 WeakPolarHBondContact CB-O 3.47Å; L656-Q1031 PolarHBondContact N-O 3.32Å
1032	Q	87.5	Confident	82	Confident	86 Å²	86	80.9 Å²	80.9	40%	0.402	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-65.6	137.4	171.4	-74	-67.4	-39.5	0	0	110.9	L656 F658 V1034	L656-Q1032 CarbonylContact O-C 3.43Å; L656-Q1032 VanDerWaalsContact O-CA 3.27Å; L656-Q1032 WeakPolarHBondContact O-CA 3.37Å; L656-Q1032 PolarHBondContact O-OE1 3.33Å; F658-Q1032 VanDerWaalsContact N-OE1 3.15Å; F658-Q1032 PolarHBondContact O-NE2 2.84Å; F658-Q1032 PolarHBondContact O-OE1 3.25Å; Q1032-V1034 VanDerWaalsContact C-N 3.34Å
1033	C	87.9	Confident	82.7	Confident	17 Å²	17	86.2 Å²	86.2	12%	0.115	45%	0.454	C	S	.	.	S	Bend	trans	-64.9	-39.6	179.7	-64.5	0	0	0	0	111.6	C655 L656 H657 L664	C655-C1033 HydrophobicContact CB-CB 3.93Å; C655-C1033 WeakPolarHBondContact CB-SG 3.4Å; C655-C1033 WeakPolarHBondContact SG-CA 3.31Å; C655-C1033 WeakPolarHBondContact SG-CB 3.15Å; C655-C1033 CovalentContact SG-SG 2.02Å; C655-C1033 PolarHBondContact SG-SG 3.23Å; L656-C1033 PolarHBondContact O-N 2.84Å; H657-C1033 HydrophobicContact CB-CB 4.28Å; H657-C1033 PolarHBondContact N-SG 3.48Å; H657-C1033 VanDerWaalsContact N-SG 3.39Å; L664-C1033 HydrophobicContact CD1-CB 4.39Å; L664-C1033 WeakPolarHBondContact CD1-O 3.2Å; L664-C1033 HydrophobicContact CD2-CB 4.36Å; L664-C1033 HydrophobicContact CG-CB 4.28Å
1034	V	83.4	Confident	83.2	Confident	33 Å²	33	83.1 Å²	83.1	20%	0.2	44%	0.442	C	S	.	.			trans	-110.2	127.8	-179	-175.7	0	0	0	0	108.4	Q1032 L1051	Q1032-V1034 VanDerWaalsContact C-N 3.34Å; V1034-L1051 HydrophobicContact CG1-CD1 4.49Å
1035	N	83.7	Confident	83.7	Confident	124 Å²	124	80.8 Å²	80.8	66%	0.663	43%	0.434	S	S	*	.			trans	-105.3	94.6	170.5	-175.1	-13.5	0	0	0	109.3	R1037	N1035-R1037 PolarHBondContact O-N 3.33Å; N1035-R1037 VanDerWaalsContact OD1-CG 3.26Å; N1035-R1037 WeakPolarHBondContact OD1-CG 3.34Å; N1035-R1037 PolarHBondContact OD1-N 3.29Å
1036	S	82.5	Confident	84.4	Confident	11 Å²	11	82.3 Å²	82.3	8%	0.077	43%	0.429	C	S	.	.			trans	-76.2	-9.6	-174.9	-57.1	0	0	0	0	114.5	C1038 R1041 L1051 C1053	S1036-C1038 VanDerWaalsContact C-N 3.27Å; S1036-C1038 PolarHBondContact O-N 3.46Å; S1036-R1041 PolarHBondContact O-NE 2.86Å; S1036-L1051 WeakPolarHBondContact CB-O 3.42Å; S1036-L1051 PolarHBondContact OG-O 3.3Å; S1036-C1053 WeakPolarHBondContact CB-SG 3.22Å
1037	R	87.8	Confident	85.1	Confident	148 Å²	148	78.8 Å²	78.8	56%	0.558	41%	0.411	S	S	*	.			trans	47.2	45.4	179.3	-56.7	-175.9	-175.6	-178.6	0.6	113	N1035 N1039 Q1040	N1035-R1037 PolarHBondContact O-N 3.33Å; N1035-R1037 VanDerWaalsContact OD1-CG 3.26Å; N1035-R1037 WeakPolarHBondContact OD1-CG 3.34Å; N1035-R1037 PolarHBondContact OD1-N 3.29Å; R1037-N1039 VanDerWaalsContact C-N 3.26Å; R1037-N1039 PolarHBondContact O-N 2.89Å; R1037-Q1040 HydrophobicContact CB-CB 4.37Å; R1037-Q1040 HydrophobicContact CB-CG 4.22Å; R1037-Q1040 VanDerWaalsContact CD-OE1 3.24Å; R1037-Q1040 WeakPolarHBondContact O-CB 3.4Å; R1037-Q1040 PolarHBondContact O-N 2.92Å
1038	C	89.6	Confident	85.8	Confident	7 Å²	7	77.5 Å²	77.5	5%	0.047	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-51.7	-44.6	-174.4	-51.9	0	0	0	0	112.5	S1036 Q1040 R1041 C1053 C1071	S1036-C1038 VanDerWaalsContact C-N 3.27Å; S1036-C1038 PolarHBondContact O-N 3.46Å; C1038-Q1040 PolarHBondContact O-N 2.95Å; C1038-R1041 WeakPolarHBondContact O-CB 3.34Å; C1038-R1041 PolarHBondContact O-N 2.76Å; C1038-C1053 WeakPolarHBondContact CA-SG 3.37Å; C1038-C1053 HydrophobicContact CB-CB 3.84Å; C1038-C1053 WeakPolarHBondContact CB-SG 3.42Å; C1038-C1053 WeakPolarHBondContact SG-CA 3.27Å; C1038-C1053 WeakPolarHBondContact SG-CB 3.33Å; C1038-C1053 CovalentContact SG-SG 2.04Å; C1038-C1053 PolarHBondContact SG-SG 2.89Å; C1038-C1071 WeakPolarHBondContact O-CB 3.49Å; C1038-C1071 PolarHBondContact O-SG 3.49Å
1039	N	88.9	Confident	86.3	Confident	105 Å²	105	70.6 Å²	70.6	56%	0.561	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-64.5	-14	-178.3	-57.3	-5.9	0	0	0	114.4	R1037	R1037-N1039 VanDerWaalsContact C-N 3.26Å; R1037-N1039 PolarHBondContact O-N 2.89Å
1040	Q	89.6	Confident	86.7	Confident	133 Å²	133	67.1 Å²	67.1	62%	0.621	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-87.2	-11.1	175.7	-61.5	-178.4	0.1	0	0	112.4	R1037 C1038 M1042	R1037-Q1040 HydrophobicContact CB-CB 4.37Å; R1037-Q1040 HydrophobicContact CB-CG 4.22Å; R1037-Q1040 VanDerWaalsContact CD-OE1 3.24Å; R1037-Q1040 WeakPolarHBondContact O-CB 3.4Å; R1037-Q1040 PolarHBondContact O-N 2.92Å; C1038-Q1040 PolarHBondContact O-N 2.95Å; Q1040-M1042 PolarHBondContact O-N 3.06Å
1041	R	90.4	Very high	87	Confident	63 Å²	63	65.8 Å²	65.8	24%	0.238	33%	0.332	C	S	.	.			trans	-92.3	103.1	-177.7	-59.1	172.6	179.8	-81.7	-5	108.8	S1036 C1038 D1046 C1047 C1071	S1036-R1041 PolarHBondContact O-NE 2.86Å; C1038-R1041 WeakPolarHBondContact O-CB 3.34Å; C1038-R1041 PolarHBondContact O-N 2.76Å; R1041-D1046 HydrophobicContact CB-CB 4.46Å; R1041-D1046 WeakPolarHBondContact CD-O 3.32Å; R1041-D1046 PolarHBondContact NH1-O 2.93Å; R1041-C1047 HydrophobicContact CB-CB 4.4Å; R1041-C1071 HydrophobicContact CB-CB 4.11Å; R1041-C1071 VanDerWaalsContact O-CB 3.25Å; R1041-C1071 WeakPolarHBondContact O-CB 3.48Å
1042	M	87.4	Confident	86.9	Confident	154 Å²	154	60.2 Å²	60.2	76%	0.759	31%	0.307	S	S	*	.			trans	-86.7	-18.2	-175	-61.8	-65.4	174.9	0	0	112.9	Q1040 W1055	Q1040-M1042 PolarHBondContact O-N 3.06Å; M1042-W1055 WeakPolarHBondContact O-CH2 2.93Å
1043	E	88.3	Confident	87	Confident	130 Å²	130	56.1 Å²	56.1	61%	0.607	29%	0.288	S	S	*	.	S	Bend	trans	-107.6	142.9	-177.6	-62.3	-170.2	-175.3	0	0	111.6	G1045 D1046 C1047	E1043-G1045 VanDerWaalsContact C-N 3.31Å; E1043-G1045 PolarHBondContact O-N 3.09Å; E1043-D1046 HydrophobicContact CB-CB 4.5Å; E1043-D1046 PolarHBondContact O-N 2.68Å; E1043-C1047 PolarHBondContact O-N 2.81Å
1044	S	83.4	Confident	87	Confident	50 Å²	50	56.1 Å²	56.1	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-57.3	-44.6	177.8	179.3	0	0	0	0	111.6	D1046 C1047 F1048	S1044-D1046 PolarHBondContact O-N 2.93Å; S1044-C1047 PolarHBondContact O-N 3.23Å; S1044-C1047 VanDerWaalsContact O-N 3.16Å; S1044-F1048 VanDerWaalsContact O-CB 3.24Å; S1044-F1048 WeakPolarHBondContact O-CB 3.24Å; S1044-F1048 PolarHBondContact O-N 3.36Å
1045	G	82.8	Confident	87.3	Confident	37 Å²	37	56.1 Å²	56.1	38%	0.381	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-28	-178.9	0	0	0	0	0	114.8	K833 E1043	K833-G1045 PolarHBondContact NZ-O 3.12Å; E1043-G1045 VanDerWaalsContact C-N 3.31Å; E1043-G1045 PolarHBondContact O-N 3.09Å
1046	D	86.4	Confident	87.6	Confident	84 Å²	84	50.2 Å²	50.2	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-87	-25.4	178.8	-74.1	-18.4	0	0	0	113.1	R1041 E1043 S1044 V1050	R1041-D1046 HydrophobicContact CB-CB 4.46Å; R1041-D1046 WeakPolarHBondContact CD-O 3.32Å; R1041-D1046 PolarHBondContact NH1-O 2.93Å; E1043-D1046 HydrophobicContact CB-CB 4.5Å; E1043-D1046 PolarHBondContact O-N 2.68Å; S1044-D1046 PolarHBondContact O-N 2.93Å; D1046-V1050 VanDerWaalsContact O-CG2 3.3Å; D1046-V1050 WeakPolarHBondContact O-CG2 3.41Å
1047	C	89	Confident	88	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-82.8	-33.5	174.9	-173.2	0	0	0	0	112	R1041 E1043 S1044 G1049 V1050 W1055 C1071	R1041-C1047 HydrophobicContact CB-CB 4.4Å; E1043-C1047 PolarHBondContact O-N 2.81Å; S1044-C1047 PolarHBondContact O-N 3.23Å; S1044-C1047 VanDerWaalsContact O-N 3.16Å; C1047-G1049 PolarHBondContact O-N 2.9Å; C1047-V1050 WeakPolarHBondContact O-CB 3.46Å; C1047-V1050 PolarHBondContact O-N 2.03Å; C1047-V1050 VanDerWaalsContact O-N 3.17Å; C1047-W1055 HydrophobicContact CB-CE3 3.72Å; C1047-W1055 HydrophobicContact CB-CZ3 4.35Å; C1047-C1071 HydrophobicContact CB-CB 3.6Å; C1047-C1071 WeakPolarHBondContact CB-SG 3.24Å; C1047-C1071 VanDerWaalsContact SG-CA 3.58Å; C1047-C1071 WeakPolarHBondContact SG-CB 3.28Å; C1047-C1071 CovalentContact SG-SG 2.03Å; C1047-C1071 PolarHBondContact SG-SG 2.99Å
1048	F	86.6	Confident	87.9	Confident	33 Å²	33	44.1 Å²	44.1	15%	0.145	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	117.2	-165.8	-164	-95.8	0	0	0	113.1	R829 Y832 K833 V868 S1044 V1050	R829-F1048 HydrophobicContact CB-CD1 4.06Å; R829-F1048 HydrophobicContact CB-CE1 3.68Å; R829-F1048 HydrophobicContact CB-CZ 3.94Å; R829-F1048 HydrophobicContact CG-CE1 4.02Å; R829-F1048 HydrophobicContact CG-CE2 4.06Å; R829-F1048 HydrophobicContact CG-CZ 3.72Å; R829-F1048 WeakPolarHBondContact O-CE1 3.31Å; Y832-F1048 AromaticContact CD1-CE1 3.69Å; Y832-F1048 HydrophobicContact CD1-CE1 3.69Å; Y832-F1048 AromaticContact CD1-CZ 3.62Å; Y832-F1048 HydrophobicContact CD1-CZ 3.62Å; Y832-F1048 HydrophobicContact CE1-CZ 4.26Å; Y832-F1048 HydrophobicContact CG-CE1 4.5Å; K833-F1048 HydrophobicContact CB-CD1 4.06Å; K833-F1048 HydrophobicContact CB-CE1 4.38Å; V868-F1048 HydrophobicContact CB-CE2 4.39Å; V868-F1048 HydrophobicContact CB-CZ 3.97Å; V868-F1048 HydrophobicContact CG1-CZ 3.92Å; V868-F1048 HydrophobicContact CG2-CZ 4.2Å; S1044-F1048 VanDerWaalsContact O-CB 3.24Å; S1044-F1048 WeakPolarHBondContact O-CB 3.24Å; S1044-F1048 PolarHBondContact O-N 3.36Å; F1048-V1050 VanDerWaalsContact C-N 3.31Å
1049	G	83.5	Confident	87.8	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-3.4	179.6	0	0	0	0	0	115.3	Y741 T827 C1047	Y741-G1049 VanDerWaalsContact CD1-C 3.46Å; Y741-G1049 WeakPolarHBondContact CD1-O 3.3Å; T827-G1049 WeakPolarHBondContact CB-O 3.28Å; T827-G1049 WeakPolarHBondContact CG2-O 3.11Å; T827-G1049 PolarHBondContact OG1-O 3.49Å; C1047-G1049 PolarHBondContact O-N 2.9Å
1050	V	90.3	Very high	87.6	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.018	25%	0.247	C	C	.	.			trans	-66.2	138.4	176.4	177.7	0	0	0	0	110.2	T740 Y741 D1046 C1047 F1048 D1052 C1053	T740-V1050 CarbonylContact O-C 3.39Å; T740-V1050 WeakPolarHBondContact O-CA 3.42Å; Y741-V1050 HydrophobicContact CE1-CG2 4Å; D1046-V1050 VanDerWaalsContact O-CG2 3.3Å; D1046-V1050 WeakPolarHBondContact O-CG2 3.41Å; C1047-V1050 WeakPolarHBondContact O-CB 3.46Å; C1047-V1050 PolarHBondContact O-N 2.03Å; C1047-V1050 VanDerWaalsContact O-N 3.17Å; F1048-V1050 VanDerWaalsContact C-N 3.31Å; V1050-D1052 PolarHBondContact O-N 3.49Å; V1050-C1053 HydrophobicContact CB-CB 3.98Å; V1050-C1053 HydrophobicContact CG1-CB 4.19Å; V1050-C1053 PolarHBondContact O-N 3.34Å
1051	L	88.9	Confident	87.1	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	135.1	176.6	-67.2	165.8	0	0	0	110.8	F658 N739 T740 I742 V743 T827 V1034 S1036 C1053	F658-L1051 HydrophobicContact CZ-CB 4.19Å; F658-L1051 HydrophobicContact CZ-CD2 3.88Å; N739-L1051 WeakPolarHBondContact O-CD1 3.36Å; T740-L1051 VanDerWaalsContact O-CG 3.3Å; T740-L1051 WeakPolarHBondContact O-CG 3.31Å; T740-L1051 PolarHBondContact O-N 2.92Å; I742-L1051 WeakPolarHBondContact O-CD1 3.41Å; V743-L1051 HydrophobicContact CB-CD2 4.22Å; V743-L1051 HydrophobicContact CG2-CD2 3.45Å; V743-L1051 VanDerWaalsContact CG2-CD2 3.45Å; T827-L1051 HydrophobicContact CG2-CD2 3.65Å; T827-L1051 HydrophobicContact CG2-CG 4.35Å; V1034-L1051 HydrophobicContact CG1-CD1 4.49Å; S1036-L1051 WeakPolarHBondContact CB-O 3.42Å; S1036-L1051 PolarHBondContact OG-O 3.3Å; L1051-C1053 PolarHBondContact O-N 3Å
1052	D	87.1	Confident	86.5	Confident	40 Å²	40	42 Å²	42	21%	0.214	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	0.8	-179.4	-162.4	37.6	0	0	0	115.1	F658 V1050 P1073 Q1074	F658-D1052 HydrophobicContact CD1-CB 4.46Å; F658-D1052 HydrophobicContact CE1-CB 3.92Å; V1050-D1052 PolarHBondContact O-N 3.49Å; D1052-P1073 CarbonylContact O-C 3.53Å; D1052-P1073 WeakPolarHBondContact O-CA 3.4Å; D1052-Q1074 PolarHBondContact O-N 3.17Å
1053	C	89.4	Confident	86.2	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.1	-178.8	-58.6	0	0	0	0	112.8	S1036 C1038 V1050 L1051 A1072	S1036-C1053 WeakPolarHBondContact CB-SG 3.22Å; C1038-C1053 WeakPolarHBondContact CA-SG 3.37Å; C1038-C1053 HydrophobicContact CB-CB 3.84Å; C1038-C1053 WeakPolarHBondContact CB-SG 3.42Å; C1038-C1053 WeakPolarHBondContact SG-CA 3.27Å; C1038-C1053 WeakPolarHBondContact SG-CB 3.33Å; C1038-C1053 CovalentContact SG-SG 2.04Å; C1038-C1053 PolarHBondContact SG-SG 2.89Å; V1050-C1053 HydrophobicContact CB-CB 3.98Å; V1050-C1053 HydrophobicContact CG1-CB 4.19Å; V1050-C1053 PolarHBondContact O-N 3.34Å; L1051-C1053 PolarHBondContact O-N 3Å; C1053-A1072 WeakPolarHBondContact CA-O 3.47Å
1054	E	88.5	Confident	86.1	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.075	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.8	-178.6	-68.2	-78.4	140.7	0	0	109.9	R829 C1071 A1072 Q1074 C1077 G1079	R829-E1054 IonicContact CZ-OE1 2.84Å; R829-E1054 IonicContact CZ-OE2 3.12Å; R829-E1054 IonicContact NH1-OE1 3.59Å; R829-E1054 PolarHBondContact NH1-OE1 3.26Å; R829-E1054 VanDerWaalsContact NH1-OE1 3.12Å; R829-E1054 IonicContact NH1-OE2 2.69Å; R829-E1054 PolarHBondContact NH1-OE2 3.38Å; R829-E1054 IonicContact NH2-OE1 3.94Å; R829-E1054 IonicContact NH2-OE2 3.79Å; R829-E1054 PolarHBondContact NH2-OE2 3.05Å; E1054-C1071 WeakPolarHBondContact O-CA 3.25Å; E1054-A1072 PolarHBondContact N-O 2.75Å; E1054-A1072 PolarHBondContact O-N 3.34Å; E1054-Q1074 HydrophobicContact CG-CB 4.24Å; E1054-Q1074 HydrophobicContact CG-CG 3.39Å; E1054-C1077 HydrophobicContact CB-CB 4.45Å; E1054-C1077 WeakPolarHBondContact CB-O 3.49Å; E1054-C1077 WeakPolarHBondContact CG-O 3.42Å; E1054-G1079 PolarHBondContact OE2-N 2.85Å; E1054-G1079 VanDerWaalsContact OE2-N 3.11Å
1055	W	89.9	Confident	86.2	Confident	34 Å²	34	43.1 Å²	43.1	13%	0.129	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.2	177.4	-174.2	-103.5	0	0	0	110.1	M1042 C1047 V1057 S1069 C1071 G1080	M1042-W1055 WeakPolarHBondContact O-CH2 2.93Å; C1047-W1055 HydrophobicContact CB-CE3 3.72Å; C1047-W1055 HydrophobicContact CB-CZ3 4.35Å; W1055-V1057 VanDerWaalsContact CD1-CG1 3.47Å; W1055-S1069 WeakPolarHBondContact CZ2-OG 3.46Å; W1055-C1071 HydrophobicContact CE3-CB 3.88Å; W1055-C1071 HydrophobicContact CZ3-CB 4Å; W1055-G1080 VanDerWaalsContact O-CA 3.27Å; W1055-G1080 WeakPolarHBondContact O-CA 3.17Å
1056	C	89.7	Confident	86.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.8	-172.9	-50.9	0	0	0	0	110.8	L1066 S1069 Y1070 C1077 V1082	C1056-L1066 HydrophobicContact CB-CD1 3.99Å; C1056-S1069 WeakPolarHBondContact O-CA 3.34Å; C1056-S1069 WeakPolarHBondContact O-CB 3.49Å; C1056-Y1070 HydrophobicContact CB-CD1 4.37Å; C1056-Y1070 HydrophobicContact CB-CE1 4.12Å; C1056-Y1070 PolarHBondContact N-O 2.92Å; C1056-Y1070 PolarHBondContact O-N 3.3Å; C1056-C1077 WeakPolarHBondContact CA-SG 3.5Å; C1056-C1077 HydrophobicContact CB-CB 4.17Å; C1056-C1077 WeakPolarHBondContact CB-SG 3.47Å; C1056-C1077 WeakPolarHBondContact SG-CB 3.33Å; C1056-C1077 CovalentContact SG-SG 2.02Å; C1056-C1077 PolarHBondContact SG-SG 3.43Å; C1056-V1082 HydrophobicContact CB-CG2 4.07Å
1057	V	89.6	Confident	86.3	Confident	29 Å²	29	47.5 Å²	47.5	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	-20.4	-175.6	-77	0	0	0	0	112.8	P870 W1055 H1065 L1066 G1080	P870-V1057 HydrophobicContact CB-CG2 4.36Å; P870-V1057 HydrophobicContact CG-CG2 3.85Å; W1055-V1057 VanDerWaalsContact CD1-CG1 3.47Å; V1057-H1065 WeakPolarHBondContact O-CA 3.46Å; V1057-H1065 PolarHBondContact O-ND1 2.77Å; V1057-L1066 PolarHBondContact O-N 3.18Å; V1057-G1080 PolarHBondContact N-O 3.48Å
1058	V	87.3	Confident	86.2	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.4	-177.3	-179.6	0	0	0	0	109.7	P870 T1064 G1080 I1081 V1082	P870-V1058 HydrophobicContact CB-CG2 4.1Å; P870-V1058 HydrophobicContact CG-CG2 4.11Å; V1058-T1064 CarbonylContact C-O 3.52Å; V1058-T1064 VanDerWaalsContact CA-O 3.29Å; V1058-T1064 WeakPolarHBondContact CA-O 3.44Å; V1058-T1064 WeakPolarHBondContact CG1-O 3.05Å; V1058-G1080 PolarHBondContact N-O 3.17Å; V1058-I1081 HydrophobicContact CB-CG1 4.08Å; V1058-I1081 HydrophobicContact CG1-CG1 4.23Å; V1058-I1081 WeakPolarHBondContact O-CA 3.18Å; V1058-V1082 PolarHBondContact O-N 3.43Å
1059	D	85.9	Confident	86.4	Confident	66 Å²	66	57 Å²	57	35%	0.353	30%	0.304	S	S	.	.			trans	-71.5	172.8	177.5	-155.5	-16	0	0	0	111.5	D1061 G1062 T1064 L1066 I1081	D1059-D1061 PolarHBondContact O-N 3.07Å; D1059-G1062 PolarHBondContact O-N 2.99Å; D1059-T1064 WeakPolarHBondContact CB-OG1 3.27Å; D1059-T1064 PolarHBondContact N-O 3.49Å; D1059-L1066 HydrophobicContact CB-CD2 4.02Å; D1059-I1081 WeakPolarHBondContact O-CG2 3.25Å
1060	S	84.8	Confident	86.8	Confident	89 Å²	89	60.6 Å²	60.6	62%	0.622	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-15.9	-179.9	56.1	0	0	0	0	116	G1062 V1082	S1060-G1062 VanDerWaalsContact C-N 3.26Å; S1060-V1082 WeakPolarHBondContact CA-O 3.45Å
1061	D	79.9	Confident	86.9	Confident	80 Å²	80	60.7 Å²	60.7	43%	0.428	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.9	173.9	76.8	-23.8	0	0	0	113.5	D1059 K1063 T1064	D1059-D1061 PolarHBondContact O-N 3.07Å; D1061-K1063 PolarHBondContact O-N 3.48Å; D1061-K1063 PolarHBondContact OD1-N 3.12Å; D1061-T1064 PolarHBondContact OD1-N 3.13Å; D1061-T1064 PolarHBondContact OD1-OG1 2.91Å; D1061-T1064 WeakPolarHBondContact OD2-CG2 3.39Å; D1061-T1064 PolarHBondContact OD2-N 3.46Å; D1061-T1064 PolarHBondContact OD2-OG1 2.77Å
1062	G	78.1	Confident	87	Confident	28 Å²	28	60.6 Å²	60.6	29%	0.289	32%	0.317	S	S	.	.	S	Bend	trans	68.3	11.4	-179	0	0	0	0	0	114	D1059 S1060	D1059-G1062 PolarHBondContact O-N 2.99Å; S1060-G1062 VanDerWaalsContact C-N 3.26Å
1063	K	80.7	Confident	87.1	Confident	172 Å²	172	60.5 Å²	60.5	75%	0.748	32%	0.319	S	S	*	.	S	Bend	trans	-134.5	-41.9	-174	-67.4	-178.7	-177.7	177.3	0	113.8	D1061	D1061-K1063 PolarHBondContact O-N 3.48Å; D1061-K1063 PolarHBondContact OD1-N 3.12Å
1064	T	85.3	Confident	86.8	Confident	67 Å²	67	61.7 Å²	61.7	41%	0.411	32%	0.324	S	S	.	.	S	Bend	trans	-78.7	134.4	-177.3	52	0	0	0	0	110.8	V1058 D1059 D1061	V1058-T1064 CarbonylContact C-O 3.52Å; V1058-T1064 VanDerWaalsContact CA-O 3.29Å; V1058-T1064 WeakPolarHBondContact CA-O 3.44Å; V1058-T1064 WeakPolarHBondContact CG1-O 3.05Å; D1059-T1064 WeakPolarHBondContact CB-OG1 3.27Å; D1059-T1064 PolarHBondContact N-O 3.49Å; D1061-T1064 PolarHBondContact OD1-N 3.13Å; D1061-T1064 PolarHBondContact OD1-OG1 2.91Å; D1061-T1064 WeakPolarHBondContact OD2-CG2 3.39Å; D1061-T1064 PolarHBondContact OD2-N 3.46Å; D1061-T1064 PolarHBondContact OD2-OG1 2.77Å
1065	H	86.6	Confident	86.4	Confident	119 Å²	119	69.5 Å²	69.5	55%	0.551	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.9	174.5	-97.5	-78.2	0	0	0	110.2	V1057	V1057-H1065 WeakPolarHBondContact O-CA 3.46Å; V1057-H1065 PolarHBondContact O-ND1 2.77Å
1066	L	87.1	Confident	86.2	Confident	41 Å²	41	72 Å²	72	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.6	174.6	-66	170.2	0	0	0	111	C1056 V1057 D1059 K1068 Y1070 V1082	C1056-L1066 HydrophobicContact CB-CD1 3.99Å; V1057-L1066 PolarHBondContact O-N 3.18Å; D1059-L1066 HydrophobicContact CB-CD2 4.02Å; L1066-K1068 PolarHBondContact O-N 3.17Å; L1066-Y1070 HydrophobicContact CD1-CD1 4.4Å; L1066-Y1070 HydrophobicContact CD1-CE1 3.91Å; L1066-V1082 HydrophobicContact CD1-CG2 3.78Å; L1066-V1082 HydrophobicContact CD2-CG2 4.4Å
1067	D	83.3	Confident	86.1	Confident	172 Å²	172	72 Å²	72	92%	0.92	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	-31	174.7	-71.3	-28.3	0	0	0	112.6
1068	K	87.9	Confident	85.8	Confident	176 Å²	176	72.1 Å²	72.1	77%	0.765	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	113.7	172.6	-67.6	-176.9	-178.4	178.6	0	108.9	L1066	L1066-K1068 PolarHBondContact O-N 3.17Å
1069	S	90.3	Very high	85.4	Confident	58 Å²	58	73.3 Å²	73.3	41%	0.406	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	146.1	169.1	47.9	0	0	0	0	110.7	W1055 C1056	W1055-S1069 WeakPolarHBondContact CZ2-OG 3.46Å; C1056-S1069 WeakPolarHBondContact O-CA 3.34Å; C1056-S1069 WeakPolarHBondContact O-CB 3.49Å
1070	Y	92.9	Very high	85.3	Confident	78 Å²	78	70.2 Å²	70.2	31%	0.306	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.8	-176.6	63.7	-81.6	0	0	0	111.1	C1056 L1066 A1072	C1056-Y1070 HydrophobicContact CB-CD1 4.37Å; C1056-Y1070 HydrophobicContact CB-CE1 4.12Å; C1056-Y1070 PolarHBondContact N-O 2.92Å; C1056-Y1070 PolarHBondContact O-N 3.3Å; L1066-Y1070 HydrophobicContact CD1-CD1 4.4Å; L1066-Y1070 HydrophobicContact CD1-CE1 3.91Å; Y1070-A1072 HydrophobicContact CD2-CB 3.94Å; Y1070-A1072 HydrophobicContact CE2-CB 3.6Å
1071	C	92.4	Very high	85.3	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.034	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.8	173.8	-168.6	0	0	0	0	109.9	C1038 R1041 C1047 E1054 W1055	C1038-C1071 WeakPolarHBondContact O-CB 3.49Å; C1038-C1071 PolarHBondContact O-SG 3.49Å; R1041-C1071 HydrophobicContact CB-CB 4.11Å; R1041-C1071 VanDerWaalsContact O-CB 3.25Å; R1041-C1071 WeakPolarHBondContact O-CB 3.48Å; C1047-C1071 HydrophobicContact CB-CB 3.6Å; C1047-C1071 WeakPolarHBondContact CB-SG 3.24Å; C1047-C1071 VanDerWaalsContact SG-CA 3.58Å; C1047-C1071 WeakPolarHBondContact SG-CB 3.28Å; C1047-C1071 CovalentContact SG-SG 2.03Å; C1047-C1071 PolarHBondContact SG-SG 2.99Å; E1054-C1071 WeakPolarHBondContact O-CA 3.25Å; W1055-C1071 HydrophobicContact CE3-CB 3.88Å; W1055-C1071 HydrophobicContact CZ3-CB 4Å
1072	A	91.1	Very high	85.7	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	163.3	-178.6	0	0	0	0	0	111.6	C1053 E1054 Y1070 E1076 C1077	C1053-A1072 WeakPolarHBondContact CA-O 3.47Å; E1054-A1072 PolarHBondContact N-O 2.75Å; E1054-A1072 PolarHBondContact O-N 3.34Å; Y1070-A1072 HydrophobicContact CD2-CB 3.94Å; Y1070-A1072 HydrophobicContact CE2-CB 3.6Å; A1072-E1076 HydrophobicContact CB-CB 4.28Å; A1072-E1076 HydrophobicContact CB-CG 4.31Å; A1072-C1077 HydrophobicContact CB-CB 4.05Å
1073	P	88	Confident	85.8	Confident	39 Å²	39	66.4 Å²	66.4	25%	0.253	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	152	171.5	-21.2	33.9	0	0	0	113	D1052 K1075 E1076 C1077	D1052-P1073 CarbonylContact O-C 3.53Å; D1052-P1073 WeakPolarHBondContact O-CA 3.4Å; P1073-K1075 PolarHBondContact O-N 3.41Å; P1073-K1075 VanDerWaalsContact O-N 3.08Å; P1073-E1076 PolarHBondContact O-N 3.48Å; P1073-C1077 PolarHBondContact O-N 2.9Å; P1073-C1077 VanDerWaalsContact O-N 3.12Å
1074	Q	83.3	Confident	85.7	Confident	26 Å²	26	59.5 Å²	59.5	12%	0.121	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.8	179.2	-84.2	-178	-2.2	0	0	114	A796 D1052 E1054 E1076 C1077	A796-Q1074 PolarHBondContact O-NE2 2.53Å; D1052-Q1074 PolarHBondContact O-N 3.17Å; E1054-Q1074 HydrophobicContact CG-CB 4.24Å; E1054-Q1074 HydrophobicContact CG-CG 3.39Å; Q1074-E1076 VanDerWaalsContact C-N 3.34Å; Q1074-C1077 CarbonylContact C-O 3.54Å; Q1074-C1077 VanDerWaalsContact CA-O 3.31Å; Q1074-C1077 WeakPolarHBondContact CA-O 3.41Å; Q1074-C1077 CarbonylContact O-C 3.53Å; Q1074-C1077 VanDerWaalsContact O-O 3.08Å
1075	K	80.3	Confident	85	Confident	179 Å²	179	63 Å²	63	78%	0.778	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.6	177.7	-177	177.5	178.8	177.9	0	113.3	P1073	P1073-K1075 PolarHBondContact O-N 3.41Å; P1073-K1075 VanDerWaalsContact O-N 3.08Å
1076	E	86.6	Confident	84	Confident	88 Å²	88	58.1 Å²	58.1	41%	0.411	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-30.8	179.1	-176.9	173.8	171.7	0	0	111.2	A1072 P1073 Q1074 G1083	A1072-E1076 HydrophobicContact CB-CB 4.28Å; A1072-E1076 HydrophobicContact CB-CG 4.31Å; P1073-E1076 PolarHBondContact O-N 3.48Å; Q1074-E1076 VanDerWaalsContact C-N 3.34Å; E1076-G1083 PolarHBondContact O-N 3.44Å
1077	C	86.1	Confident	82.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	122.9	-171.2	176.7	0	0	0	0	109.2	E1054 C1056 A1072 P1073 Q1074 I1081	E1054-C1077 HydrophobicContact CB-CB 4.45Å; E1054-C1077 WeakPolarHBondContact CB-O 3.49Å; E1054-C1077 WeakPolarHBondContact CG-O 3.42Å; C1056-C1077 WeakPolarHBondContact CA-SG 3.5Å; C1056-C1077 HydrophobicContact CB-CB 4.17Å; C1056-C1077 WeakPolarHBondContact CB-SG 3.47Å; C1056-C1077 WeakPolarHBondContact SG-CB 3.33Å; C1056-C1077 CovalentContact SG-SG 2.02Å; C1056-C1077 PolarHBondContact SG-SG 3.43Å; A1072-C1077 HydrophobicContact CB-CB 4.05Å; P1073-C1077 PolarHBondContact O-N 2.9Å; P1073-C1077 VanDerWaalsContact O-N 3.12Å; Q1074-C1077 CarbonylContact C-O 3.54Å; Q1074-C1077 VanDerWaalsContact CA-O 3.31Å; Q1074-C1077 WeakPolarHBondContact CA-O 3.41Å; Q1074-C1077 CarbonylContact O-C 3.53Å; Q1074-C1077 VanDerWaalsContact O-O 3.08Å; C1077-I1081 WeakPolarHBondContact CA-O 3.47Å
1078	F	84.1	Confident	81.4	Confident	30 Å²	30	53.6 Å²	53.6	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.8	-176.4	-173.5	-96.3	0	0	0	109.8	G1080 I1081 A1084 P1087	F1078-G1080 PolarHBondContact O-N 2.79Å; F1078-G1080 VanDerWaalsContact O-N 3.14Å; F1078-I1081 PolarHBondContact N-O 2.76Å; F1078-I1081 PolarHBondContact O-N 3.34Å; F1078-I1081 VanDerWaalsContact O-N 3.14Å; F1078-A1084 HydrophobicContact CB-CB 4.25Å; F1078-A1084 WeakPolarHBondContact CB-O 3.42Å; F1078-P1087 HydrophobicContact CE1-CG 4.22Å; F1078-P1087 VanDerWaalsContact CZ-CD 3.42Å; F1078-P1087 HydrophobicContact CZ-CG 4.12Å
1079	G	79.3	Confident	79.6	Confident	26 Å²	26	50.3 Å²	50.3	27%	0.268	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	19.2	-177.9	0	0	0	0	0	113.4	P870 E1054	P870-G1079 WeakPolarHBondContact CA-O 3.31Å; P870-G1079 WeakPolarHBondContact CB-O 3.13Å; E1054-G1079 PolarHBondContact OE2-N 2.85Å; E1054-G1079 VanDerWaalsContact OE2-N 3.11Å
1080	G	83.5	Confident	77.5	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	7	-177.1	0	0	0	0	0	115.7	W1055 V1057 V1058 F1078	W1055-G1080 VanDerWaalsContact O-CA 3.27Å; W1055-G1080 WeakPolarHBondContact O-CA 3.17Å; V1057-G1080 PolarHBondContact N-O 3.48Å; V1058-G1080 PolarHBondContact N-O 3.17Å; F1078-G1080 PolarHBondContact O-N 2.79Å; F1078-G1080 VanDerWaalsContact O-N 3.14Å
1081	I	85.4	Confident	75	Confident	33 Å²	33	53 Å²	53	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.3	175.2	-56.8	172.2	0	0	0	109.4	P870 V1058 D1059 C1077 F1078 A1084	P870-I1081 HydrophobicContact CB-CG1 4.19Å; P870-I1081 WeakPolarHBondContact O-CD1 3.31Å; V1058-I1081 HydrophobicContact CB-CG1 4.08Å; V1058-I1081 HydrophobicContact CG1-CG1 4.23Å; V1058-I1081 WeakPolarHBondContact O-CA 3.18Å; D1059-I1081 WeakPolarHBondContact O-CG2 3.25Å; C1077-I1081 WeakPolarHBondContact CA-O 3.47Å; F1078-I1081 PolarHBondContact N-O 2.76Å; F1078-I1081 PolarHBondContact O-N 3.34Å; F1078-I1081 VanDerWaalsContact O-N 3.14Å; I1081-A1084 HydrophobicContact CB-CB 3.74Å; I1081-A1084 HydrophobicContact CG2-CB 3.87Å; I1081-A1084 PolarHBondContact O-N 2.78Å
1082	V	86.6	Confident	72.6	Confident	27 Å²	27	59.3 Å²	59.3	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.7	178	177.2	0	0	0	0	110.6	C1056 V1058 S1060 L1066 A1084	C1056-V1082 HydrophobicContact CB-CG2 4.07Å; V1058-V1082 PolarHBondContact O-N 3.43Å; S1060-V1082 WeakPolarHBondContact CA-O 3.45Å; L1066-V1082 HydrophobicContact CD1-CG2 3.78Å; L1066-V1082 HydrophobicContact CD2-CG2 4.4Å; V1082-A1084 PolarHBondContact O-N 2.82Å; V1082-A1084 VanDerWaalsContact O-N 3.14Å
1083	G	81.6	Confident	70	Confident	56 Å²	56	62.6 Å²	62.6	58%	0.577	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	7.4	178.5	0	0	0	0	0	114.9	E1076 K1085	E1076-G1083 PolarHBondContact O-N 3.44Å; G1083-K1085 PolarHBondContact O-N 3.39Å
1084	A	78.3	Confident	67.3	Low	28 Å²	28	63.1 Å²	63.1	23%	0.231	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.3	129.3	172.6	0	0	0	0	0	109.9	F1078 I1081 V1082 S1086	F1078-A1084 HydrophobicContact CB-CB 4.25Å; F1078-A1084 WeakPolarHBondContact CB-O 3.42Å; I1081-A1084 HydrophobicContact CB-CB 3.74Å; I1081-A1084 HydrophobicContact CG2-CB 3.87Å; I1081-A1084 PolarHBondContact O-N 2.78Å; V1082-A1084 PolarHBondContact O-N 2.82Å; V1082-A1084 VanDerWaalsContact O-N 3.14Å; A1084-S1086 PolarHBondContact O-N 3.48Å
1085	K	69.5	Low	65.2	Low	140 Å²	140	69.2 Å²	69.2	61%	0.609	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-67.8	132.5	176.7	-66.8	-172.9	178.2	-175	0	109.1	G1083	G1083-K1085 PolarHBondContact O-N 3.39Å
1086	S	66.4	Low	62.9	Low	16 Å²	16	63.5 Å²	63.5	11%	0.112	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-56.8	144.7	165	-177.2	0	0	0	0	109.3	A1084 Y1088	A1084-S1086 PolarHBondContact O-N 3.48Å; S1086-Y1088 CarbonylContact O-C 3.46Å; S1086-Y1088 VanDerWaalsContact O-C 3.3Å; S1086-Y1088 PolarHBondContact O-N 3.26Å; S1086-Y1088 PolarHBondContact OG-N 3.38Å
1087	P	59.5	Low	60.2	Low	65 Å²	65	65.4 Å²	65.4	42%	0.422	40%	0.404	S	S	.	.	S	Bend	trans	-56.7	-15.9	171.1	20.3	-30.2	0	0	0	112.7	L791 Y798 F1078 V1089	L791-P1087 HydrophobicContact CD1-CB 4.15Å; L791-P1087 HydrophobicContact CD1-CG 4.14Å; L791-P1087 HydrophobicContact CD2-CG 3.75Å; Y798-P1087 HydrophobicContact CE2-CG 4.35Å; F1078-P1087 HydrophobicContact CE1-CG 4.22Å; F1078-P1087 VanDerWaalsContact CZ-CD 3.42Å; F1078-P1087 HydrophobicContact CZ-CG 4.12Å; P1087-V1089 PolarHBondContact O-N 2.79Å
1088	Y	56.7	Low	57.7	Low	53 Å²	53	70.4 Å²	70.4	21%	0.208	43%	0.427	C	S	.	.	S	Bend	trans	-85.1	94.4	160.9	-64.8	-70.7	0	0	0	110.2	K659 L791 D792 V793 S1086 D1090	K659-Y1088 PolarHBondContact NZ-O 3.39Å; L791-Y1088 HydrophobicContact CB-CE2 3.94Å; L791-Y1088 WeakPolarHBondContact CB-OH 3.02Å; L791-Y1088 HydrophobicContact CD2-CE2 3.9Å; L791-Y1088 HydrophobicContact CG-CE2 4.37Å; L791-Y1088 PolarHBondContact O-OH 2.99Å; D792-Y1088 PolarHBondContact N-OH 3.21Å; D792-Y1088 WeakPolarHBondContact O-CE2 3.27Å; D792-Y1088 PolarHBondContact O-OH 3.32Å; V793-Y1088 WeakPolarHBondContact CA-OH 3.33Å; V793-Y1088 PolarHBondContact N-OH 3.02Å; S1086-Y1088 CarbonylContact O-C 3.46Å; S1086-Y1088 VanDerWaalsContact O-C 3.3Å; S1086-Y1088 PolarHBondContact O-N 3.26Å; S1086-Y1088 PolarHBondContact OG-N 3.38Å; Y1088-D1090 PolarHBondContact O-N 2.61Å
1089	V	50.2	Low	55.5	Low	108 Å²	108	73.8 Å²	73.8	66%	0.655	45%	0.45	S	S	*	.			trans	-33.5	107.9	174	-173.7	0	0	0	0	111	P1087 D1091	P1087-V1089 PolarHBondContact O-N 2.79Å; V1089-D1091 PolarHBondContact O-N 3.18Å
1090	D	45.3	Very low	53.4	Low	79 Å²	79	78.1 Å²	78.1	42%	0.422	47%	0.466	S	S	.	.	S	Bend	trans	-78.2	14.8	-177.8	-81.2	-43.5	0	0	0	114	K659 Y1088	K659-D1090 WeakPolarHBondContact CE-OD1 3.41Å; K659-D1090 IonicContact NZ-OD1 3.62Å; K659-D1090 PolarHBondContact NZ-OD1 3.39Å; Y1088-D1090 PolarHBondContact O-N 2.61Å
1091	D	41.3	Very low	50.8	Low	112 Å²	112	81.3 Å²	81.3	60%	0.599	49%	0.485	S	S	*	.			trans	-132.8	99.7	178.8	-116.1	-24.2	0	0	0	111.6	V1089 G1093	V1089-D1091 PolarHBondContact O-N 3.18Å; D1091-G1093 PolarHBondContact O-N 3.12Å; D1091-G1093 VanDerWaalsContact O-N 3.08Å
1092	M	41.6	Very low	48.4	Very low	138 Å²	138	86 Å²	86	68%	0.68	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	22.8	170.9	-84.9	-170	178	0	0	113.3	Y1019	Y1019-M1092 HydrophobicContact CD1-CE 4.03Å; Y1019-M1092 HydrophobicContact CE1-CE 3.86Å
1093	G	35.9	Very low	45.9	Very low	70 Å²	70	90.1 Å²	90.1	72%	0.722	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-13.6	-174.5	0	0	0	0	0	117.3	D1091	D1091-G1093 PolarHBondContact O-N 3.12Å; D1091-G1093 VanDerWaalsContact O-N 3.08Å
1094	A	31.2	Very low	43.4	Very low	50 Å²	50	94.7 Å²	94.7	41%	0.413	54%	0.539	S	S	.	.			trans	-128.2	33.3	-164.2	0	0	0	0	0	115.2	G1096	A1094-G1096 PolarHBondContact O-N 2.02Å
1095	I	39	Very low	41.2	Very low	153 Å²	153	100.1 Å²	100.1	79%	0.785	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-2	179.3	-62.1	176.6	0	0	0	112.8
1096	G	33.6	Very low	39.4	Very low	59 Å²	59	102 Å²	102	61%	0.608	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-38.9	176.5	0	0	0	0	0	116.2	A1094	A1094-G1096 PolarHBondContact O-N 2.02Å
1097	D	29.1	Very low	37.9	Very low	128 Å²	128	105.3 Å²	105.3	68%	0.684	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-21.5	-159.7	-79.3	-23.7	0	0	0	115.6
1098	E	34.5	Very low	37.1	Very low	105 Å²	105	105.6 Å²	105.6	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-89.4	-11.9	-176.5	-81	-167.7	148.9	0	0	115.5	I1100 T1101 L1102	E1098-I1100 PolarHBondContact O-N 2.88Å; E1098-T1101 WeakPolarHBondContact CA-OG1 3.5Å; E1098-T1101 PolarHBondContact O-N 3.27Å; E1098-T1101 PolarHBondContact O-OG1 3.42Å; E1098-L1102 PolarHBondContact O-N 2.79Å; E1098-L1102 VanDerWaalsContact O-N 3.11Å
1099	V	36.7	Very low	36.2	Very low	101 Å²	101	107.6 Å²	107.6	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-68.1	-17.1	169	-176.6	0	0	0	0	111.1	N1103	V1099-N1103 PolarHBondContact O-ND2 2.88Å; V1099-N1103 VanDerWaalsContact O-ND2 3.11Å
1100	I	34.8	Very low	36.2	Very low	118 Å²	118	106.9 Å²	106.9	61%	0.605	62%	0.617	S	S	*	*	H	α-helix	trans	-86	-32.8	175.2	-56.8	177.9	0	0	0	111.1	E1098	E1098-I1100 PolarHBondContact O-N 2.88Å
1101	T	30.4	Very low	36.3	Very low	69 Å²	69	106 Å²	106	42%	0.423	63%	0.626	S	S	.	*	H	α-helix	trans	-84.7	-33.2	-177.7	55.7	0	0	0	0	113.3	E1098 N1103 M1104	E1098-T1101 WeakPolarHBondContact CA-OG1 3.5Å; E1098-T1101 PolarHBondContact O-N 3.27Å; E1098-T1101 PolarHBondContact O-OG1 3.42Å; T1101-N1103 VanDerWaalsContact C-N 3.27Å; T1101-N1103 PolarHBondContact O-N 3.48Å; T1101-M1104 WeakPolarHBondContact O-CB 3.47Å; T1101-M1104 PolarHBondContact O-N 2.79Å
1102	L	34.6	Very low	37.1	Very low	130 Å²	130	105.3 Å²	105.3	68%	0.681	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-23.6	176.9	-132	90.2	0	0	0	113.3	E1098 M1104	E1098-L1102 PolarHBondContact O-N 2.79Å; E1098-L1102 VanDerWaalsContact O-N 3.11Å; L1102-M1104 VanDerWaalsContact C-N 3.28Å
1103	N	32.7	Very low	38	Very low	114 Å²	114	103 Å²	103	61%	0.61	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-12.2	171.3	-81.8	-38.2	0	0	0	113.3	V1099 T1101	V1099-N1103 PolarHBondContact O-ND2 2.88Å; V1099-N1103 VanDerWaalsContact O-ND2 3.11Å; T1101-N1103 VanDerWaalsContact C-N 3.27Å; T1101-N1103 PolarHBondContact O-N 3.48Å
1104	M	29.2	Very low	39.3	Very low	152 Å²	152	101.6 Å²	101.6	75%	0.749	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-15.1	179.3	-105.6	-175.6	153.8	0	0	114.3	T1101 L1102	T1101-M1104 WeakPolarHBondContact O-CB 3.47Å; T1101-M1104 PolarHBondContact O-N 2.79Å; L1102-M1104 VanDerWaalsContact C-N 3.28Å
1105	I	32.4	Very low	41	Very low	142 Å²	142	101.3 Å²	101.3	73%	0.728	61%	0.605	S	S	*	*	S	Bend	trans	-94.8	-7.3	179.9	-54.7	177	0	0	0	112.2	S1107	I1105-S1107 PolarHBondContact O-N 3.21Å
1106	K	32.2	Very low	42.7	Very low	180 Å²	180	95.9 Å²	95.9	78%	0.783	59%	0.587	S	S	*	*			trans	-84.6	25.8	172.4	-74	-173.8	178.5	177.2	0	114.4
1107	S	34.4	Very low	45	Very low	86 Å²	86	97.7 Å²	97.7	60%	0.601	58%	0.582	S	S	*	*	S	Bend	trans	-87.4	126.1	161.5	55.6	0	0	0	0	108.9	I1105	I1105-S1107 PolarHBondContact O-N 3.21Å
1108	A	43.1	Very low	47.4	Very low	70 Å²	70	97.6 Å²	97.6	58%	0.579	58%	0.578	S	S	*	*			trans	-41.4	153.4	165	0	0	0	0	0	110.8	V1110	A1108-V1110 WeakPolarHBondContact O-CG2 3.17Å; A1108-V1110 PolarHBondContact O-N 3.21Å
1109	P	37.6	Very low	49.8	Very low	96 Å²	96	94.1 Å²	94.1	62%	0.623	57%	0.571	S	S	*	*			trans	-68.8	79.5	178.4	31.1	-33.8	0	0	0	108.8	G1111 P1112	P1109-G1111 PolarHBondContact O-N 3.22Å; P1109-P1112 HydrophobicContact CB-CG 4.32Å; P1109-P1112 WeakPolarHBondContact O-CD 3.2Å
1110	V	50.2	Low	52.1	Low	93 Å²	93	93.2 Å²	93.2	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-69.6	-24.2	176.8	179.1	0	0	0	0	109	A1108 A1114	A1108-V1110 WeakPolarHBondContact O-CG2 3.17Å; A1108-V1110 PolarHBondContact O-N 3.21Å; V1110-A1114 HydrophobicContact CG1-CB 3.99Å; V1110-A1114 WeakPolarHBondContact O-CA 3.39Å; V1110-A1114 WeakPolarHBondContact O-CB 3.16Å; V1110-A1114 PolarHBondContact O-N 2.87Å
1111	G	48.6	Very low	54.6	Low	59 Å²	59	91.8 Å²	91.8	61%	0.608	56%	0.561	S	S	*	*	H	α-helix	trans	-58.1	-58.4	179.2	0	0	0	0	0	114.3	P1109 G1115	P1109-G1111 PolarHBondContact O-N 3.22Å; G1111-G1115 PolarHBondContact O-N 3.17Å
1112	P	56.9	Low	57.3	Low	99 Å²	99	94.6 Å²	94.6	64%	0.643	57%	0.571	S	S	*	*	H	α-helix	trans	-67.4	-38.5	179.4	-22	33.1	0	0	0	113.3	P1109 G1116	P1109-P1112 HydrophobicContact CB-CG 4.32Å; P1109-P1112 WeakPolarHBondContact O-CD 3.2Å; P1112-G1116 PolarHBondContact O-N 2.64Å
1113	V	61.3	Low	59.9	Low	90 Å²	90	93 Å²	93	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-74.9	-42.3	-177.7	-177.9	0	0	0	0	111.4	G1115 G1116 I1117	V1113-G1115 VanDerWaalsContact C-N 3.35Å; V1113-G1116 PolarHBondContact O-N 3.15Å; V1113-I1117 HydrophobicContact CG1-CD1 3.95Å; V1113-I1117 WeakPolarHBondContact O-CB 3.08Å; V1113-I1117 VanDerWaalsContact O-CG1 3.24Å; V1113-I1117 WeakPolarHBondContact O-CG1 3.33Å; V1113-I1117 PolarHBondContact O-N 3.17Å
1114	A	62.3	Low	62.5	Low	39 Å²	39	93 Å²	93	32%	0.322	57%	0.565	S	S	.	*	H	α-helix	trans	-69.4	-34.2	173	0	0	0	0	0	111.5	V1110 I1117 M1118	V1110-A1114 HydrophobicContact CG1-CB 3.99Å; V1110-A1114 WeakPolarHBondContact O-CA 3.39Å; V1110-A1114 WeakPolarHBondContact O-CB 3.16Å; V1110-A1114 PolarHBondContact O-N 2.87Å; A1114-I1117 PolarHBondContact O-N 3.18Å; A1114-M1118 WeakPolarHBondContact O-CB 3.36Å; A1114-M1118 WeakPolarHBondContact O-CG 3.13Å; A1114-M1118 PolarHBondContact O-N 3.44Å
1115	G	68.5	Low	65.4	Low	45 Å²	45	90.1 Å²	90.1	46%	0.464	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-41.8	170.2	0	0	0	0	0	112.4	G1111 V1113 G1119	G1111-G1115 PolarHBondContact O-N 3.17Å; V1113-G1115 VanDerWaalsContact C-N 3.35Å; G1115-G1119 PolarHBondContact O-N 2.77Å
1116	G	74.5	Confident	68	Low	39 Å²	39	88.3 Å²	88.3	40%	0.402	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-47.8	174	0	0	0	0	0	112.6	P1112 V1113 G1119 C1120	P1112-G1116 PolarHBondContact O-N 2.64Å; V1113-G1116 PolarHBondContact O-N 3.15Å; G1116-G1119 PolarHBondContact O-N 3.36Å; G1116-C1120 PolarHBondContact O-N 3.5Å; G1116-C1120 PolarHBondContact O-SG 3.37Å; G1116-C1120 VanDerWaalsContact O-SG 3.33Å
1117	I	80.1	Confident	70.3	Confident	97 Å²	97	82.3 Å²	82.3	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-44.2	177.9	-66.6	165.3	0	0	0	110.8	V1113 A1114 G1119 C1120 I1121	V1113-I1117 HydrophobicContact CG1-CD1 3.95Å; V1113-I1117 WeakPolarHBondContact O-CB 3.08Å; V1113-I1117 VanDerWaalsContact O-CG1 3.24Å; V1113-I1117 WeakPolarHBondContact O-CG1 3.33Å; V1113-I1117 PolarHBondContact O-N 3.17Å; A1114-I1117 PolarHBondContact O-N 3.18Å; I1117-G1119 VanDerWaalsContact C-N 3.32Å; I1117-G1119 PolarHBondContact O-N 3.33Å; I1117-C1120 PolarHBondContact O-N 2.87Å; I1117-I1121 HydrophobicContact CG2-CD1 3.79Å; I1117-I1121 HydrophobicContact CG2-CG1 4.44Å; I1117-I1121 WeakPolarHBondContact O-CB 3.38Å; I1117-I1121 VanDerWaalsContact O-CG1 3.25Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.47Å; I1117-I1121 PolarHBondContact O-N 3.44Å
1118	M	80.9	Confident	72.8	Confident	125 Å²	125	82 Å²	82	62%	0.616	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-36.9	175.6	-74.4	-73.5	-74.7	0	0	111.8	A1114 I1121 M1122	A1114-M1118 WeakPolarHBondContact O-CB 3.36Å; A1114-M1118 WeakPolarHBondContact O-CG 3.13Å; A1114-M1118 PolarHBondContact O-N 3.44Å; M1118-I1121 PolarHBondContact O-N 3.43Å; M1118-M1122 VanDerWaalsContact O-CB 3.32Å; M1118-M1122 WeakPolarHBondContact O-CB 3.29Å; M1118-M1122 PolarHBondContact O-N 2.91Å
1119	G	85	Confident	74.7	Confident	33 Å²	33	86 Å²	86	34%	0.34	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-48.5	172.4	0	0	0	0	0	112.1	G1115 G1116 I1117 I1121 M1122 V1123	G1115-G1119 PolarHBondContact O-N 2.77Å; G1116-G1119 PolarHBondContact O-N 3.36Å; I1117-G1119 VanDerWaalsContact C-N 3.32Å; I1117-G1119 PolarHBondContact O-N 3.33Å; G1119-I1121 PolarHBondContact O-N 2.85Å; G1119-M1122 PolarHBondContact O-N 3.27Å; G1119-V1123 VanDerWaalsContact O-CG2 3.31Å; G1119-V1123 WeakPolarHBondContact O-CG2 3.37Å; G1119-V1123 PolarHBondContact O-N 3.28Å
1120	C	84.1	Confident	76.7	Confident	81 Å²	81	83.9 Å²	83.9	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176.2	-69.8	0	0	0	0	112.2	G1116 I1117 V1123 L1124	G1116-C1120 PolarHBondContact O-N 3.5Å; G1116-C1120 PolarHBondContact O-SG 3.37Å; G1116-C1120 VanDerWaalsContact O-SG 3.33Å; I1117-C1120 PolarHBondContact O-N 2.87Å; C1120-V1123 PolarHBondContact O-N 2.98Å; C1120-L1124 WeakPolarHBondContact O-CB 3.12Å; C1120-L1124 PolarHBondContact O-N 3.5Å
1121	I	86.9	Confident	78.2	Confident	88 Å²	88	86.7 Å²	86.7	45%	0.451	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-43.2	175.9	-68.3	169.6	0	0	0	110.6	I1117 M1118 G1119 V1123 L1124 V1125	I1117-I1121 HydrophobicContact CG2-CD1 3.79Å; I1117-I1121 HydrophobicContact CG2-CG1 4.44Å; I1117-I1121 WeakPolarHBondContact O-CB 3.38Å; I1117-I1121 VanDerWaalsContact O-CG1 3.25Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.47Å; I1117-I1121 PolarHBondContact O-N 3.44Å; M1118-I1121 PolarHBondContact O-N 3.43Å; G1119-I1121 PolarHBondContact O-N 2.85Å; I1121-V1123 PolarHBondContact O-N 2.75Å; I1121-L1124 PolarHBondContact O-N 3.42Å; I1121-V1125 HydrophobicContact CG2-CG2 4.26Å; I1121-V1125 WeakPolarHBondContact O-CB 3.4Å; I1121-V1125 VanDerWaalsContact O-CG2 3.24Å; I1121-V1125 WeakPolarHBondContact O-CG2 3.43Å; I1121-V1125 PolarHBondContact O-N 3.13Å
1122	M	88.4	Confident	79.5	Confident	128 Å²	128	92.7 Å²	92.7	63%	0.631	52%	0.523	S	S	*	.	H	α-helix	trans	-59.3	-44.5	174.5	-94.3	-96.5	-143.3	0	0	112	M1118 G1119 V1125 L1126	M1118-M1122 VanDerWaalsContact O-CB 3.32Å; M1118-M1122 WeakPolarHBondContact O-CB 3.29Å; M1118-M1122 PolarHBondContact O-N 2.91Å; G1119-M1122 PolarHBondContact O-N 3.27Å; M1122-V1125 PolarHBondContact O-N 3.1Å; M1122-L1126 WeakPolarHBondContact O-CB 3.33Å; M1122-L1126 WeakPolarHBondContact O-CG 3.4Å; M1122-L1126 PolarHBondContact O-N 2.8Å
1123	V	89.3	Confident	80.2	Confident	98 Å²	98	92.6 Å²	92.6	59%	0.594	51%	0.514	S	S	*	.	H	α-helix	trans	-65	-41.8	177.2	172.4	0	0	0	0	110.9	G1119 C1120 I1121 L1126 A1127	G1119-V1123 VanDerWaalsContact O-CG2 3.31Å; G1119-V1123 WeakPolarHBondContact O-CG2 3.37Å; G1119-V1123 PolarHBondContact O-N 3.28Å; C1120-V1123 PolarHBondContact O-N 2.98Å; I1121-V1123 PolarHBondContact O-N 2.75Å; V1123-L1126 PolarHBondContact O-N 2.77Å; V1123-A1127 VanDerWaalsContact O-CB 3.25Å; V1123-A1127 WeakPolarHBondContact O-CB 3.42Å; V1123-A1127 PolarHBondContact O-N 3.46Å
1124	L	87.5	Confident	80.5	Confident	112 Å²	112	93.8 Å²	93.8	59%	0.586	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-41.8	174.8	-88	164.2	0	0	0	112.3	C1120 I1121 A1127 V1128	C1120-L1124 WeakPolarHBondContact O-CB 3.12Å; C1120-L1124 PolarHBondContact O-N 3.5Å; I1121-L1124 PolarHBondContact O-N 3.42Å; L1124-A1127 PolarHBondContact O-N 2.96Å; L1124-V1128 WeakPolarHBondContact O-CB 2.92Å; L1124-V1128 VanDerWaalsContact O-CG2 3.27Å; L1124-V1128 WeakPolarHBondContact O-CG2 3.37Å; L1124-V1128 PolarHBondContact O-N 2.92Å
1125	V	89.1	Confident	80.6	Confident	92 Å²	92	96 Å²	96	56%	0.558	52%	0.52	S	S	*	.	H	α-helix	trans	-65.7	-42	176.5	170.3	0	0	0	0	110.6	I1121 M1122 V1128 Y1129	I1121-V1125 HydrophobicContact CG2-CG2 4.26Å; I1121-V1125 WeakPolarHBondContact O-CB 3.4Å; I1121-V1125 VanDerWaalsContact O-CG2 3.24Å; I1121-V1125 WeakPolarHBondContact O-CG2 3.43Å; I1121-V1125 PolarHBondContact O-N 3.13Å; M1122-V1125 PolarHBondContact O-N 3.1Å; V1125-V1128 PolarHBondContact O-N 2.98Å; V1125-Y1129 WeakPolarHBondContact O-CB 3.13Å; V1125-Y1129 PolarHBondContact O-N 2.85Å
1126	L	86.8	Confident	80	Confident	105 Å²	105	100.7 Å²	100.7	55%	0.55	53%	0.529	S	S	.	.	H	α-helix	trans	-65.8	-38.1	174.4	-80.2	166.2	0	0	0	112	M1122 V1123 Y1129 A1130	M1122-L1126 WeakPolarHBondContact O-CB 3.33Å; M1122-L1126 WeakPolarHBondContact O-CG 3.4Å; M1122-L1126 PolarHBondContact O-N 2.8Å; V1123-L1126 PolarHBondContact O-N 2.77Å; L1126-Y1129 PolarHBondContact O-N 3.22Å; L1126-A1130 WeakPolarHBondContact O-CB 3.45Å; L1126-A1130 PolarHBondContact O-N 3.14Å
1127	A	81.8	Confident	78.9	Confident	54 Å²	54	108.1 Å²	108.1	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-66.8	-43	175.4	0	0	0	0	0	111.4	V1123 L1124 A1130 Y1131	V1123-A1127 VanDerWaalsContact O-CB 3.25Å; V1123-A1127 WeakPolarHBondContact O-CB 3.42Å; V1123-A1127 PolarHBondContact O-N 3.46Å; L1124-A1127 PolarHBondContact O-N 2.96Å; A1127-A1130 PolarHBondContact O-N 3.41Å; A1127-Y1131 WeakPolarHBondContact O-CB 3.37Å; A1127-Y1131 PolarHBondContact O-N 2.98Å
1128	V	85.6	Confident	77.3	Confident	80 Å²	80	113.1 Å²	113.1	49%	0.485	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-37.6	174.8	172	0	0	0	0	111.2	L1124 V1125 R1132	L1124-V1128 WeakPolarHBondContact O-CB 2.92Å; L1124-V1128 VanDerWaalsContact O-CG2 3.27Å; L1124-V1128 WeakPolarHBondContact O-CG2 3.37Å; L1124-V1128 PolarHBondContact O-N 2.92Å; V1125-V1128 PolarHBondContact O-N 2.98Å; V1128-R1132 VanDerWaalsContact O-CB 3.31Å; V1128-R1132 WeakPolarHBondContact O-CB 3.34Å; V1128-R1132 PolarHBondContact O-N 3.2Å
1129	Y	84.3	Confident	75.6	Confident	154 Å²	154	110.9 Å²	110.9	60%	0.604	55%	0.554	S	S	*	*	H	α-helix	trans	-66.4	-46.2	174.7	179.7	-95.3	0	0	0	111.2	V1125 L1126 R1132 H1133	V1125-Y1129 WeakPolarHBondContact O-CB 3.13Å; V1125-Y1129 PolarHBondContact O-N 2.85Å; L1126-Y1129 PolarHBondContact O-N 3.22Å; Y1129-R1132 PolarHBondContact O-N 3.1Å; Y1129-H1133 WeakPolarHBondContact O-CB 3.46Å; Y1129-H1133 PolarHBondContact O-N 2.96Å
1130	A	79.5	Confident	73.6	Confident	50 Å²	50	117.1 Å²	117.1	41%	0.413	57%	0.574	S	S	.	*	H	α-helix	trans	-63.4	-42.1	175.3	0	0	0	0	0	111.2	L1126 A1127 H1133 Q1134	L1126-A1130 WeakPolarHBondContact O-CB 3.45Å; L1126-A1130 PolarHBondContact O-N 3.14Å; A1127-A1130 PolarHBondContact O-N 3.41Å; A1130-H1133 PolarHBondContact O-N 2.73Å; A1130-Q1134 WeakPolarHBondContact O-CB 3.26Å; A1130-Q1134 PolarHBondContact O-N 3.11Å
1131	Y	79.8	Confident	71.4	Confident	153 Å²	153	122.2 Å²	122.2	60%	0.6	59%	0.59	S	S	*	*	H	α-helix	trans	-63.4	-47.1	175.8	-178	-103.4	0	0	0	111.8	A1127 H1133 Q1134 I1135	A1127-Y1131 WeakPolarHBondContact O-CB 3.37Å; A1127-Y1131 PolarHBondContact O-N 2.98Å; Y1131-H1133 PolarHBondContact O-N 3.33Å; Y1131-Q1134 PolarHBondContact O-N 2.02Å; Y1131-I1135 HydrophobicContact CD1-CD1 3.81Å; Y1131-I1135 HydrophobicContact CD2-CD1 4.46Å; Y1131-I1135 HydrophobicContact CE1-CD1 3.28Å; Y1131-I1135 HydrophobicContact CE1-CG1 4.49Å; Y1131-I1135 HydrophobicContact CE2-CD1 4.01Å; Y1131-I1135 HydrophobicContact CG-CD1 4.38Å; Y1131-I1135 WeakPolarHBondContact O-CB 3.28Å; Y1131-I1135 WeakPolarHBondContact O-CG1 3.29Å; Y1131-I1135 PolarHBondContact O-N 3.14Å
1132	R	77.1	Confident	68.8	Low	185 Å²	185	127.1 Å²	127.1	70%	0.698	61%	0.61	S	S	*	*	H	α-helix	trans	-63.5	-40.9	173.9	-86.4	-168.1	168.9	-168.2	-1.4	111.8	V1128 Y1129 Q1134 I1135 H1136	V1128-R1132 VanDerWaalsContact O-CB 3.31Å; V1128-R1132 WeakPolarHBondContact O-CB 3.34Å; V1128-R1132 PolarHBondContact O-N 3.2Å; Y1129-R1132 PolarHBondContact O-N 3.1Å; R1132-Q1134 VanDerWaalsContact C-N 3.34Å; R1132-I1135 PolarHBondContact O-N 2.73Å; R1132-H1136 WeakPolarHBondContact O-CB 3.49Å; R1132-H1136 PolarHBondContact O-N 2.91Å
1133	H	72.2	Confident	66	Low	96 Å²	96	129.8 Å²	129.8	44%	0.444	62%	0.623	S	S	.	*	H	α-helix	trans	-68.8	-34.6	179.2	-170.2	22.4	0	0	0	111.6	Y1129 A1130 Y1131 H1136 R1137	Y1129-H1133 WeakPolarHBondContact O-CB 3.46Å; Y1129-H1133 PolarHBondContact O-N 2.96Å; A1130-H1133 PolarHBondContact O-N 2.73Å; Y1131-H1133 PolarHBondContact O-N 3.33Å; H1133-H1136 PolarHBondContact O-N 2.9Å; H1133-R1137 WeakPolarHBondContact O-CB 3.43Å; H1133-R1137 PolarHBondContact O-N 3.04Å
1134	Q	67.3	Low	63.1	Low	116 Å²	116	130.1 Å²	130.1	54%	0.542	63%	0.63	S	S	.	*	H	α-helix	trans	-73.8	-34.4	175.9	-167.4	164	10	0	0	112.2	A1130 Y1131 R1132 R1137 R1138	A1130-Q1134 WeakPolarHBondContact O-CB 3.26Å; A1130-Q1134 PolarHBondContact O-N 3.11Å; Y1131-Q1134 PolarHBondContact O-N 2.02Å; R1132-Q1134 VanDerWaalsContact C-N 3.34Å; Q1134-R1137 PolarHBondContact O-N 2.96Å; Q1134-R1138 WeakPolarHBondContact O-CG 3.47Å; Q1134-R1138 PolarHBondContact O-N 3.49Å; Q1134-R1138 VanDerWaalsContact O-N 3.11Å
1135	I	64.4	Low	61.1	Low	86 Å²	86	129.6 Å²	129.6	44%	0.441	63%	0.634	S	S	.	*	H	α-helix	trans	-68.6	-41.2	169.7	-73.2	175.5	0	0	0	110.9	Y1131 R1132 R1137 R1138 S1139	Y1131-I1135 HydrophobicContact CD1-CD1 3.81Å; Y1131-I1135 HydrophobicContact CD2-CD1 4.46Å; Y1131-I1135 HydrophobicContact CE1-CD1 3.28Å; Y1131-I1135 HydrophobicContact CE1-CG1 4.49Å; Y1131-I1135 HydrophobicContact CE2-CD1 4.01Å; Y1131-I1135 HydrophobicContact CG-CD1 4.38Å; Y1131-I1135 WeakPolarHBondContact O-CB 3.28Å; Y1131-I1135 WeakPolarHBondContact O-CG1 3.29Å; Y1131-I1135 PolarHBondContact O-N 3.14Å; R1132-I1135 PolarHBondContact O-N 2.73Å; I1135-R1137 VanDerWaalsContact C-N 3.31Å; I1135-R1137 PolarHBondContact O-N 3.33Å; I1135-R1138 PolarHBondContact O-N 3.12Å; I1135-R1138 VanDerWaalsContact O-N 3.1Å; I1135-S1139 PolarHBondContact O-N 3.32Å
1136	H	55.4	Low	58.3	Low	142 Å²	142	133.2 Å²	133.2	66%	0.657	65%	0.649	S	S	*	*	H	α-helix	trans	-67.9	-29.5	175.9	-120	-73.4	0	0	0	112.9	R1132 H1133 R1138 S1139	R1132-H1136 WeakPolarHBondContact O-CB 3.49Å; R1132-H1136 PolarHBondContact O-N 2.91Å; H1133-H1136 PolarHBondContact O-N 2.9Å; H1136-R1138 VanDerWaalsContact C-N 3.34Å; H1136-S1139 PolarHBondContact O-OG 3.44Å
1137	R	51.6	Low	55.5	Low	196 Å²	196	132.5 Å²	132.5	74%	0.74	66%	0.658	S	S	*	*	H	α-helix	trans	-73.7	-24.5	170.8	-111.8	180	169	179	-2.7	112.9	H1133 Q1134 I1135	H1133-R1137 WeakPolarHBondContact O-CB 3.43Å; H1133-R1137 PolarHBondContact O-N 3.04Å; Q1134-R1137 PolarHBondContact O-N 2.96Å; I1135-R1137 VanDerWaalsContact C-N 3.31Å; I1135-R1137 PolarHBondContact O-N 3.33Å
1138	R	47.3	Very low	52.9	Low	202 Å²	202	133.8 Å²	133.8	76%	0.762	67%	0.668	S	S	*	*	H	α-helix	trans	-86.2	-9	178.2	-81.3	-177.1	172.2	-178.9	-1.2	114.3	Q1134 I1135 H1136	Q1134-R1138 WeakPolarHBondContact O-CG 3.47Å; Q1134-R1138 PolarHBondContact O-N 3.49Å; Q1134-R1138 VanDerWaalsContact O-N 3.11Å; I1135-R1138 PolarHBondContact O-N 3.12Å; I1135-R1138 VanDerWaalsContact O-N 3.1Å; H1136-R1138 VanDerWaalsContact C-N 3.34Å
1139	S	45.1	Very low	50.3	Low	78 Å²	78	137.5 Å²	137.5	55%	0.545	68%	0.681	S	S	.	*	S	Bend	trans	-88.7	-3.1	179.4	80.7	0	0	0	0	115	I1135 H1136	I1135-S1139 PolarHBondContact O-N 3.32Å; H1136-S1139 PolarHBondContact O-OG 3.44Å
1140	H	42.6	Very low	47.8	Very low	164 Å²	164	137 Å²	137	76%	0.759	68%	0.684	S	S	*	*	S	Bend	trans	-125.7	72.6	173.2	-82.8	-62.3	0	0	0	111
1141	Q	37.1	Very low	45.3	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	70%	0.699	S	S	*	*			trans	-171.2	101.1	149.9	-103.7	162.6	12.8	0	0	108.5
1142	H	32.9	Very low	42.9	Very low	190 Å²	190	138.8 Å²	138.8	88%	0.88	70%	0.701	S	S	*	*			trans	-69.5	135.9	167	-81.6	-77.2	0	0	0	110.2
1143	M	29.8	Very low	40.6	Very low	184 Å²	184	135.9 Å²	135.9	91%	0.906	70%	0.703	S	S	*	*				162.4	124.1	125.4	-94.8	165.9	62.8	0	0	111.1
1144	S	28.2	Very low	38.4	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	72%	0.724	S	S	*	*			trans	-70.7	179	158	56.4	0	0	0	0	111
1145	P	45.7	Very low	36.5	Very low	102 Å²	102	144.7 Å²	144.7	66%	0.662	74%	0.737	S	S	*	*			cis	-138.8	-179.1	1	36.5	-15.3	0	0	0	115.6
1146	L	29.2	Very low	34.8	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	76%	0.755	S	S	*	*			trans	72	136.2	145.8	-83.7	152.1	0	0	0	122
1147	A	28.5	Very low	33.4	Very low	90 Å²	90	146.3 Å²	146.3	74%	0.744	76%	0.76	S	S	*	*			trans	117.5	122.9	136.3	0	0	0	0	0	118.6
1148	A	28.2	Very low	32.4	Very low	80 Å²	80	145 Å²	145	66%	0.661	77%	0.767	S	S	*	*			trans	76.5	117.3	132.2	0	0	0	0	0	118.8
1149	Q	30.2	Very low	31.6	Very low	158 Å²	158	143.4 Å²	143.4	74%	0.738	77%	0.769	S	S	*	*				81.3	131	84.3	-152.3	161	-5.1	0	0	109
1150	E	30.7	Very low	30.7	Very low	143 Å²	143	147 Å²	147	67%	0.668	78%	0.781	S	S	*	*			cis	-177.1	174.4	26.1	-138.9	162.8	-151.3	0	0	109.8
1151	M	27.4	Very low	30.2	Very low	151 Å²	151	145.5 Å²	145.5	74%	0.744	78%	0.779	S	S	*	*			trans	83.9	107.9	147	-82.3	170.4	56.4	0	0	119.5
1152	S	30.1	Very low	29.9	Very low	91 Å²	91	146.7 Å²	146.7	64%	0.636	78%	0.776	S	S	*	*				85.9	138.6	71.1	76.8	0	0	0	0	111.9
1153	V	29.6	Very low	29.8	Very low	123 Å²	123	143.1 Å²	143.1	75%	0.745	76%	0.763	S	S	*	*			cis	-176.4	168.4	11.7	128.1	0	0	0	0	108.1
1154	R	25.5	Very low	30	Very low	232 Å²	232	141.2 Å²	141.2	88%	0.875	75%	0.752	S	S	*	*			trans	106.2	104.3	160.6	-91.5	168.5	175.9	157.1	-0.6	115
1155	M	26.3	Very low	30.1	Very low	166 Å²	166	145.2 Å²	145.2	82%	0.818	75%	0.751	S	S	*	*			cis	77.8	107.6	44.6	-161.5	127.2	72.2	0	0	114.5
1156	S	28.8	Very low	29.4	Very low	118 Å²	118	146.1 Å²	146.1	83%	0.825	75%	0.75	S	S	*	*				-172	127.9	126.4	49.7	0	0	0	0	111.6
1157	N	27.4	Very low	29.5	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	74%	0.742	S	S	*	*			trans	-64	161.2	175.1	-63.4	-29.7	0	0	0	113.9
1158	L	29	Very low	29.5	Very low	168 Å²	168	147.1 Å²	147.1	88%	0.88	74%	0.744	S	S	*	*				-157.8	132.5	124.8	-109	148.3	0	0	0	111
1159	E	30.4	Very low	29.6	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	75%	0.746	S	S	*	*			trans	-66.8	153.2	-174.1	-66.5	152.1	136.3	0	0	113.7
1160	N	27.8	Very low	29.8	Very low	152 Å²	152	149.2 Å²	149.2	81%	0.813	75%	0.751	S	S	*	*				179.4	144.2	90.1	-148.2	8.7	0	0	0	112.5
1161	D	30.8	Very low	29.6	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	76%	0.755	S	S	*	*			trans	-71.4	157.3	-177	-57.1	-59.2	0	0	0	114.5
1162	R	31.8	Very low	29.7	Very low	212 Å²	212	148 Å²	148	80%	0.8	75%	0.747	S	S	*	*				159	149.4	90.5	-120.8	-173.1	174.5	120.5	0.4	114.9
1163	D	31.3	Very low	29.5	Very low	116 Å²	116	154.3 Å²	154.3	62%	0.62	76%	0.756	S	S	*	*			trans	82.9	103.8	152.8	-58	-21.8	0	0	0	118.9
1164	E	32.4	Very low	29.2	Very low	144 Å²	144	151.8 Å²	151.8	67%	0.673	76%	0.756	S	S	*	*				100.5	137.4	87.1	-86.8	-164.5	158.1	0	0	109.2
1165	R	31.6	Very low	29.4	Very low	188 Å²	188	148.6 Å²	148.6	71%	0.709	75%	0.754	S	S	*	*			cis	-171.3	163.8	-4.4	-136.1	-173.3	-116.7	175.6	1.1	107.4
1166	D	30.2	Very low	29.3	Very low	122 Å²	122	148.5 Å²	148.5	65%	0.652	76%	0.755	S	S	*	*			trans	86.4	98.1	152.9	-55.1	-15.3	0	0	0	120.6
1167	D	31.1	Very low	29.2	Very low	133 Å²	133	147 Å²	147	71%	0.711	75%	0.745	S	S	*	*				54.2	136.1	114.4	-66.1	-3.3	0	0	0	119.3
1168	D	28.5	Very low	29.2	Very low	146 Å²	146	146.8 Å²	146.8	78%	0.781	74%	0.744	S	S	*	*			cis	-165.7	139.9	12.1	-114	-30.4	0	0	0	108
1169	S	30.3	Very low	29	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	74%	0.735	S	S	*	*			trans	-146.5	123.6	167.6	67	0	0	0	0	109.5
1170	H	33.8	Very low	28.7	Very low	181 Å²	181	146.9 Å²	146.9	84%	0.838	74%	0.738	S	S	*	*			trans	-172	140.1	161.1	-93.7	-53.9	0	0	0	104.8
1171	E	28.4	Very low	28.4	Very low	163 Å²	163	149.5 Å²	149.5	76%	0.762	74%	0.743	S	S	*	*			cis	-173.6	132.2	40.6	-118.8	173.6	-172.6	0	0	105.6
1172	D	27.8	Very low	28.1	Very low	106 Å²	106	150.9 Å²	150.9	57%	0.567	75%	0.748	S	S	*	*				97.4	124.6	90.5	-116.2	7.1	0	0	0	115.3
1173	R	27	Very low	27.8	Very low	223 Å²	223	145.2 Å²	145.2	84%	0.842	75%	0.747	S	S	*	*			trans	68.6	118.5	140	-70.3	171.2	175.9	151.5	-6.2	121.3
1174	G	24	Very low	27.4	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	75%	0.751	S	S	*	*				117.4	77.5	101.3	0	0	0	0	0	118.6
1175	I	29.6	Very low	26.9	Very low	164 Å²	164	143.7 Å²	143.7	84%	0.841	76%	0.76	S	S	*	*			trans	19.3	122.3	133.2	-51.4	171.9	0	0	0	118.5
1176	I	24	Very low	26.6	Very low	164 Å²	164	143 Å²	143	84%	0.841	77%	0.767	S	S	*	*			trans	-139.7	134.4	138.5	-62.6	-174.6	0	0	0	110.8
1177	S	25.9	Very low	26.2	Very low	88 Å²	88	144.9 Å²	144.9	62%	0.615	77%	0.772	S	S	*	*			trans	-59.6	171.2	177.9	72.8	0	0	0	0	115.6
1178	N	27.7	Very low	25.8	Very low	137 Å²	137	149 Å²	149	73%	0.733	78%	0.777	S	S	*	*			cis	-178.9	169.8	23.5	-130.7	-16.4	0	0	0	110.7
1179	T	24.5	Very low	25.7	Very low	114 Å²	114	151.2 Å²	151.2	70%	0.699	78%	0.783	S	S	*	*			trans	82	140.7	155.7	69.7	0	0	0	0	119.5
1180	R	24.5	Very low	25.4	Very low	226 Å²	226	153.5 Å²	153.5	85%	0.853	79%	0.792	S	S	*	*			cis	-170.9	149	3.1	-112.5	171.3	-173.4	-177.5	3.1	108.1
1181	F	21.9	Very low	24.9	Very low	208 Å²	208	153.8 Å²	153.8	91%	0.912	79%	0.793	S	S	*	*			trans	-177.5	129.1	133.4	-114.9	-81.3	0	0	0	111.8
1182	I	24.7	Very low	24.7	Very low	162 Å²	162	151.5 Å²	151.5	83%	0.831	80%	0.795	S	S	*	*			trans	-141.9	142.6	173.9	-80	-177.4	0	0	0	110.1
1183	A	24.3	Very low	24.8	Very low	93 Å²	93	152.3 Å²	152.3	77%	0.769	81%	0.807	S	S	*	*			trans	71	142.5	156.9	0	0	0	0	0	118.3
1184	A	23.8	Very low	24.8	Very low	87 Å²	87	147.9 Å²	147.9	72%	0.719	80%	0.796	S	S	*	*			cis	-160.1	172.6	0.7	0	0	0	0	0	106.2
1185	V	22.6	Very low	25	Very low	141 Å²	141	154.5 Å²	154.5	86%	0.855	80%	0.798	S	S	*	*				179.9	150.8	66.4	167.5	0	0	0	0	107.8
1186	M	23.6	Very low	25	Very low	175 Å²	175	157.2 Å²	157.2	86%	0.862	80%	0.798	S	S	*	*			trans	-73.8	148.9	177.9	-61.3	160.2	75.2	0	0	113.5
1187	E	22	Very low	25.1	Very low	161 Å²	161	160.5 Å²	160.5	75%	0.752	80%	0.8	S	S	*	*				-173.7	123.5	126.8	-103.8	-179.5	175.9	0	0	115.1
1188	R	22.9	Very low	25.3	Very low	218 Å²	218	166.9 Å²	166.9	82%	0.823	81%	0.81	S	S	*	*			trans	51.5	129.3	141.9	-64	174.9	-174.3	-171.4	2.2	122.2
1189	H	25.9	Very low	25.1	Very low	194 Å²	194	169 Å²	169	90%	0.898	81%	0.81	S	S	*	*			trans	-128.7	141.3	161.9	-85.4	34.7	0	0	0	110.2
1190	V	24.4	Very low	25.2	Very low	148 Å²	148	176 Å²	176	90%	0.897	82%	0.823	S	S	*	*			trans	-106.1	151.4	179.8	173.8	0	0	0	0	110.1
1191	H	24.7	Very low	25.2	Very low	186 Å²	186	168.8 Å²	168.8	86%	0.861	82%	0.82	S	S	*	*			trans	-71.1	138.8	-170.6	-73.8	-63.9	0	0	0	117.7
1192	S	23.6	Very low	25.4	Very low	115 Å²	115	170.8 Å²	170.8	80%	0.804	82%	0.821	S	S	*	*			trans	-170.5	164.5	131.4	87.7	0	0	0	0	110.3
1193	P	29.1	Very low	25.5	Very low	123 Å²	123	168.7 Å²	168.7	80%	0.799	82%	0.821	S	S	*	*			trans	-97.9	113.9	-142.4	36.2	-32.3	0	0	0	115.4
1194	E	26.8	Very low	25.5	Very low	131 Å²	131	167.9 Å²	167.9	61%	0.612	82%	0.822	S	S	*	*			trans	-140	133.3	162.1	-73.7	-168.9	136.7	0	0	111.7	R309 R1196	R309-E1194 IonicContact CZ-OE1 3.23Å; R309-E1194 IonicContact CZ-OE2 3.01Å; R309-E1194 IonicContact NH1-OE1 3.86Å; R309-E1194 PolarHBondContact NH1-OE1 3.33Å; R309-E1194 IonicContact NH2-OE1 2.78Å; R309-E1194 PolarHBondContact NH2-OE1 3.07Å; R309-E1194 IonicContact NH2-OE2 2.69Å; R309-E1194 PolarHBondContact NH2-OE2 3.43Å; E1194-R1196 PolarHBondContact O-N 3Å
1195	R	29.8	Very low	25.7	Very low	209 Å²	209	169.9 Å²	169.9	79%	0.789	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-48.9	121.8	177.2	-98	174.5	174.9	174.4	-3.6	111.1	R1197	R1195-R1197 PolarHBondContact O-N 2.87Å
1196	R	27.9	Very low	25.9	Very low	222 Å²	222	172.3 Å²	172.3	84%	0.838	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69	123.3	-179.3	-80.7	-178.9	171	172.8	-0.2	112.5	E1194	E1194-R1196 PolarHBondContact O-N 3Å
1197	R	27.4	Very low	26.1	Very low	233 Å²	233	168.8 Å²	168.8	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.2	138	147.4	-72.2	178.6	173.4	-176.5	-2.3	110	R1195	R1195-R1197 PolarHBondContact O-N 2.87Å
1198	R	28.6	Very low	26.3	Very low	221 Å²	221	167.2 Å²	167.2	83%	0.834	82%	0.816	S	S	*	*			trans	-146.5	123.9	146.5	-79.2	-165.5	-173.2	175.6	1.3	110.1
1199	Y	23.6	Very low	26.3	Very low	183 Å²	183	165.7 Å²	165.7	72%	0.718	82%	0.819	S	S	*	*			trans	-102.2	136.2	166	-106.9	-88.7	0	0	0	108.6
1200	W	27.3	Very low	26.5	Very low	259 Å²	259	164 Å²	164	98%	0.981	85%	0.853	S	S	*	*			trans	-167.7	127	137	-112.9	30.3	0	0	0	112.3
1201	G	25.5	Very low	26.6	Very low	76 Å²	76	164.8 Å²	164.8	78%	0.784	85%	0.851	S	S	*	*			trans	66.9	123.6	134.5	0	0	0	0	0	121.3
1202	R	24.8	Very low	26.7	Very low	249 Å²	249	163.7 Å²	163.7	94%	0.94	85%	0.851	S	S	*	*			trans	-74	145	-179.4	-82.1	179.8	170.9	-174.2	-2.2	116.2
1203	S	27.3	Very low	26.9	Very low	119 Å²	119	166.4 Å²	166.4	83%	0.832	85%	0.853	S	S	*	*			trans	56.7	113.9	132.2	-178.1	0	0	0	0	121.9
1204	G	23.6	Very low	26.8	Very low	76 Å²	76	168.9 Å²	168.9	78%	0.784	86%	0.856	S	S	*	*			trans	-160.8	124.8	148.8	0	0	0	0	0	109.5
1205	T	29.2	Very low	26.8	Very low	129 Å²	129	171.3 Å²	171.3	79%	0.791	87%	0.872	S	S	*	*			trans	-65.8	142.9	-175.4	45.9	0	0	0	0	114
1206	E	25.7	Very low	26.6	Very low	191 Å²	191	168.8 Å²	168.8	89%	0.893	88%	0.877	S	S	*	*				179.7	140.8	125.8	-99.6	171.1	-171.2	0	0	110.8
1207	S	28.4	Very low	26.5	Very low	101 Å²	101	165 Å²	165	71%	0.706	88%	0.88	S	S	*	*			trans	-76.6	146.7	176	60.2	0	0	0	0	111.2
1208	D	25.2	Very low	26.4	Very low	128 Å²	128	159.8 Å²	159.8	68%	0.684	88%	0.88	S	S	*	*				174.9	129.5	115.9	-88.1	-1.6	0	0	0	111
1209	H	24.6	Very low	26.2	Very low	187 Å²	187	154.7 Å²	154.7	87%	0.866	88%	0.884	S	S	*	*			trans	57.3	113.4	162.8	-59	-59.2	0	0	0	120.2
1210	G	29.5	Very low	26.5	Very low	158 Å²	158	152.1 Å²	152.1	100%	1.629	90%	0.899	S	S	*	*			trans	166.3	0	162.9	0	0	0	0	0	112.3

Retrieved 1,210 of 1,210 residues in 680 ms (Link to these results)

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