A0A096N6F2_PAPAN Loading...

ATP-dependent DNA/RNA helicase DHX36

AlphaFold DB (G7NZL0), UniProt , Accession A0A096N6F2, Species PAPAN (Papio anubis, Olive baboon), Gene DHX36, Length 1,008 aa.

						>A0A096N6F2_PAPAN|A0A096N6F2|DHX36
MSYDYHQNWGRDGGPRSSGGGYGGGPAGGHGGNRGSGGGGGGGGGGRGGRGRHPGHLKGREIGMWYAKKQGQKNKEAERQERAVVHMDERREEQIVQLLNSVQAKNDKESEAQISWFAPEDHGYGTEVSTKNTPCSEKKLDIQEKKLINQEKKMFRIRNKSYIDRDSEYLLQENEPDGTLDQKLLEDLQKKKNDLRYIEMQHFREKLPSYGMQKELVNLIDKHQVTVISGETGCGKTTQVTQFILDNYIERGKGSACRIVCTQPRRISAISVAERVAAERAESCGNGNSTGYQIRLQSRLPRKQGSILYCTTGIILQWLQSDPCLSSVSHIVLDEIHERNLQSDVLMTVVKDLLNFRSDLKVILMSATLNAEKFSEYFGNCPMIHIPGFTFPVVEYLLEDIIEKIRYVPEQKEHRSQFKRGFMQGHVNRQEKEEKEAIYKERWPDYVRELRRRYSASTVDVIEMMDDDKVDLNLIVALIRYIVLEEEDGAILVFLPGWDNISTLHDLLMSQVMFKSDKFLIIPLHSLMPTVNQTQVFKRTPPGVRKIVIATNIAETSITIDDVVYVIDGGKIKETHFDTQNNISTMSAEWVSKANAKQRKGRAGRVQPGHCYHLYNGLRASLLDDYQLPEILRTPLEELCLQIKILRLGGIAYFLSRLMDPPSNEAVLLSIRHLMELNALDKQEELTPLGVHLARLPVEPHIGKMILFGALFCCLDPVLTIAASLSFKDPFVIPLGKEKIADARRKELAKDTRSDHLTVVNAFEGWEEARRRGFRYEKDYCWEYFLSSNTLQMLHNMKGQFAEHLLGAGFVSSRNPKDPESNINSDNEKIIKAVICAGLYPKVAKIRLNLGKKRKMVKVYTKTDGLVAIHPKSVNVEQTDFHYNWLIYHLKMRTSSIYLYDCTEVSPYCLLFFGGDISIQKDNDQETIAVDEWIVFQSPARIAHLVKELRKELDILLQEKIESPHPVDWNDTKSRDCAVLSAIIDLIKTQEKATPRNFPPRFQDGYYS
					

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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	32.5	Very low	30.2	Very low	234 Å²	234	172.5 Å²	172.5	100%	1.153	81%	0.811	S	S	*	*				0	93.3	0	-64.1	165.6	177.1	0	0	105.9
2	S	25.3	Very low	30.2	Very low	84 Å²	84	172.2 Å²	172.2	59%	0.587	82%	0.819	S	S	*	*				70	131.3	61.5	77.8	0	0	0	0	111.1
3	Y	30.1	Very low	30.1	Very low	208 Å²	208	164.4 Å²	164.4	82%	0.816	81%	0.812	S	S	*	*			cis	-150.7	165.7	7.5	-74	-66.1	0	0	0	107.9
4	D	28.4	Very low	29.8	Very low	126 Å²	126	158.1 Å²	158.1	67%	0.674	81%	0.811	S	S	*	*			cis	-157.1	-173.9	-3.8	-131.6	-41.5	0	0	0	113.1
5	Y	29.5	Very low	30.7	Very low	208 Å²	208	155.8 Å²	155.8	82%	0.816	81%	0.81	S	S	*	*			trans	-131.9	149.6	162.6	-113.5	-97.6	0	0	0	109.7
6	H	32.5	Very low	30.7	Very low	186 Å²	186	160.8 Å²	160.8	86%	0.861	82%	0.815	S	S	*	*			trans	-130.3	139.1	165.6	-106	-71.5	0	0	0	112.7
7	Q	32.3	Very low	30.6	Very low	153 Å²	153	157.4 Å²	157.4	72%	0.715	81%	0.809	S	S	*	*			trans	-117.6	154.9	-173.3	-68.6	-177	-14.4	0	0	113
8	N	31	Very low	30.5	Very low	137 Å²	137	155.1 Å²	155.1	73%	0.733	81%	0.809	S	S	*	*			trans	62.6	163.8	149.6	-66.5	-21.2	0	0	0	116.7
9	W	30.2	Very low	30.5	Very low	252 Å²	252	151.1 Å²	151.1	96%	0.955	81%	0.81	S	S	*	*			cis	-118.5	170.5	21.5	-67	33.4	0	0	0	110.9
10	G	29.8	Very low	30.4	Very low	68 Å²	68	148 Å²	148	70%	0.701	82%	0.815	S	S	*	*			cis	108.7	86	27.7	0	0	0	0	0	109.2
11	R	30.6	Very low	30.3	Very low	241 Å²	241	144.3 Å²	144.3	91%	0.909	81%	0.811	S	S	*	*				88.8	116.6	85.6	-161.8	-165.9	-147.8	-153.6	9.4	113.8
12	D	30.2	Very low	30.2	Very low	169 Å²	169	144.9 Å²	144.9	90%	0.904	80%	0.802	S	S	*	*			trans	172.1	150.6	150.4	-89.2	-19.7	0	0	0	108.2
13	G	29.5	Very low	30.4	Very low	71 Å²	71	144.6 Å²	144.6	73%	0.732	81%	0.812	S	S	*	*			cis	-164.9	159.4	-7.6	0	0	0	0	0	109
14	G	25.7	Very low	30.4	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	81%	0.814	S	S	*	*			trans	-83.2	-158.7	-177.7	0	0	0	0	0	114.7
15	P	42.6	Very low	30.5	Very low	123 Å²	123	136.3 Å²	136.3	80%	0.799	82%	0.819	S	S	*	*			cis	-140.4	-179.1	8.8	42.5	-23.5	0	0	0	117.4
16	R	31.1	Very low	31.7	Very low	236 Å²	236	132.5 Å²	132.5	89%	0.891	82%	0.82	S	S	*	*			trans	-7.6	150.9	149.6	-53.5	170.8	174.6	171.3	-4.5	116.7
17	S	28.9	Very low	31.6	Very low	103 Å²	103	129 Å²	129	72%	0.72	82%	0.823	S	S	*	*				178.9	147.8	54.9	-165.8	0	0	0	0	115.4
18	S	29.2	Very low	31.5	Very low	115 Å²	115	125.4 Å²	125.4	80%	0.804	83%	0.827	S	S	*	*			trans	67.2	144.2	134.1	56.8	0	0	0	0	125.6
19	G	29.5	Very low	31.4	Very low	80 Å²	80	122 Å²	122	83%	0.825	83%	0.825	S	S	*	*			trans	101.5	122.7	170.4	0	0	0	0	0	112.2
20	G	29	Very low	31.5	Very low	88 Å²	88	119.7 Å²	119.7	91%	0.907	82%	0.824	S	S	*	*			cis	93	121.9	25.4	0	0	0	0	0	109.7
21	G	29	Very low	31.5	Very low	71 Å²	71	120.2 Å²	120.2	73%	0.732	83%	0.83	S	S	*	*			cis	-174.4	-179.2	-3.6	0	0	0	0	0	110.8
22	Y	30.1	Very low	31.5	Very low	247 Å²	247	112.6 Å²	112.6	97%	0.969	83%	0.826	S	S	*	*			trans	33.8	122.3	162.6	-67.8	-86.8	0	0	0	122.4
23	G	29.7	Very low	31.5	Very low	78 Å²	78	111.3 Å²	111.3	80%	0.804	82%	0.819	S	S	*	*				112.8	129.5	113.4	0	0	0	0	0	119.7
24	G	30.4	Very low	31.6	Very low	82 Å²	82	119 Å²	119	85%	0.845	83%	0.826	S	S	*	*			trans	99.5	95.9	131.5	0	0	0	0	0	120.1
25	G	29.2	Very low	31.8	Very low	77 Å²	77	119.1 Å²	119.1	79%	0.794	83%	0.827	S	S	*	*				80.3	167.1	129.5	0	0	0	0	0	119.7
26	P	55	Low	31.3	Very low	129 Å²	129	119.6 Å²	119.6	84%	0.838	83%	0.834	S	S	*	*			trans	-129.5	-177.8	-153.5	41.8	-25.5	0	0	0	116.2
27	A	31.1	Very low	31.3	Very low	111 Å²	111	112.2 Å²	112.2	92%	0.917	83%	0.831	S	S	*	*			trans	81.7	148.4	162.2	0	0	0	0	0	118
28	G	30.4	Very low	31.3	Very low	78 Å²	78	111.2 Å²	111.2	80%	0.804	84%	0.837	S	S	*	*			trans	150.7	85.1	177.4	0	0	0	0	0	112.9
29	G	27.9	Very low	31.3	Very low	66 Å²	66	109.9 Å²	109.9	68%	0.68	84%	0.841	S	S	*	*			trans	-75.9	-166.3	-175.8	0	0	0	0	0	117.4
30	H	33.1	Very low	31.3	Very low	204 Å²	204	110.2 Å²	110.2	94%	0.944	85%	0.845	S	S	*	*			trans	70.7	140.7	-178.3	-49.8	-56.3	0	0	0	115.5
31	G	29.4	Very low	31.3	Very low	79 Å²	79	110 Å²	110	81%	0.814	84%	0.843	S	S	*	*			cis	130.2	121.8	2.9	0	0	0	0	0	110.2
32	G	29.9	Very low	31.3	Very low	80 Å²	80	110.8 Å²	110.8	83%	0.825	85%	0.85	S	S	*	*			trans	160.7	50.4	-175.2	0	0	0	0	0	117.7
33	N	30.6	Very low	31.3	Very low	142 Å²	142	102.8 Å²	102.8	76%	0.759	84%	0.844	S	S	*	*			trans	0.6	122.5	143.1	-169	21.6	0	0	0	119.2
34	R	32.1	Very low	31.5	Very low	232 Å²	232	103.5 Å²	103.5	88%	0.875	85%	0.85	S	S	*	*				149.1	143	128.8	-82.9	175.5	179	-175.3	-0.2	113.3
35	G	30.1	Very low	31.4	Very low	80 Å²	80	103 Å²	103	83%	0.825	85%	0.845	S	S	*	*			trans	149.5	95.8	165.1	0	0	0	0	0	114.1
36	S	31.2	Very low	31.6	Very low	134 Å²	134	103.5 Å²	103.5	94%	0.937	85%	0.85	S	S	*	*			trans	-81.1	154	-174.7	-56.5	0	0	0	0	114.9
37	G	30.7	Very low	30.6	Very low	81 Å²	81	109 Å²	109	84%	0.835	86%	0.855	S	S	*	*			trans	136.1	130.9	164.1	0	0	0	0	0	112
38	G	29.7	Very low	30.7	Very low	82 Å²	82	107.2 Å²	107.2	85%	0.845	85%	0.847	S	S	*	*			cis	159.8	123	-5.5	0	0	0	0	0	110.5
39	G	29.4	Very low	30.9	Very low	86 Å²	86	107.4 Å²	107.4	89%	0.887	85%	0.849	S	S	*	*			trans	101.8	120.3	163.6	0	0	0	0	0	118.5
40	G	29	Very low	31.8	Very low	88 Å²	88	115.9 Å²	115.9	91%	0.907	86%	0.86	S	S	*	*			trans	100.5	130.5	137.1	0	0	0	0	0	119.3
41	G	30.5	Very low	32.7	Very low	83 Å²	83	108.2 Å²	108.2	86%	0.856	84%	0.837	S	S	*	*			trans	109.1	88.1	157.1	0	0	0	0	0	116.1
42	G	28.9	Very low	34.3	Very low	87 Å²	87	114.9 Å²	114.9	90%	0.897	84%	0.837	S	S	*	*			trans	-80.3	156.2	171.4	0	0	0	0	0	113.4
43	G	30.1	Very low	36	Very low	80 Å²	80	113.6 Å²	113.6	83%	0.825	81%	0.81	S	S	*	*			trans	177.2	86.9	176.5	0	0	0	0	0	111.3
44	G	32.5	Very low	38.3	Very low	92 Å²	92	109.2 Å²	109.2	95%	0.948	79%	0.789	S	S	*	*			trans	-70.7	130.9	-172.8	0	0	0	0	0	113.8
45	G	29.7	Very low	40.1	Very low	71 Å²	71	102 Å²	102	73%	0.732	79%	0.787	S	S	*	*			trans	-136.9	91.4	171.9	0	0	0	0	0	110.9	R47	G45-R47 PolarHBondContact O-N 2.94Å; G45-R47 VanDerWaalsContact O-N 3.11Å
46	G	31.9	Very low	42.4	Very low	88 Å²	88	105 Å²	105	91%	0.907	78%	0.779	S	S	*	*			trans	-65.1	107.5	-174.7	0	0	0	0	0	113.2
47	R	35.6	Very low	44.7	Very low	245 Å²	245	100.1 Å²	100.1	93%	0.925	74%	0.743	S	S	*	*			trans	-86.1	115	166.2	-77.3	-175.4	170.6	-177	-1.6	109.8	G45 G49	G45-R47 PolarHBondContact O-N 2.94Å; G45-R47 VanDerWaalsContact O-N 3.11Å; R47-G49 PolarHBondContact O-N 3.02Å
48	G	33.1	Very low	46.8	Very low	74 Å²	74	104 Å²	104	76%	0.763	74%	0.737	S	S	*	*			trans	-51.6	134.6	180	0	0	0	0	0	113.4	R50	G48-R50 PolarHBondContact O-N 3.48Å
49	G	34.7	Very low	49.1	Very low	81 Å²	81	103 Å²	103	84%	0.835	73%	0.726	S	S	*	*			trans	-64.7	122.3	-170	0	0	0	0	0	113.9	R47 G51	R47-G49 PolarHBondContact O-N 3.02Å; G49-G51 VanDerWaalsContact C-N 3.34Å; G49-G51 PolarHBondContact O-N 3.05Å
50	R	45.8	Very low	50.9	Low	244 Å²	244	109.4 Å²	109.4	92%	0.921	72%	0.723	S	S	*	*			trans	-70.9	91.8	160.3	-70.5	-176.5	177.8	-174	-0.1	108.5	G48 R52	G48-R50 PolarHBondContact O-N 3.48Å; R50-R52 PolarHBondContact O-N 2.97Å
51	G	52.3	Low	53	Low	44 Å²	44	109.8 Å²	109.8	45%	0.454	70%	0.701	S	S	.	*			trans	-54.8	111.2	179.7	0	0	0	0	0	111.9	G49 K69	G49-G51 VanDerWaalsContact C-N 3.34Å; G49-G51 PolarHBondContact O-N 3.05Å; G51-K69 PolarHBondContact O-NZ 2.96Å
52	R	62	Low	55.1	Low	218 Å²	218	108.1 Å²	108.1	82%	0.823	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-62.3	157.7	176.2	-76.9	-175.5	170.2	-165.5	-2.6	110.8	R50 W65	R50-R52 PolarHBondContact O-N 2.97Å; R52-W65 WeakPolarHBondContact O-CH2 3.45Å
53	H	66.2	Low	57.2	Low	53 Å²	53	106 Å²	106	25%	0.245	65%	0.651	C	S	.	*	P	Polyproline II helix	trans	-63.3	154.8	166.5	56.1	16	0	0	0	112	G55 L57 I62 W65	H53-G55 PolarHBondContact O-N 3.5Å; H53-L57 HydrophobicContact CB-CD1 4.43Å; H53-I62 VanDerWaalsContact CD2-CG2 3.44Å; H53-I62 WeakPolarHBondContact CD2-CG2 3.32Å; H53-W65 VanDerWaalsContact CA-CH2 3.43Å; H53-W65 HydrophobicContact CB-CD2 3.78Å; H53-W65 HydrophobicContact CB-CE3 3.62Å; H53-W65 HydrophobicContact CB-CG 4.36Å; H53-W65 HydrophobicContact CB-CH2 4.05Å; H53-W65 HydrophobicContact CB-CZ2 4.27Å; H53-W65 HydrophobicContact CB-CZ3 3.75Å
54	P	79.8	Confident	59.1	Low	50 Å²	50	108.1 Å²	108.1	33%	0.325	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-53.4	134.7	168.9	-25.5	34.4	0	0	0	112	H56 L57	P54-H56 WeakPolarHBondContact CB-CE1 3.36Å; P54-H56 PolarHBondContact O-N 2.79Å; P54-L57 HydrophobicContact CG-CD1 4.37Å; P54-L57 PolarHBondContact O-N 3.12Å
55	G	68.4	Low	61.1	Low	82 Å²	82	106.7 Å²	106.7	85%	0.845	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-4.6	-172.3	0	0	0	0	0	116.1	H53	H53-G55 PolarHBondContact O-N 3.5Å
56	H	78.9	Confident	63.2	Low	141 Å²	141	108.9 Å²	108.9	65%	0.653	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-19.7	177.2	57.9	-107.7	0	0	0	113.8	P54	P54-H56 WeakPolarHBondContact CB-CE1 3.36Å; P54-H56 PolarHBondContact O-N 2.79Å
57	L	79.1	Confident	64.9	Low	33 Å²	33	107.8 Å²	107.8	17%	0.173	58%	0.576	C	S	.	*			trans	-75.4	138.6	-176.8	-59.4	175.8	0	0	0	111.4	H53 P54 E61 I62 W65	H53-L57 HydrophobicContact CB-CD1 4.43Å; P54-L57 HydrophobicContact CG-CD1 4.37Å; P54-L57 PolarHBondContact O-N 3.12Å; L57-E61 WeakPolarHBondContact CA-OE2 3.47Å; L57-E61 HydrophobicContact CB-CB 4.18Å; L57-E61 HydrophobicContact CD2-CB 4.14Å; L57-I62 HydrophobicContact CB-CG1 4.17Å; L57-W65 HydrophobicContact CD1-CB 3.88Å; L57-W65 HydrophobicContact CD1-CG 3.89Å
58	K	75.2	Confident	66.6	Low	163 Å²	163	103.3 Å²	103.3	71%	0.709	56%	0.563	S	S	*	*			trans	-130.9	147.4	179.9	-66.5	-177.9	-177.5	175.9	0	112.9	R60 E61	K58-R60 PolarHBondContact O-N 3.14Å; K58-E61 PolarHBondContact N-OE2 2.92Å; K58-E61 WeakPolarHBondContact O-CB 3.34Å; K58-E61 WeakPolarHBondContact O-CG 3.35Å; K58-E61 PolarHBondContact O-N 3.25Å
59	G	77.6	Confident	68.4	Low	60 Å²	60	103 Å²	103	62%	0.619	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-118	171.4	0	0	0	0	0	114.5	E61 I62	G59-E61 PolarHBondContact O-N 2.99Å; G59-I62 WeakPolarHBondContact O-CB 3.38Å; G59-I62 PolarHBondContact O-N 2.87Å; G59-I62 VanDerWaalsContact O-N 3.16Å
60	R	67.1	Low	69.7	Low	220 Å²	220	104 Å²	104	83%	0.83	52%	0.524	S	S	*	.	H	α-helix	trans	-59.6	-29.9	-176.6	-169.1	176	-178.6	-179.6	0.3	113.2	K58 I62 G63 M64	K58-R60 PolarHBondContact O-N 3.14Å; R60-I62 VanDerWaalsContact C-N 3.33Å; R60-I62 PolarHBondContact O-N 3.42Å; R60-G63 PolarHBondContact O-N 3.14Å; R60-M64 PolarHBondContact O-N 2.7Å
61	E	72.8	Confident	70.4	Confident	96 Å²	96	93.9 Å²	93.9	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-35.5	179.2	-55.2	175	146	0	0	112.1	L57 K58 G59 G63 M64 W65	L57-E61 WeakPolarHBondContact CA-OE2 3.47Å; L57-E61 HydrophobicContact CB-CB 4.18Å; L57-E61 HydrophobicContact CD2-CB 4.14Å; K58-E61 PolarHBondContact N-OE2 2.92Å; K58-E61 WeakPolarHBondContact O-CB 3.34Å; K58-E61 WeakPolarHBondContact O-CG 3.35Å; K58-E61 PolarHBondContact O-N 3.25Å; G59-E61 PolarHBondContact O-N 2.99Å; E61-G63 VanDerWaalsContact C-N 3.34Å; E61-M64 PolarHBondContact O-N 3.26Å; E61-W65 WeakPolarHBondContact O-CB 3.18Å; E61-W65 PolarHBondContact O-N 3.22Å
62	I	75.4	Confident	71	Confident	49 Å²	49	97.4 Å²	97.4	25%	0.251	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-46.3	173.8	-63.4	172.8	0	0	0	109.5	H53 L57 G59 R60 W65 Y66	H53-I62 VanDerWaalsContact CD2-CG2 3.44Å; H53-I62 WeakPolarHBondContact CD2-CG2 3.32Å; L57-I62 HydrophobicContact CB-CG1 4.17Å; G59-I62 WeakPolarHBondContact O-CB 3.38Å; G59-I62 PolarHBondContact O-N 2.87Å; G59-I62 VanDerWaalsContact O-N 3.16Å; R60-I62 VanDerWaalsContact C-N 3.33Å; R60-I62 PolarHBondContact O-N 3.42Å; I62-W65 PolarHBondContact O-N 3.47Å; I62-Y66 HydrophobicContact CG2-CD2 3.78Å; I62-Y66 HydrophobicContact CG2-CE2 3.74Å; I62-Y66 VanDerWaalsContact O-CD2 3.27Å; I62-Y66 WeakPolarHBondContact O-CD2 3.38Å; I62-Y66 PolarHBondContact O-N 3.43Å
63	G	72.1	Confident	71.1	Confident	42 Å²	42	92.9 Å²	92.9	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-59.3	-47.2	175.2	0	0	0	0	0	112.2	R60 E61 W65 Y66 A67	R60-G63 PolarHBondContact O-N 3.14Å; E61-G63 VanDerWaalsContact C-N 3.34Å; G63-W65 VanDerWaalsContact C-N 3.34Å; G63-W65 PolarHBondContact O-N 3.36Å; G63-Y66 PolarHBondContact O-N 2.88Å; G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 3.21Å
64	M	70.4	Confident	70.8	Confident	125 Å²	125	94.7 Å²	94.7	62%	0.616	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-34.8	176.1	-67.2	-147.5	-61.3	0	0	113	R60 E61 A67 K68	R60-M64 PolarHBondContact O-N 2.7Å; E61-M64 PolarHBondContact O-N 3.26Å; M64-A67 PolarHBondContact O-N 2.94Å; M64-K68 WeakPolarHBondContact O-CB 3.44Å; M64-K68 PolarHBondContact O-N 3.46Å
65	W	76.1	Confident	69.9	Low	62 Å²	62	99 Å²	99	24%	0.235	51%	0.511	C	S	.	.	H	α-helix	trans	-66.5	-44.3	175.4	-173.5	92.4	0	0	0	111.9	R52 H53 L57 E61 I62 G63 K68 K69	R52-W65 WeakPolarHBondContact O-CH2 3.45Å; H53-W65 VanDerWaalsContact CA-CH2 3.43Å; H53-W65 HydrophobicContact CB-CD2 3.78Å; H53-W65 HydrophobicContact CB-CE3 3.62Å; H53-W65 HydrophobicContact CB-CG 4.36Å; H53-W65 HydrophobicContact CB-CH2 4.05Å; H53-W65 HydrophobicContact CB-CZ2 4.27Å; H53-W65 HydrophobicContact CB-CZ3 3.75Å; L57-W65 HydrophobicContact CD1-CB 3.88Å; L57-W65 HydrophobicContact CD1-CG 3.89Å; E61-W65 WeakPolarHBondContact O-CB 3.18Å; E61-W65 PolarHBondContact O-N 3.22Å; I62-W65 PolarHBondContact O-N 3.47Å; G63-W65 VanDerWaalsContact C-N 3.34Å; G63-W65 PolarHBondContact O-N 3.36Å; W65-K68 PolarHBondContact O-N 3.06Å; W65-K69 HydrophobicContact CE3-CD 4.13Å; W65-K69 HydrophobicContact CH2-CD 3.41Å; W65-K69 VanDerWaalsContact CH2-CD 3.41Å; W65-K69 HydrophobicContact CZ2-CD 3.87Å; W65-K69 HydrophobicContact CZ3-CD 3.53Å; W65-K69 WeakPolarHBondContact O-CB 3.4Å; W65-K69 PolarHBondContact O-N 3.29Å
66	Y	73.9	Confident	69.4	Low	117 Å²	117	100.4 Å²	100.4	46%	0.459	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-38.5	174.2	-79.4	-68.7	0	0	0	112.2	I62 G63 K69 Q70	I62-Y66 HydrophobicContact CG2-CD2 3.78Å; I62-Y66 HydrophobicContact CG2-CE2 3.74Å; I62-Y66 VanDerWaalsContact O-CD2 3.27Å; I62-Y66 WeakPolarHBondContact O-CD2 3.38Å; I62-Y66 PolarHBondContact O-N 3.43Å; G63-Y66 PolarHBondContact O-N 2.88Å; Y66-K69 PolarHBondContact O-N 3.45Å; Y66-Q70 VanDerWaalsContact O-CB 3.25Å; Y66-Q70 WeakPolarHBondContact O-CB 3.4Å; Y66-Q70 PolarHBondContact O-N 2.98Å
67	A	66.7	Low	68.6	Low	64 Å²	64	95.8 Å²	95.8	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-44.7	173.8	0	0	0	0	0	112	G63 M64 Q70 G71	G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 3.21Å; M64-A67 PolarHBondContact O-N 2.94Å; A67-Q70 PolarHBondContact O-N 2.96Å; A67-G71 PolarHBondContact O-N 3.07Å
68	K	70.9	Confident	67.8	Low	151 Å²	151	99 Å²	99	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-65.7	-40.2	176.6	-169.3	173.1	-175.1	176.2	0	111.7	M64 W65 G71 Q72	M64-K68 WeakPolarHBondContact O-CB 3.44Å; M64-K68 PolarHBondContact O-N 3.46Å; W65-K68 PolarHBondContact O-N 3.06Å; K68-G71 PolarHBondContact O-N 3.41Å; K68-Q72 WeakPolarHBondContact O-CB 3.35Å; K68-Q72 WeakPolarHBondContact O-CG 3.4Å; K68-Q72 PolarHBondContact O-N 3.3Å
69	K	72.1	Confident	67.2	Low	67 Å²	67	95 Å²	95	29%	0.291	48%	0.476	S	S	.	.	H	α-helix	trans	-69.6	-35.5	175.9	-173	168.5	-174.7	167.9	0	112.6	G51 W65 Y66 K73	G51-K69 PolarHBondContact O-NZ 2.96Å; W65-K69 HydrophobicContact CE3-CD 4.13Å; W65-K69 HydrophobicContact CH2-CD 3.41Å; W65-K69 VanDerWaalsContact CH2-CD 3.41Å; W65-K69 HydrophobicContact CZ2-CD 3.87Å; W65-K69 HydrophobicContact CZ3-CD 3.53Å; W65-K69 WeakPolarHBondContact O-CB 3.4Å; W65-K69 PolarHBondContact O-N 3.29Å; Y66-K69 PolarHBondContact O-N 3.45Å; K69-K73 WeakPolarHBondContact O-CB 3.43Å; K69-K73 PolarHBondContact O-N 3.15Å
70	Q	61.8	Low	66.3	Low	104 Å²	104	99.8 Å²	99.8	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-71	-39	172.2	-170.9	61	44.6	0	0	111.1	Y66 A67 K73 N74	Y66-Q70 VanDerWaalsContact O-CB 3.25Å; Y66-Q70 WeakPolarHBondContact O-CB 3.4Å; Y66-Q70 PolarHBondContact O-N 2.98Å; A67-Q70 PolarHBondContact O-N 2.96Å; Q70-K73 PolarHBondContact O-N 3.29Å; Q70-N74 PolarHBondContact NE2-OD1 2.85Å; Q70-N74 WeakPolarHBondContact O-CB 3.16Å; Q70-N74 PolarHBondContact O-N 3.46Å; Q70-N74 PolarHBondContact O-OD1 3.07Å
71	G	58.7	Low	66.1	Low	31 Å²	31	93.3 Å²	93.3	32%	0.32	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-42	171.6	0	0	0	0	0	112.5	A67 K68 N74 K75	A67-G71 PolarHBondContact O-N 3.07Å; K68-G71 PolarHBondContact O-N 3.41Å; G71-N74 PolarHBondContact O-N 2.99Å; G71-K75 WeakPolarHBondContact O-CB 3.39Å; G71-K75 WeakPolarHBondContact O-CG 3.38Å; G71-K75 PolarHBondContact O-N 2.85Å
72	Q	65.9	Low	65.9	Low	118 Å²	118	90.7 Å²	90.7	55%	0.551	45%	0.448	S	S	*	.	H	α-helix	trans	-61.6	-48.3	171.8	-78.6	175.8	-41.4	0	0	111.4	K68 N74 K75 E76	K68-Q72 WeakPolarHBondContact O-CB 3.35Å; K68-Q72 WeakPolarHBondContact O-CG 3.4Å; K68-Q72 PolarHBondContact O-N 3.3Å; Q72-N74 VanDerWaalsContact C-N 3.32Å; Q72-N74 PolarHBondContact O-N 3.23Å; Q72-K75 PolarHBondContact O-N 2.88Å; Q72-E76 VanDerWaalsContact O-CB 3.24Å; Q72-E76 WeakPolarHBondContact O-CB 3.35Å; Q72-E76 PolarHBondContact O-N 3.15Å
73	K	63.6	Low	65.4	Low	122 Å²	122	88.7 Å²	88.7	53%	0.53	44%	0.438	S	S	.	.	H	α-helix	trans	-59.4	-39.3	174.6	-85.2	-167.5	164.7	-159.3	0	113.6	K69 Q70 E76 A77	K69-K73 WeakPolarHBondContact O-CB 3.43Å; K69-K73 PolarHBondContact O-N 3.15Å; Q70-K73 PolarHBondContact O-N 3.29Å; K73-E76 PolarHBondContact O-N 3.33Å; K73-A77 WeakPolarHBondContact O-CB 3.13Å; K73-A77 PolarHBondContact O-N 3.21Å
74	N	59.4	Low	65.1	Low	91 Å²	91	88.3 Å²	88.3	49%	0.487	43%	0.428	S	S	.	.	H	α-helix	trans	-67.4	-44.1	177.3	-72.1	8	0	0	0	110.5	Q70 G71 Q72 E76 A77 E78	Q70-N74 PolarHBondContact NE2-OD1 2.85Å; Q70-N74 WeakPolarHBondContact O-CB 3.16Å; Q70-N74 PolarHBondContact O-N 3.46Å; Q70-N74 PolarHBondContact O-OD1 3.07Å; G71-N74 PolarHBondContact O-N 2.99Å; Q72-N74 VanDerWaalsContact C-N 3.32Å; Q72-N74 PolarHBondContact O-N 3.23Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.32Å; N74-A77 PolarHBondContact O-N 3.35Å; N74-E78 VanDerWaalsContact O-CB 3.24Å; N74-E78 WeakPolarHBondContact O-CB 3.45Å; N74-E78 PolarHBondContact O-N 3.42Å
75	K	61.6	Low	64.8	Low	142 Å²	142	82.4 Å²	82.4	62%	0.617	40%	0.399	S	S	*	.	H	α-helix	trans	-63.3	-36.5	173.7	-74.5	-174.1	174.6	-162	0	112.7	G71 Q72 R79	G71-K75 WeakPolarHBondContact O-CB 3.39Å; G71-K75 WeakPolarHBondContact O-CG 3.38Å; G71-K75 PolarHBondContact O-N 2.85Å; Q72-K75 PolarHBondContact O-N 2.88Å; K75-R79 WeakPolarHBondContact O-CB 3.42Å; K75-R79 VanDerWaalsContact O-CG 3.24Å; K75-R79 WeakPolarHBondContact O-CG 3.4Å; K75-R79 PolarHBondContact O-N 3.39Å
76	E	58.4	Low	64.3	Low	111 Å²	111	83.5 Å²	83.5	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-70.7	-40.9	178.2	-170.3	170.8	-144.3	0	0	111.6	Q72 K73 N74 R79 Q80	Q72-E76 VanDerWaalsContact O-CB 3.24Å; Q72-E76 WeakPolarHBondContact O-CB 3.35Å; Q72-E76 PolarHBondContact O-N 3.15Å; K73-E76 PolarHBondContact O-N 3.33Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.32Å; E76-R79 PolarHBondContact O-N 3Å; E76-Q80 WeakPolarHBondContact O-CG 3.41Å; E76-Q80 PolarHBondContact O-N 3.11Å
77	A	61.3	Low	64.1	Low	43 Å²	43	78.4 Å²	78.4	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-43.4	170.3	0	0	0	0	0	112	K73 N74 R79 Q80 E81	K73-A77 WeakPolarHBondContact O-CB 3.13Å; K73-A77 PolarHBondContact O-N 3.21Å; N74-A77 PolarHBondContact O-N 3.35Å; A77-R79 VanDerWaalsContact C-N 3.33Å; A77-R79 PolarHBondContact O-N 2.81Å; A77-Q80 CarbonylContact O-C 3.55Å; A77-Q80 WeakPolarHBondContact O-CB 3.37Å; A77-Q80 PolarHBondContact O-N 2.88Å; A77-Q80 VanDerWaalsContact O-N 3.1Å; A77-E81 WeakPolarHBondContact O-CG 3.37Å; A77-E81 PolarHBondContact O-N 2.85Å
78	E	62.5	Low	64.4	Low	101 Å²	101	79.2 Å²	79.2	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-38.4	176.6	-179	175.2	-157.8	0	0	112.2	N74 E81 R82	N74-E78 VanDerWaalsContact O-CB 3.24Å; N74-E78 WeakPolarHBondContact O-CB 3.45Å; N74-E78 PolarHBondContact O-N 3.42Å; E78-E81 CarbonylContact O-C 3.6Å; E78-E81 PolarHBondContact O-N 2.72Å; E78-R82 PolarHBondContact O-N 2.93Å
79	R	63.1	Low	64.5	Low	79 Å²	79	78.1 Å²	78.1	30%	0.298	38%	0.38	S	S	.	.	H	α-helix	trans	-61.7	-42.6	170.4	-78.9	170.9	175.2	-178.2	-0.9	111.8	K75 E76 A77 E81 R82 D922 N923	K75-R79 WeakPolarHBondContact O-CB 3.42Å; K75-R79 VanDerWaalsContact O-CG 3.24Å; K75-R79 WeakPolarHBondContact O-CG 3.4Å; K75-R79 PolarHBondContact O-N 3.39Å; E76-R79 PolarHBondContact O-N 3Å; A77-R79 VanDerWaalsContact C-N 3.33Å; A77-R79 PolarHBondContact O-N 2.81Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 PolarHBondContact O-N 3.01Å; R79-R82 PolarHBondContact O-N 3.21Å; R79-D922 IonicContact CZ-OD1 3.16Å; R79-D922 VanDerWaalsContact CZ-OD1 3.31Å; R79-D922 IonicContact CZ-OD2 2.72Å; R79-D922 IonicContact NE-OD1 2.69Å; R79-D922 PolarHBondContact NE-OD1 3.28Å; R79-D922 IonicContact NE-OD2 3.65Å; R79-D922 PolarHBondContact NE-OD2 3.25Å; R79-D922 IonicContact NH2-OD1 2.61Å; R79-D922 PolarHBondContact NH2-OD1 3.17Å; R79-D922 IonicContact NH2-OD2 3.4Å; R79-N923 PolarHBondContact NH1-ND2 3.13Å; R79-N923 VanDerWaalsContact NH1-ND2 3.15Å; R79-N923 PolarHBondContact NH2-OD1 3.35Å; R79-N923 VanDerWaalsContact NH2-OD1 3.13Å
80	Q	58.8	Low	64.6	Low	161 Å²	161	84.3 Å²	84.3	75%	0.752	40%	0.401	S	S	*	.	H	α-helix	trans	-68.4	-22.7	175.8	-71.5	173.9	4.1	0	0	113.3	E76 A77	E76-Q80 WeakPolarHBondContact O-CG 3.41Å; E76-Q80 PolarHBondContact O-N 3.11Å; A77-Q80 CarbonylContact O-C 3.55Å; A77-Q80 WeakPolarHBondContact O-CB 3.37Å; A77-Q80 PolarHBondContact O-N 2.88Å; A77-Q80 VanDerWaalsContact O-N 3.1Å
81	E	63	Low	65.3	Low	83 Å²	83	83.7 Å²	83.7	39%	0.388	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.4	174.6	-71.2	-177.8	-178.6	0	0	113.8	A77 E78 R79	A77-E81 WeakPolarHBondContact O-CG 3.37Å; A77-E81 PolarHBondContact O-N 2.85Å; E78-E81 CarbonylContact O-C 3.6Å; E78-E81 PolarHBondContact O-N 2.72Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 PolarHBondContact O-N 3.01Å
82	R	69.3	Low	66.1	Low	41 Å²	41	83.4 Å²	83.4	16%	0.155	38%	0.384	C	S	.	.	S	Bend	trans	-71.9	132.5	174	-73	180	-178	156.3	2.8	110.2	E78 R79 V84 D922 Q937	E78-R82 PolarHBondContact O-N 2.93Å; R79-R82 PolarHBondContact O-N 3.21Å; R82-V84 PolarHBondContact O-N 3.03Å; R82-D922 IonicContact CZ-OD2 3.22Å; R82-D922 IonicContact NH1-OD2 3.62Å; R82-D922 PolarHBondContact NH1-OD2 3.34Å; R82-D922 IonicContact NH2-OD2 2.83Å; R82-D922 PolarHBondContact NH2-OD2 2.83Å; R82-Q937 HydrophobicContact CB-CG 4.08Å
83	A	64.1	Low	66.7	Low	7 Å²	7	83.3 Å²	83.3	6%	0.058	38%	0.384	C	S	.	.			trans	-60.5	135.8	168.9	0	0	0	0	0	110.1	V85 F936 Q937	A83-V85 HydrophobicContact CB-CG2 4.08Å; A83-F936 HydrophobicContact CB-CB 4.31Å; A83-Q937 PolarHBondContact O-N 3.38Å
84	V	65.6	Low	67.5	Low	35 Å²	35	81.4 Å²	81.4	21%	0.212	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-104.2	112.6	175.4	-172.6	0	0	0	0	107.9	R82 H86 Q937 T994	R82-V84 PolarHBondContact O-N 3.03Å; V84-H86 WeakPolarHBondContact CG1-NE2 3.33Å; V84-Q937 HydrophobicContact CG1-CB 4.43Å; V84-Q937 HydrophobicContact CG2-CG 4.3Å; V84-T994 HydrophobicContact CB-CG2 4.16Å; V84-T994 HydrophobicContact CG2-CG2 4.05Å
85	V	64.9	Low	68.4	Low	0 Å²	0	77.1 Å²	77.1	0%	0	35%	0.354	C	S	.	.			trans	-122	113.5	-166.5	-152.1	0	0	0	0	108.7	A83 P907 Y908 F936 Q937 S938 E991	A83-V85 HydrophobicContact CB-CG2 4.08Å; V85-P907 HydrophobicContact CG2-CB 4.3Å; V85-P907 HydrophobicContact CG2-CG 4.05Å; V85-Y908 HydrophobicContact CB-CE2 4.39Å; V85-Y908 HydrophobicContact CG1-CD2 3.83Å; V85-Y908 HydrophobicContact CG1-CE1 4.24Å; V85-Y908 HydrophobicContact CG1-CE2 3.1Å; V85-Y908 WeakPolarHBondContact CG1-OH 3.46Å; V85-F936 HydrophobicContact CB-CD2 4.18Å; V85-F936 HydrophobicContact CG2-CB 3.97Å; V85-F936 HydrophobicContact CG2-CD2 3.63Å; V85-F936 HydrophobicContact CG2-CG 4.12Å; V85-Q937 WeakPolarHBondContact CA-O 3.29Å; V85-Q937 WeakPolarHBondContact CB-O 3.25Å; V85-Q937 PolarHBondContact N-O 3.21Å; V85-S938 WeakPolarHBondContact O-CA 3.43Å; V85-E991 HydrophobicContact CB-CG 4.44Å; V85-E991 HydrophobicContact CG1-CG 3.89Å; V85-E991 HydrophobicContact CG2-CG 4.12Å
86	H	64.5	Low	69.4	Low	86 Å²	86	73 Å²	73	40%	0.398	34%	0.34	S	S	.	.			trans	-124.7	125.9	-178.3	-70.6	-67.4	0	0	0	110.4	V84	V84-H86 WeakPolarHBondContact CG1-NE2 3.33Å
87	M	70.5	Confident	70.4	Confident	10 Å²	10	73.7 Å²	73.7	5%	0.049	34%	0.344	C	S	.	.			trans	-74.7	149.4	167.1	-165.7	145.4	79.1	0	0	109.7	R91 E92 I95 Y908 I942 L945 L986 T989	M87-R91 HydrophobicContact CG-CB 4.37Å; M87-E92 HydrophobicContact CE-CB 3.65Å; M87-E92 HydrophobicContact CE-CG 3.7Å; M87-I95 HydrophobicContact CE-CD1 3.96Å; M87-I95 HydrophobicContact SD-CD1 3.91Å; M87-Y908 PolarHBondContact N-OH 2.85Å; M87-I942 HydrophobicContact CB-CD1 4Å; M87-I942 HydrophobicContact CE-CD1 3.44Å; M87-I942 VanDerWaalsContact CE-CD1 3.44Å; M87-I942 HydrophobicContact SD-CD1 4.42Å; M87-L945 HydrophobicContact CE-CD2 3.8Å; M87-L986 HydrophobicContact SD-CD1 4.09Å; M87-T989 HydrophobicContact CG-CG2 3.77Å; M87-T989 HydrophobicContact SD-CG2 3.78Å
88	D	72.7	Confident	71.1	Confident	81 Å²	81	73.7 Å²	73.7	43%	0.433	34%	0.338	S	S	.	.			trans	-74.5	132.9	171.3	-178.1	38.6	0	0	0	109.7	R90 R91 E92	D88-R90 PolarHBondContact O-N 3.5Å; D88-R91 HydrophobicContact CB-CG 4.31Å; D88-R91 WeakPolarHBondContact O-CB 3.45Å; D88-R91 PolarHBondContact O-N 3.49Å; D88-E92 PolarHBondContact O-N 3.1Å
89	E	72.4	Confident	71.8	Confident	128 Å²	128	69.2 Å²	69.2	60%	0.598	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-34.7	-171.4	-65.5	-179.4	152.6	0	0	111.6	R91 E92 E93	E89-R91 PolarHBondContact O-N 3Å; E89-E92 WeakPolarHBondContact O-CB 3.31Å; E89-E92 PolarHBondContact O-N 3.09Å; E89-E93 WeakPolarHBondContact O-CG 3.33Å; E89-E93 PolarHBondContact O-N 3.1Å
90	R	75.2	Confident	72.5	Confident	197 Å²	197	69.6 Å²	69.6	74%	0.743	33%	0.325	S	S	*	.	H	α-helix	trans	-63.9	-36.9	174.4	-65.5	177.8	174.9	179.8	1.7	113.3	D88 Q94	D88-R90 PolarHBondContact O-N 3.5Å; R90-Q94 WeakPolarHBondContact O-CB 3.42Å; R90-Q94 PolarHBondContact O-N 3.22Å
91	R	74.9	Confident	73.3	Confident	91 Å²	91	64.6 Å²	64.6	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-72.6	-35.2	175.2	-68.4	-170.4	-175.7	-171.4	2.2	111.1	M87 D88 E89 Q94 I95	M87-R91 HydrophobicContact CG-CB 4.37Å; D88-R91 HydrophobicContact CB-CG 4.31Å; D88-R91 WeakPolarHBondContact O-CB 3.45Å; D88-R91 PolarHBondContact O-N 3.49Å; E89-R91 PolarHBondContact O-N 3Å; R91-Q94 PolarHBondContact O-N 2.87Å; R91-I95 WeakPolarHBondContact O-CD1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.39Å; R91-I95 PolarHBondContact O-N 3.24Å
92	E	75.5	Confident	73.7	Confident	24 Å²	24	60.8 Å²	60.8	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-48.2	174.4	-169.5	173.9	174.5	0	0	111.5	M87 D88 E89 Q94 I95 V96 R941 I942	M87-E92 HydrophobicContact CE-CB 3.65Å; M87-E92 HydrophobicContact CE-CG 3.7Å; D88-E92 PolarHBondContact O-N 3.1Å; E89-E92 WeakPolarHBondContact O-CB 3.31Å; E89-E92 PolarHBondContact O-N 3.09Å; E92-Q94 VanDerWaalsContact C-N 3.32Å; E92-Q94 PolarHBondContact O-N 2.84Å; E92-I95 PolarHBondContact O-N 2.65Å; E92-V96 WeakPolarHBondContact O-CB 3.16Å; E92-V96 WeakPolarHBondContact O-CG2 3.24Å; E92-V96 PolarHBondContact O-N 2.96Å; E92-R941 WeakPolarHBondContact OE1-CD 3.14Å; E92-R941 WeakPolarHBondContact OE1-CG 3.47Å; E92-R941 IonicContact OE1-CZ 3.31Å; E92-R941 IonicContact OE1-NE 3.27Å; E92-R941 PolarHBondContact OE1-NE 3.41Å; E92-R941 IonicContact OE1-NH2 3.58Å; E92-R941 IonicContact OE2-CZ 2.91Å; E92-R941 VanDerWaalsContact OE2-CZ 3.24Å; E92-R941 IonicContact OE2-NE 2.68Å; E92-R941 PolarHBondContact OE2-NE 3.33Å; E92-R941 IonicContact OE2-NH2 2.73Å; E92-R941 PolarHBondContact OE2-NH2 3.46Å; E92-I942 HydrophobicContact CG-CD1 4.42Å
93	E	78.9	Confident	73.7	Confident	117 Å²	117	62 Å²	62	55%	0.547	30%	0.298	S	S	.	.	H	α-helix	trans	-56.4	-43.7	171.9	-72.3	173.3	175.3	0	0	112.1	E89 V96 Q97	E89-E93 WeakPolarHBondContact O-CG 3.33Å; E89-E93 PolarHBondContact O-N 3.1Å; E93-V96 PolarHBondContact O-N 2.88Å; E93-Q97 WeakPolarHBondContact O-CB 3.02Å; E93-Q97 WeakPolarHBondContact O-CG 3.44Å; E93-Q97 PolarHBondContact O-N 3.34Å
94	Q	80	Confident	73.5	Confident	82 Å²	82	64.1 Å²	64.1	38%	0.383	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-45.1	177.8	-171.9	-167	-30.1	0	0	112.5	R90 R91 E92 Q97 L98 D985	R90-Q94 WeakPolarHBondContact O-CB 3.42Å; R90-Q94 PolarHBondContact O-N 3.22Å; R91-Q94 PolarHBondContact O-N 2.87Å; E92-Q94 VanDerWaalsContact C-N 3.32Å; E92-Q94 PolarHBondContact O-N 2.84Å; Q94-Q97 PolarHBondContact O-N 3.47Å; Q94-L98 WeakPolarHBondContact O-CG 3.47Å; Q94-L98 PolarHBondContact O-N 3.31Å; Q94-D985 PolarHBondContact NE2-OD2 3.25Å
95	I	79.5	Confident	73.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-42.1	178.5	-66.2	164.4	0	0	0	110.3	M87 R91 E92 L98 L99 L945 L949 A982 D985 L986	M87-I95 HydrophobicContact CE-CD1 3.96Å; M87-I95 HydrophobicContact SD-CD1 3.91Å; R91-I95 WeakPolarHBondContact O-CD1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.39Å; R91-I95 PolarHBondContact O-N 3.24Å; E92-I95 PolarHBondContact O-N 2.65Å; I95-L98 PolarHBondContact O-N 2.83Å; I95-L99 PolarHBondContact O-N 3.17Å; I95-L945 HydrophobicContact CB-CD2 4.37Å; I95-L945 HydrophobicContact CG2-CD1 3.99Å; I95-L945 HydrophobicContact CG2-CD2 3.83Å; I95-L945 HydrophobicContact CG2-CG 4.12Å; I95-L949 HydrophobicContact CG2-CD1 3.99Å; I95-A982 HydrophobicContact CG2-CB 4.09Å; I95-D985 HydrophobicContact CD1-CB 4.34Å; I95-D985 HydrophobicContact CG1-CB 4.29Å; I95-L986 HydrophobicContact CD1-CB 4.2Å
96	V	81.2	Confident	72.8	Confident	55 Å²	55	69 Å²	69	33%	0.333	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-40	176	171.2	0	0	0	0	111.6	E92 E93 L99 N100 L945	E92-V96 WeakPolarHBondContact O-CB 3.16Å; E92-V96 WeakPolarHBondContact O-CG2 3.24Å; E92-V96 PolarHBondContact O-N 2.96Å; E93-V96 PolarHBondContact O-N 2.88Å; V96-L99 PolarHBondContact O-N 3.11Å; V96-N100 WeakPolarHBondContact O-CB 3.41Å; V96-N100 PolarHBondContact O-N 3.31Å; V96-N100 PolarHBondContact O-ND2 2.91Å; V96-L945 HydrophobicContact CG2-CD1 3.95Å
97	Q	80	Confident	72.1	Confident	126 Å²	126	69.9 Å²	69.9	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-62.6	-42.9	174.8	-76.5	169.4	19.9	0	0	112	E93 Q94 S101	E93-Q97 WeakPolarHBondContact O-CB 3.02Å; E93-Q97 WeakPolarHBondContact O-CG 3.44Å; E93-Q97 PolarHBondContact O-N 3.34Å; Q94-Q97 PolarHBondContact O-N 3.47Å; Q97-S101 WeakPolarHBondContact O-CB 3.24Å; Q97-S101 PolarHBondContact O-N 3.03Å
98	L	76.9	Confident	71	Confident	44 Å²	44	76.4 Å²	76.4	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-60.9	-48.5	174.3	-73	169.9	0	0	0	111.2	Q94 I95 N100 S101 V102 A978 A982	Q94-L98 WeakPolarHBondContact O-CG 3.47Å; Q94-L98 PolarHBondContact O-N 3.31Å; I95-L98 PolarHBondContact O-N 2.83Å; L98-N100 PolarHBondContact O-N 3.11Å; L98-S101 PolarHBondContact O-N 3.15Å; L98-S101 PolarHBondContact O-OG 3.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.44Å; L98-V102 PolarHBondContact O-N 2.81Å; L98-V102 VanDerWaalsContact O-N 3.15Å; L98-A978 HydrophobicContact CD2-CB 4.42Å; L98-A982 HydrophobicContact CB-CB 4.25Å; L98-A982 HydrophobicContact CD1-CB 4.15Å
99	L	76.2	Confident	69.9	Low	6 Å²	6	78.5 Å²	78.5	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-58.8	-47.9	177.9	-163.9	93.8	0	0	0	112	I95 V96 S101 V102 Q103 E948 L949 E952	I95-L99 PolarHBondContact O-N 3.17Å; V96-L99 PolarHBondContact O-N 3.11Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 2.94Å; L99-V102 WeakPolarHBondContact O-CB 3.27Å; L99-V102 PolarHBondContact O-N 3.07Å; L99-V102 VanDerWaalsContact O-N 3.1Å; L99-Q103 PolarHBondContact O-N 3.08Å; L99-E948 HydrophobicContact CD1-CB 4.49Å; L99-E948 HydrophobicContact CD2-CB 4.08Å; L99-E948 WeakPolarHBondContact CD2-OE2 3.46Å; L99-L949 HydrophobicContact CD1-CD2 3.66Å; L99-L949 HydrophobicContact CD1-CG 4.2Å; L99-E952 HydrophobicContact CD1-CG 4.01Å
100	N	79.2	Confident	68.4	Low	87 Å²	87	75.2 Å²	75.2	47%	0.465	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-36.1	177.7	-70.6	-16.4	0	0	0	112	V96 L98 V102 Q103 A104	V96-N100 WeakPolarHBondContact O-CB 3.41Å; V96-N100 PolarHBondContact O-N 3.31Å; V96-N100 PolarHBondContact O-ND2 2.91Å; L98-N100 PolarHBondContact O-N 3.11Å; N100-V102 VanDerWaalsContact C-N 3.27Å; N100-V102 PolarHBondContact O-N 3.15Å; N100-Q103 PolarHBondContact O-N 3.05Å; N100-A104 VanDerWaalsContact O-CB 3.26Å; N100-A104 WeakPolarHBondContact O-CB 3.36Å; N100-A104 PolarHBondContact O-N 2.84Å
101	S	74.7	Confident	66.6	Low	57 Å²	57	72.4 Å²	72.4	40%	0.399	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-27.3	176.8	80.5	0	0	0	0	113.2	Q97 L98 L99 K105	Q97-S101 WeakPolarHBondContact O-CB 3.24Å; Q97-S101 PolarHBondContact O-N 3.03Å; L98-S101 PolarHBondContact O-N 3.15Å; L98-S101 PolarHBondContact O-OG 3.23Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 2.94Å; S101-K105 WeakPolarHBondContact O-CG 3.39Å
102	V	71.7	Confident	64.8	Low	3 Å²	3	70.6 Å²	70.6	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-78.4	-46.7	175.2	167.1	0	0	0	0	110.6	L98 L99 N100 K105 N106 R975 A978 V979	L98-V102 WeakPolarHBondContact O-CG2 3.44Å; L98-V102 PolarHBondContact O-N 2.81Å; L98-V102 VanDerWaalsContact O-N 3.15Å; L99-V102 WeakPolarHBondContact O-CB 3.27Å; L99-V102 PolarHBondContact O-N 3.07Å; L99-V102 VanDerWaalsContact O-N 3.1Å; N100-V102 VanDerWaalsContact C-N 3.27Å; N100-V102 PolarHBondContact O-N 3.15Å; V102-K105 WeakPolarHBondContact O-CB 3.23Å; V102-K105 PolarHBondContact O-N 3.32Å; V102-N106 PolarHBondContact O-N 2.97Å; V102-R975 HydrophobicContact CG1-CG 4.03Å; V102-A978 HydrophobicContact CG2-CB 3.58Å; V102-V979 HydrophobicContact CG1-CG2 4Å; V102-V979 HydrophobicContact CG2-CG2 4.08Å
103	Q	69.6	Low	62.8	Low	66 Å²	66	76.4 Å²	76.4	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-42.4	179.1	-69.5	175.4	-10.3	0	0	112.1	L99 N100 K105 N106 D107	L99-Q103 PolarHBondContact O-N 3.08Å; N100-Q103 PolarHBondContact O-N 3.05Å; Q103-K105 PolarHBondContact O-N 2.9Å; Q103-K105 VanDerWaalsContact O-N 3.15Å; Q103-N106 WeakPolarHBondContact O-CB 3.38Å; Q103-N106 PolarHBondContact O-N 3.22Å; Q103-D107 PolarHBondContact O-N 3.39Å; Q103-D107 VanDerWaalsContact O-N 3.12Å
104	A	60.4	Low	60.8	Low	51 Å²	51	76.8 Å²	76.8	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-13.8	176.7	0	0	0	0	0	114.6	N100	N100-A104 VanDerWaalsContact O-CB 3.26Å; N100-A104 WeakPolarHBondContact O-CB 3.36Å; N100-A104 PolarHBondContact O-N 2.84Å
105	K	59	Low	58.3	Low	89 Å²	89	77.6 Å²	77.6	39%	0.387	42%	0.416	S	S	.	.	H	α-helix	trans	-82.1	-42.9	168.1	-75.5	179.5	177.4	-168	0	111.6	S101 V102 Q103 D107 K108 E109 K973	S101-K105 WeakPolarHBondContact O-CG 3.39Å; V102-K105 WeakPolarHBondContact O-CB 3.23Å; V102-K105 PolarHBondContact O-N 3.32Å; Q103-K105 PolarHBondContact O-N 2.9Å; Q103-K105 VanDerWaalsContact O-N 3.15Å; K105-D107 VanDerWaalsContact C-N 3.3Å; K105-D107 PolarHBondContact O-N 3.28Å; K105-K108 PolarHBondContact O-N 2.84Å; K105-K108 VanDerWaalsContact O-N 3.17Å; K105-E109 PolarHBondContact O-N 2.8Å; K105-K973 PolarHBondContact NZ-O 2.91Å
106	N	54.8	Low	56	Low	48 Å²	48	88.3 Å²	88.3	26%	0.257	46%	0.456	S	S	.	.	H	α-helix	trans	-55.9	-44.8	174.6	-85.6	23.8	0	0	0	111.6	V102 Q103 K108 E109 S110 R975	V102-N106 PolarHBondContact O-N 2.97Å; Q103-N106 WeakPolarHBondContact O-CB 3.38Å; Q103-N106 PolarHBondContact O-N 3.22Å; N106-K108 VanDerWaalsContact C-N 3.3Å; N106-K108 PolarHBondContact O-N 2.77Å; N106-E109 PolarHBondContact O-N 2.94Å; N106-S110 VanDerWaalsContact O-CB 3.27Å; N106-S110 WeakPolarHBondContact O-CB 3.16Å; N106-S110 PolarHBondContact O-N 2.91Å; N106-S110 PolarHBondContact O-OG 3.37Å; N106-R975 VanDerWaalsContact CG-NH1 3.25Å; N106-R975 PolarHBondContact ND2-NH1 3.45Å; N106-R975 PolarHBondContact OD1-NH1 2.9Å
107	D	50.6	Low	53.4	Low	105 Å²	105	94.3 Å²	94.3	56%	0.561	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-40.7	179.9	-64.9	-25.8	0	0	0	111.5	Q103 K105 S110 E111	Q103-D107 PolarHBondContact O-N 3.39Å; Q103-D107 VanDerWaalsContact O-N 3.12Å; K105-D107 VanDerWaalsContact C-N 3.3Å; K105-D107 PolarHBondContact O-N 3.28Å; D107-S110 WeakPolarHBondContact O-CB 3.48Å; D107-S110 PolarHBondContact O-N 3.06Å; D107-E111 WeakPolarHBondContact O-CG 3.28Å; D107-E111 PolarHBondContact O-N 3.4Å
108	K	48.5	Very low	50.8	Low	148 Å²	148	92.5 Å²	92.5	64%	0.643	49%	0.485	S	S	*	.	H	α-helix	trans	-72.4	-36.1	177.5	-73.7	-176.9	176.4	-177.6	0	114.1	K105 N106 S110 A112	K105-K108 PolarHBondContact O-N 2.84Å; K105-K108 VanDerWaalsContact O-N 3.17Å; N106-K108 VanDerWaalsContact C-N 3.3Å; N106-K108 PolarHBondContact O-N 2.77Å; K108-S110 VanDerWaalsContact C-N 3.33Å; K108-A112 VanDerWaalsContact O-CB 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.25Å; K108-A112 PolarHBondContact O-N 2.84Å
109	E	47.8	Very low	48.7	Very low	124 Å²	124	96.2 Å²	96.2	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-72.4	-31.5	174.6	-72.9	177.2	174.9	0	0	111.1	K105 N106 A112 Q113	K105-E109 PolarHBondContact O-N 2.8Å; N106-E109 PolarHBondContact O-N 2.94Å; E109-A112 PolarHBondContact O-N 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.27Å; E109-Q113 PolarHBondContact O-N 3.04Å
110	S	41.4	Very low	46.3	Very low	59 Å²	59	105.3 Å²	105.3	41%	0.413	55%	0.554	S	S	.	*	H	α-helix	trans	-65.5	-49.6	170.5	-56.3	0	0	0	0	111.5	N106 D107 K108 A112 Q113 I114	N106-S110 VanDerWaalsContact O-CB 3.27Å; N106-S110 WeakPolarHBondContact O-CB 3.16Å; N106-S110 PolarHBondContact O-N 2.91Å; N106-S110 PolarHBondContact O-OG 3.37Å; D107-S110 WeakPolarHBondContact O-CB 3.48Å; D107-S110 PolarHBondContact O-N 3.06Å; K108-S110 VanDerWaalsContact C-N 3.33Å; S110-A112 VanDerWaalsContact C-N 3.31Å; S110-A112 PolarHBondContact O-N 3.5Å; S110-Q113 PolarHBondContact O-N 3.01Å; S110-I114 WeakPolarHBondContact O-CD1 3.44Å; S110-I114 VanDerWaalsContact O-CG1 3.28Å; S110-I114 WeakPolarHBondContact O-CG1 3.33Å; S110-I114 PolarHBondContact O-N 3.48Å
111	E	37.4	Very low	44	Very low	138 Å²	138	108 Å²	108	65%	0.645	57%	0.568	S	S	*	*	H	α-helix	trans	-59.8	-40.5	174	-75.6	-177.9	153	0	0	111.8	D107 I114 S115	D107-E111 WeakPolarHBondContact O-CG 3.28Å; D107-E111 PolarHBondContact O-N 3.4Å; E111-I114 PolarHBondContact O-N 2.95Å; E111-S115 PolarHBondContact O-N 3.05Å
112	A	37.6	Very low	41.9	Very low	53 Å²	53	114.5 Å²	114.5	44%	0.438	59%	0.592	S	S	.	*	H	α-helix	trans	-65.4	-39.1	176.6	0	0	0	0	0	112.7	K108 E109 S110 S115	K108-A112 VanDerWaalsContact O-CB 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.25Å; K108-A112 PolarHBondContact O-N 2.84Å; E109-A112 PolarHBondContact O-N 3.28Å; S110-A112 VanDerWaalsContact C-N 3.31Å; S110-A112 PolarHBondContact O-N 3.5Å; A112-S115 PolarHBondContact O-N 3.2Å
113	Q	33.6	Very low	39.7	Very low	146 Å²	146	117 Å²	117	68%	0.682	62%	0.619	S	S	*	*	H	α-helix	trans	-67.7	-37	174.9	-79.7	-174	-6.7	0	0	112.8	E109 S110 S115 W116	E109-Q113 WeakPolarHBondContact O-CG 3.27Å; E109-Q113 PolarHBondContact O-N 3.04Å; S110-Q113 PolarHBondContact O-N 3.01Å; Q113-S115 PolarHBondContact O-N 2.68Å; Q113-W116 PolarHBondContact O-N 2.83Å
114	I	36.1	Very low	37.7	Very low	126 Å²	126	125.6 Å²	125.6	65%	0.646	65%	0.651	S	S	*	*	H	α-helix	trans	-63	-32.1	177.2	-68.5	163	0	0	0	111.2	S110 E111 W116 F117	S110-I114 WeakPolarHBondContact O-CD1 3.44Å; S110-I114 VanDerWaalsContact O-CG1 3.28Å; S110-I114 WeakPolarHBondContact O-CG1 3.33Å; S110-I114 PolarHBondContact O-N 3.48Å; E111-I114 PolarHBondContact O-N 2.95Å; I114-W116 PolarHBondContact O-N 2.96Å; I114-F117 PolarHBondContact O-N 3.24Å
115	S	28.6	Very low	36	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-13.6	178.5	-170.1	0	0	0	0	115.3	E111 A112 Q113	E111-S115 PolarHBondContact O-N 3.05Å; A112-S115 PolarHBondContact O-N 3.2Å; Q113-S115 PolarHBondContact O-N 2.68Å
116	W	29.9	Very low	34.5	Very low	225 Å²	225	128.8 Å²	128.8	85%	0.852	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-4.9	177.5	-68.8	86	0	0	0	113.8	Q113 I114	Q113-W116 PolarHBondContact O-N 2.83Å; I114-W116 PolarHBondContact O-N 2.96Å
117	F	28.2	Very low	33.1	Very low	181 Å²	181	135.5 Å²	135.5	79%	0.794	72%	0.717	S	S	*	*			trans	-114.7	41.1	-177.2	-75.8	-81.5	0	0	0	113.2	I114 P119	I114-F117 PolarHBondContact O-N 3.24Å; F117-P119 VanDerWaalsContact O-CD 3.32Å; F117-P119 WeakPolarHBondContact O-CD 3.22Å
118	A	25.5	Very low	32.1	Very low	88 Å²	88	136.9 Å²	136.9	73%	0.727	73%	0.729	S	S	*	*			trans	-83.8	111.9	163.7	0	0	0	0	0	109.5
119	P	31.3	Very low	30.9	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-80.6	135.5	177.9	-6.1	25.3	0	0	0	110.3	F117	F117-P119 VanDerWaalsContact O-CD 3.32Å; F117-P119 WeakPolarHBondContact O-CD 3.22Å
120	E	27.5	Very low	30	Very low	197 Å²	197	135 Å²	135	92%	0.921	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-69.5	138	164.5	-72.3	-171.8	151.2	0	0	110.4
121	D	30.4	Very low	29.3	Very low	142 Å²	142	141.9 Å²	141.9	76%	0.759	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-79.9	117.7	-170.8	172.3	23	0	0	0	112.3
122	H	30.2	Very low	28.9	Very low	194 Å²	194	143.2 Å²	143.2	90%	0.898	78%	0.777	S	S	*	*			trans	-150.5	92.7	158.4	-85.8	-22.7	0	0	0	113.3
123	G	24.8	Very low	28.4	Very low	57 Å²	57	147.3 Å²	147.3	59%	0.588	80%	0.797	S	S	*	*				78.3	123.5	115.8	0	0	0	0	0	121.5
124	Y	27.4	Very low	28.3	Very low	246 Å²	246	146 Å²	146	97%	0.965	80%	0.802	S	S	*	*			trans	79.5	127.2	153.4	-69.4	-86.6	0	0	0	121.3
125	G	26.1	Very low	27.7	Very low	74 Å²	74	145.8 Å²	145.8	76%	0.763	81%	0.81	S	S	*	*				126	74.9	124.7	0	0	0	0	0	118.2
126	T	26.6	Very low	27.6	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	80%	0.801	S	S	*	*			trans	-49.8	136.8	154.5	38.2	0	0	0	0	112.5
127	E	25.8	Very low	27.8	Very low	189 Å²	189	142.4 Å²	142.4	88%	0.883	80%	0.801	S	S	*	*				178.9	169	93.1	-128.1	165.6	-139	0	0	113.6
128	V	29.9	Very low	27.9	Very low	133 Å²	133	142 Å²	142	81%	0.806	80%	0.798	S	S	*	*			trans	-108.3	137.3	-173.7	174.4	0	0	0	0	111.1
129	S	23.3	Very low	28.1	Very low	119 Å²	119	145.1 Å²	145.1	83%	0.832	80%	0.796	S	S	*	*			trans	-154.4	148.7	155	-159.4	0	0	0	0	114.2
130	T	27.7	Very low	28.2	Very low	115 Å²	115	145.4 Å²	145.4	71%	0.706	79%	0.79	S	S	*	*			trans	-95.8	154	-170.2	51.5	0	0	0	0	113.1
131	K	27.5	Very low	28.8	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	77%	0.766	S	S	*	*			trans	-175.2	140.4	132.9	-102.9	159.5	-170.6	177.8	0	113.5
132	N	28.1	Very low	29.2	Very low	166 Å²	166	137.6 Å²	137.6	89%	0.888	75%	0.753	S	S	*	*			trans	-88.3	142.7	172.6	-77.7	-23.2	0	0	0	111.8
133	T	27	Very low	29.4	Very low	140 Å²	140	134.3 Å²	134.3	86%	0.859	74%	0.738	S	S	*	*			trans	-153.8	143.8	153.8	-10.2	0	0	0	0	109.1
134	P	33.4	Very low	30.3	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	74%	0.737	S	S	*	*			trans	-100.2	177.8	-162.7	38.9	-35.3	0	0	0	115
135	C	23.4	Very low	30.9	Very low	120 Å²	120	131.2 Å²	131.2	81%	0.811	72%	0.715	S	S	*	*			trans	82.6	111.4	163.5	-160.3	0	0	0	0	118.2
136	S	26.3	Very low	31.2	Very low	72 Å²	72	134.2 Å²	134.2	50%	0.503	71%	0.708	S	S	.	*				173.3	130.6	105.4	44.2	0	0	0	0	112.3	K138 K139	S136-K138 PolarHBondContact O-N 3.43Å; S136-K139 PolarHBondContact O-N 3.39Å
137	E	32.5	Very low	31.7	Very low	181 Å²	181	132.6 Å²	132.6	85%	0.846	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-4.2	-177.8	-65.8	163.8	134.5	0	0	114.1	K139	E137-K139 VanDerWaalsContact C-N 3.35Å; E137-K139 PolarHBondContact O-N 3.05Å
138	K	31.7	Very low	32.5	Very low	172 Å²	172	127 Å²	127	75%	0.748	67%	0.669	S	S	*	*	H	α-helix	trans	-79.6	-8.7	178.2	-67.3	-174.1	176.6	-179.1	0	114.6	S136 I142	S136-K138 PolarHBondContact O-N 3.43Å; K138-I142 WeakPolarHBondContact O-CD1 3.39Å; K138-I142 WeakPolarHBondContact O-CG1 3.46Å
139	K	29.3	Very low	32.7	Very low	153 Å²	153	125.5 Å²	125.5	67%	0.665	66%	0.656	S	S	*	*	H	α-helix	trans	-82.1	-34.9	176.3	-83.8	-175.6	175.2	178.1	0	113.7	S136 E137 I142 Q143	S136-K139 PolarHBondContact O-N 3.39Å; E137-K139 VanDerWaalsContact C-N 3.35Å; E137-K139 PolarHBondContact O-N 3.05Å; K139-I142 PolarHBondContact O-N 3.28Å; K139-Q143 VanDerWaalsContact O-CB 3.31Å; K139-Q143 WeakPolarHBondContact O-CB 3.44Å; K139-Q143 PolarHBondContact O-N 3.41Å
140	L	33.5	Very low	33	Very low	130 Å²	130	126 Å²	126	68%	0.681	65%	0.646	S	S	*	*	H	α-helix	trans	-62	-51	-179	-77.1	162.7	0	0	0	111.3	I142 Q143 E144	L140-I142 VanDerWaalsContact C-N 3.27Å; L140-I142 PolarHBondContact O-N 2.84Å; L140-Q143 PolarHBondContact O-N 2.88Å; L140-E144 WeakPolarHBondContact O-CB 3.34Å; L140-E144 PolarHBondContact O-N 3.13Å
141	D	39.6	Very low	33.6	Very low	77 Å²	77	126.3 Å²	126.3	41%	0.412	64%	0.639	S	S	.	*	H	α-helix	trans	-60.6	-31.7	-180	-175.9	45.3	0	0	0	113.4	K145	D141-K145 VanDerWaalsContact O-CB 3.32Å; D141-K145 WeakPolarHBondContact O-CB 3.31Å; D141-K145 VanDerWaalsContact O-CD 3.29Å; D141-K145 WeakPolarHBondContact O-CD 3.34Å; D141-K145 WeakPolarHBondContact O-CG 3.48Å; D141-K145 PolarHBondContact O-N 2.8Å; D141-K145 WeakPolarHBondContact OD1-CE 3.39Å; D141-K145 IonicContact OD1-NZ 2.87Å; D141-K145 PolarHBondContact OD1-NZ 3.31Å; D141-K145 IonicContact OD2-NZ 3.17Å; D141-K145 PolarHBondContact OD2-NZ 3.31Å
142	I	38.8	Very low	34	Very low	98 Å²	98	122.1 Å²	122.1	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-76.7	-33.8	174.2	-63.9	173.9	0	0	0	111.5	K138 K139 L140 K146	K138-I142 WeakPolarHBondContact O-CD1 3.39Å; K138-I142 WeakPolarHBondContact O-CG1 3.46Å; K139-I142 PolarHBondContact O-N 3.28Å; L140-I142 VanDerWaalsContact C-N 3.27Å; L140-I142 PolarHBondContact O-N 2.84Å; I142-K146 WeakPolarHBondContact O-CB 3.25Å; I142-K146 WeakPolarHBondContact O-CG 3.34Å; I142-K146 PolarHBondContact O-N 2.71Å
143	Q	35.4	Very low	34.1	Very low	124 Å²	124	121.6 Å²	121.6	58%	0.579	61%	0.611	S	S	*	*	H	α-helix	trans	-77.8	-37.1	-178.1	-162.2	151.5	-6.3	0	0	111.3	K139 L140 K146 L147	K139-Q143 VanDerWaalsContact O-CB 3.31Å; K139-Q143 WeakPolarHBondContact O-CB 3.44Å; K139-Q143 PolarHBondContact O-N 3.41Å; L140-Q143 PolarHBondContact O-N 2.88Å; Q143-K146 PolarHBondContact O-N 2.76Å; Q143-L147 PolarHBondContact O-N 2.82Å
144	E	44	Very low	34.1	Very low	122 Å²	122	120.6 Å²	120.6	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-65.8	-46.2	171.6	-165	165.3	-140.5	0	0	111.2	L140 K146 L147 I148	L140-E144 WeakPolarHBondContact O-CB 3.34Å; L140-E144 PolarHBondContact O-N 3.13Å; E144-K146 VanDerWaalsContact C-N 3.26Å; E144-K146 PolarHBondContact O-N 3.38Å; E144-L147 PolarHBondContact O-N 2.54Å; E144-I148 HydrophobicContact CG-CD1 4.28Å; E144-I148 WeakPolarHBondContact O-CG1 3.28Å; E144-I148 PolarHBondContact O-N 2.8Å
145	K	39.6	Very low	34.1	Very low	116 Å²	116	121 Å²	121	50%	0.504	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-28.9	172	-73.9	166.9	-176.1	156.4	0	113.5	D141 N149	D141-K145 VanDerWaalsContact O-CB 3.32Å; D141-K145 WeakPolarHBondContact O-CB 3.31Å; D141-K145 VanDerWaalsContact O-CD 3.29Å; D141-K145 WeakPolarHBondContact O-CD 3.34Å; D141-K145 WeakPolarHBondContact O-CG 3.48Å; D141-K145 PolarHBondContact O-N 2.8Å; D141-K145 WeakPolarHBondContact OD1-CE 3.39Å; D141-K145 IonicContact OD1-NZ 2.87Å; D141-K145 PolarHBondContact OD1-NZ 3.31Å; D141-K145 IonicContact OD2-NZ 3.17Å; D141-K145 PolarHBondContact OD2-NZ 3.31Å; K145-N149 WeakPolarHBondContact O-CB 3.44Å; K145-N149 PolarHBondContact O-N 2.9Å; K145-N149 VanDerWaalsContact O-N 3.13Å
146	K	32.5	Very low	34.7	Very low	137 Å²	137	123.5 Å²	123.5	60%	0.596	58%	0.58	S	S	*	*	H	α-helix	trans	-74.3	-41.7	171.9	-84.3	-177.5	176.7	-175.7	0	112.7	I142 Q143 E144 N149 Q150	I142-K146 WeakPolarHBondContact O-CB 3.25Å; I142-K146 WeakPolarHBondContact O-CG 3.34Å; I142-K146 PolarHBondContact O-N 2.71Å; Q143-K146 PolarHBondContact O-N 2.76Å; E144-K146 VanDerWaalsContact C-N 3.26Å; E144-K146 PolarHBondContact O-N 3.38Å; K146-N149 PolarHBondContact O-N 3.03Å; K146-Q150 WeakPolarHBondContact O-CG 3.27Å; K146-Q150 PolarHBondContact O-N 3.44Å
147	L	37.3	Very low	35.1	Very low	99 Å²	99	126.4 Å²	126.4	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-59.1	-50.4	172.8	-91.3	150.6	0	0	0	110.8	Q143 E144 N149 Q150 E151	Q143-L147 PolarHBondContact O-N 2.82Å; E144-L147 PolarHBondContact O-N 2.54Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 3.46Å; L147-Q150 CarbonylContact O-C 3.27Å; L147-Q150 WeakPolarHBondContact O-CA 3.48Å; L147-Q150 WeakPolarHBondContact O-CB 3.33Å; L147-Q150 PolarHBondContact O-N 2.96Å; L147-E151 WeakPolarHBondContact O-CG 3.15Å; L147-E151 PolarHBondContact O-N 3.16Å
148	I	41.6	Very low	35.2	Very low	73 Å²	73	127.3 Å²	127.3	37%	0.374	58%	0.584	S	S	.	*	H	α-helix	trans	-59	-39	176.4	-66.5	163.8	0	0	0	111.5	E144 K152	E144-I148 HydrophobicContact CG-CD1 4.28Å; E144-I148 WeakPolarHBondContact O-CG1 3.28Å; E144-I148 PolarHBondContact O-N 2.8Å; I148-K152 HydrophobicContact CG2-CD 4.3Å; I148-K152 WeakPolarHBondContact O-CB 3.46Å; I148-K152 VanDerWaalsContact O-CG 3.27Å; I148-K152 WeakPolarHBondContact O-CG 3.41Å; I148-K152 PolarHBondContact O-N 2.84Å
149	N	34.5	Very low	35.5	Very low	101 Å²	101	124.6 Å²	124.6	54%	0.54	58%	0.577	S	S	.	*	H	α-helix	trans	-73.4	-27.8	174.7	-91.3	-5.9	0	0	0	113.7	K145 K146 L147 K153	K145-N149 WeakPolarHBondContact O-CB 3.44Å; K145-N149 PolarHBondContact O-N 2.9Å; K145-N149 VanDerWaalsContact O-N 3.13Å; K146-N149 PolarHBondContact O-N 3.03Å; L147-N149 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 3.46Å; N149-K153 PolarHBondContact O-N 3.38Å; N149-K153 VanDerWaalsContact O-N 3.17Å
150	Q	30.3	Very low	35.7	Very low	129 Å²	129	126.1 Å²	126.1	60%	0.603	58%	0.584	S	S	*	*	H	α-helix	trans	-72.2	-39.7	170.4	-79.2	-178.7	-71	0	0	111.4	K146 L147 K153 M154	K146-Q150 WeakPolarHBondContact O-CG 3.27Å; K146-Q150 PolarHBondContact O-N 3.44Å; L147-Q150 CarbonylContact O-C 3.27Å; L147-Q150 WeakPolarHBondContact O-CA 3.48Å; L147-Q150 WeakPolarHBondContact O-CB 3.33Å; L147-Q150 PolarHBondContact O-N 2.96Å; Q150-K153 CarbonylContact O-C 3.59Å; Q150-K153 PolarHBondContact O-N 3.15Å; Q150-K153 VanDerWaalsContact O-N 3.15Å; Q150-M154 PolarHBondContact O-N 3.49Å
151	E	38.3	Very low	35.7	Very low	121 Å²	121	124.7 Å²	124.7	57%	0.565	59%	0.585	S	S	*	*	H	α-helix	trans	-63.1	-46.6	172.8	-71.4	-175.8	135.7	0	0	111.4	L147 K153 M154 F155	L147-E151 WeakPolarHBondContact O-CG 3.15Å; L147-E151 PolarHBondContact O-N 3.16Å; E151-K153 PolarHBondContact O-N 3.07Å; E151-M154 PolarHBondContact O-N 2.9Å; E151-M154 VanDerWaalsContact O-N 3.15Å; E151-F155 WeakPolarHBondContact O-CB 3.43Å; E151-F155 PolarHBondContact O-N 3.05Å
152	K	36.6	Very low	35.7	Very low	115 Å²	115	131.4 Å²	131.4	50%	0.5	61%	0.606	S	S	.	*	H	α-helix	trans	-55.8	-32.3	171.5	-76.3	173.8	179.6	-179.9	0	112.9	I148	I148-K152 HydrophobicContact CG2-CD 4.3Å; I148-K152 WeakPolarHBondContact O-CB 3.46Å; I148-K152 VanDerWaalsContact O-CG 3.27Å; I148-K152 WeakPolarHBondContact O-CG 3.41Å; I148-K152 PolarHBondContact O-N 2.84Å
153	K	29.7	Very low	35.9	Very low	155 Å²	155	130.7 Å²	130.7	67%	0.674	60%	0.602	S	S	*	*	H	α-helix	trans	-80.4	-38.9	174.8	-109.2	-176.6	174.9	-177	0	113.4	N149 Q150 E151 I157	N149-K153 PolarHBondContact O-N 3.38Å; N149-K153 VanDerWaalsContact O-N 3.17Å; Q150-K153 CarbonylContact O-C 3.59Å; Q150-K153 PolarHBondContact O-N 3.15Å; Q150-K153 VanDerWaalsContact O-N 3.15Å; E151-K153 PolarHBondContact O-N 3.07Å; K153-I157 WeakPolarHBondContact O-CD1 3.35Å; K153-I157 WeakPolarHBondContact O-CG1 3.16Å
154	M	27.8	Very low	36.6	Very low	118 Å²	118	129.4 Å²	129.4	58%	0.581	60%	0.6	S	S	*	*	H	α-helix	trans	-69.1	-40.8	177.8	-81.9	-168.8	66.8	0	0	112.1	Q150 E151 R156 I157	Q150-M154 PolarHBondContact O-N 3.49Å; E151-M154 PolarHBondContact O-N 2.9Å; E151-M154 VanDerWaalsContact O-N 3.15Å; M154-R156 VanDerWaalsContact C-N 3.3Å; M154-R156 PolarHBondContact O-N 3.17Å; M154-I157 PolarHBondContact O-N 3.34Å
155	F	34.6	Very low	36.9	Very low	129 Å²	129	133.5 Å²	133.5	57%	0.566	61%	0.61	S	S	*	*	H	α-helix	trans	-64.7	-36	178.8	-152.4	-97.6	0	0	0	111.6	E151 I157	E151-F155 WeakPolarHBondContact O-CB 3.43Å; E151-F155 PolarHBondContact O-N 3.05Å; F155-I157 PolarHBondContact O-N 2.88Å; F155-I157 VanDerWaalsContact O-N 3.14Å
156	R	35.4	Very low	37.5	Very low	172 Å²	172	129.7 Å²	129.7	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-62.2	-14.5	174.6	-92.2	-174.3	157.8	179.9	-4.2	115.4	M154 E173	M154-R156 VanDerWaalsContact C-N 3.3Å; M154-R156 PolarHBondContact O-N 3.17Å; R156-E173 IonicContact CZ-OE1 2.68Å; R156-E173 IonicContact NH1-OE1 2.89Å; R156-E173 PolarHBondContact NH1-OE1 3.43Å; R156-E173 IonicContact NH2-OE1 2.73Å; R156-E173 PolarHBondContact NH2-OE1 3.21Å
157	I	33.6	Very low	38.5	Very low	132 Å²	132	124.7 Å²	124.7	68%	0.677	58%	0.577	S	S	*	*	H	α-helix	trans	-108.3	-21.8	-169.5	-67	172.9	0	0	0	113.4	K153 M154 F155	K153-I157 WeakPolarHBondContact O-CD1 3.35Å; K153-I157 WeakPolarHBondContact O-CG1 3.16Å; M154-I157 PolarHBondContact O-N 3.34Å; F155-I157 PolarHBondContact O-N 2.88Å; F155-I157 VanDerWaalsContact O-N 3.14Å
158	R	35.7	Very low	39.6	Very low	201 Å²	201	126 Å²	126	76%	0.758	58%	0.581	S	S	*	*	H	α-helix	trans	-84.4	-28.2	-171	-88.8	-176.3	168.9	176.9	-5.4	116.9
159	N	37	Very low	40.7	Very low	114 Å²	114	124.1 Å²	124.1	61%	0.61	57%	0.569	S	S	*	*			trans	-109.3	71.6	-171.3	-69.6	2.1	0	0	0	113	I163	N159-I163 WeakPolarHBondContact O-CD1 3.3Å; N159-I163 VanDerWaalsContact O-CG1 3.25Å; N159-I163 WeakPolarHBondContact O-CG1 3.18Å
160	K	33.9	Very low	42	Very low	185 Å²	185	119.9 Å²	119.9	80%	0.804	55%	0.547	S	S	*	.			trans	-107.7	-10.5	174.5	-99	-171.1	176.5	-175.2	0	115.8
161	S	34.1	Very low	43.5	Very low	101 Å²	101	117.6 Å²	117.6	71%	0.706	54%	0.538	S	S	*	.	S	Bend	trans	-87.2	-29.3	-174.9	45.1	0	0	0	0	114.5
162	Y	40	Very low	44.7	Very low	218 Å²	218	116.9 Å²	116.9	86%	0.855	54%	0.535	S	S	*	.			trans	-141.8	78.9	177.4	-75.6	-83.3	0	0	0	110.8
163	I	42.4	Very low	45.9	Very low	82 Å²	82	116.8 Å²	116.8	42%	0.421	54%	0.536	S	S	.	.			trans	-93.7	117.2	167.4	-58.2	178.7	0	0	0	107.3	N159 E168	N159-I163 WeakPolarHBondContact O-CD1 3.3Å; N159-I163 VanDerWaalsContact O-CG1 3.25Å; N159-I163 WeakPolarHBondContact O-CG1 3.18Å; I163-E168 HydrophobicContact CG2-CB 4.1Å
164	D	50.7	Low	47.6	Very low	97 Å²	97	111.4 Å²	111.4	52%	0.519	52%	0.515	S	S	.	.			trans	-60.1	143.7	168.2	-175.1	4.3	0	0	0	110	D166 S167 E168	D164-D166 PolarHBondContact O-N 3.24Å; D164-D166 PolarHBondContact OD1-N 3.07Å; D164-S167 WeakPolarHBondContact O-CA 3.49Å; D164-S167 WeakPolarHBondContact O-CB 3.33Å; D164-S167 PolarHBondContact O-N 3.12Å; D164-E168 PolarHBondContact O-N 2.83Å
165	R	48.8	Very low	49.9	Very low	208 Å²	208	113 Å²	113	79%	0.785	52%	0.52	S	S	*	.	H	α-helix	trans	-56.3	-34.9	177.7	-74.4	-172.9	179.3	-174	1.2	111.9	S167 E168 Y169	R165-S167 VanDerWaalsContact C-N 3.32Å; R165-E168 PolarHBondContact O-N 2.84Å; R165-Y169 PolarHBondContact O-N 3.01Å
166	D	52.3	Low	52	Low	36 Å²	36	111.7 Å²	111.7	19%	0.193	53%	0.525	C	S	.	.	H	α-helix	trans	-62.9	-38.9	175.1	-82.3	7.9	0	0	0	110.9	D164 L170 Q293	D164-D166 PolarHBondContact O-N 3.24Å; D164-D166 PolarHBondContact OD1-N 3.07Å; D166-L170 VanDerWaalsContact O-CD1 3.23Å; D166-L170 WeakPolarHBondContact O-CD1 3.19Å; D166-L170 WeakPolarHBondContact O-CG 3.2Å; D166-Q293 PolarHBondContact OD2-NE2 3.25Å
167	S	53.6	Low	54.6	Low	32 Å²	32	106.2 Å²	106.2	22%	0.224	51%	0.509	C	S	.	.	H	α-helix	trans	-71.1	-33	175.6	-63.8	0	0	0	0	113.4	D164 R165 L170 L171	D164-S167 WeakPolarHBondContact O-CA 3.49Å; D164-S167 WeakPolarHBondContact O-CB 3.33Å; D164-S167 PolarHBondContact O-N 3.12Å; R165-S167 VanDerWaalsContact C-N 3.32Å; S167-L170 PolarHBondContact O-N 3.3Å; S167-L171 WeakPolarHBondContact O-CG 3.46Å; S167-L171 PolarHBondContact O-N 3.38Å
168	E	59.7	Low	57.3	Low	126 Å²	126	102.5 Å²	102.5	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-38.4	175.3	-170	175.4	-157.9	0	0	112	I163 D164 R165 L170	I163-E168 HydrophobicContact CG2-CB 4.1Å; D164-E168 PolarHBondContact O-N 2.83Å; R165-E168 PolarHBondContact O-N 2.84Å; E168-L170 PolarHBondContact O-N 3.09Å
169	Y	65.3	Low	60.1	Low	34 Å²	34	98.1 Å²	98.1	13%	0.133	50%	0.499	C	S	.	.	H	α-helix	trans	-64.3	-23.8	173.9	176.4	-91.6	0	0	0	113.8	R165 R258 L300 R302 L308	R165-Y169 PolarHBondContact O-N 3.01Å; Y169-R258 PolarHBondContact O-NH2 3.27Å; Y169-L300 HydrophobicContact CD1-CD1 4.43Å; Y169-L300 HydrophobicContact CD2-CD1 4.21Å; Y169-L300 HydrophobicContact CG-CD1 3.99Å; Y169-R302 PolarHBondContact OH-O 2.82Å; Y169-L308 HydrophobicContact CE1-CD2 4.12Å
170	L	62.3	Low	62.8	Low	13 Å²	13	94.4 Å²	94.4	7%	0.068	48%	0.478	C	S	.	.	H	α-helix	trans	-95.3	-39.2	-173.2	-66.7	165.2	0	0	0	113.5	D166 S167 E168 W318 S327	D166-L170 VanDerWaalsContact O-CD1 3.23Å; D166-L170 WeakPolarHBondContact O-CD1 3.19Å; D166-L170 WeakPolarHBondContact O-CG 3.2Å; S167-L170 PolarHBondContact O-N 3.3Å; E168-L170 PolarHBondContact O-N 3.09Å; L170-W318 VanDerWaalsContact CD1-CD1 3.47Å; L170-W318 HydrophobicContact CD1-CD2 3.63Å; L170-W318 VanDerWaalsContact CD1-CE2 3.42Å; L170-W318 HydrophobicContact CD1-CE3 4.4Å; L170-W318 HydrophobicContact CD1-CG 3.71Å; L170-W318 HydrophobicContact CD1-CZ2 4.11Å; L170-W318 VanDerWaalsContact CD1-NE1 3.27Å; L170-W318 HydrophobicContact CD2-CD2 3.7Å; L170-W318 HydrophobicContact CD2-CE3 3.62Å; L170-W318 HydrophobicContact CD2-CH2 3.65Å; L170-W318 HydrophobicContact CD2-CZ2 3.69Å; L170-W318 HydrophobicContact CD2-CZ3 3.59Å; L170-W318 HydrophobicContact CG-CD2 4.32Å; L170-W318 HydrophobicContact CG-CZ2 4.48Å; L170-S327 WeakPolarHBondContact O-CB 3.34Å; L170-S327 PolarHBondContact O-OG 3.04Å
171	L	61.7	Low	65.7	Low	80 Å²	80	86.4 Å²	86.4	42%	0.419	44%	0.444	S	S	.	.	H	α-helix	trans	-87.1	-2.2	-171	-66.9	170.2	0	0	0	114.3	S167 D322	S167-L171 WeakPolarHBondContact O-CG 3.46Å; S167-L171 PolarHBondContact O-N 3.38Å; L171-D322 HydrophobicContact CD2-CB 4Å
172	Q	63.3	Low	68.7	Low	107 Å²	107	86.3 Å²	86.3	50%	0.5	43%	0.433	S	S	.	.	S	Bend	trans	-87.6	129.4	-177.3	-150.1	-173.4	48.1	0	0	111.8	K303	Q172-K303 VanDerWaalsContact OE1-CE 3.26Å
173	E	62.1	Low	71.3	Confident	112 Å²	112	82.9 Å²	82.9	52%	0.523	42%	0.422	S	S	.	.			trans	-60.6	146.1	-176.6	-69.7	172.5	166.7	0	0	112.6	R156 K303	R156-E173 IonicContact CZ-OE1 2.68Å; R156-E173 IonicContact NH1-OE1 2.89Å; R156-E173 PolarHBondContact NH1-OE1 3.43Å; R156-E173 IonicContact NH2-OE1 2.73Å; R156-E173 PolarHBondContact NH2-OE1 3.21Å; E173-K303 WeakPolarHBondContact O-CE 3.32Å; E173-K303 PolarHBondContact O-NZ 2.84Å
174	N	66.1	Low	73.9	Confident	43 Å²	43	79.4 Å²	79.4	23%	0.23	41%	0.405	C	S	.	.			trans	-106.5	70	179.7	-61.3	-50.9	0	0	0	110.7	R258 S327	N174-R258 VanDerWaalsContact CG-CD 3.43Å; N174-R258 VanDerWaalsContact ND2-CD 3.3Å; N174-R258 WeakPolarHBondContact ND2-CD 3.2Å; N174-R258 PolarHBondContact ND2-NE 3Å; N174-R258 WeakPolarHBondContact OD1-CD 3.46Å; N174-S327 VanDerWaalsContact ND2-C 3.33Å; N174-S327 WeakPolarHBondContact ND2-CA 3.27Å; N174-S327 WeakPolarHBondContact ND2-CB 3.5Å; N174-S327 PolarHBondContact ND2-O 3.22Å
175	E	76.4	Confident	76.1	Confident	150 Å²	150	76.8 Å²	76.8	70%	0.701	39%	0.39	S	S	*	.			trans	-67.5	136.8	170.3	-60.8	-166.3	137.9	0	0	109.9	D177 Q304	E175-D177 PolarHBondContact O-N 3.49Å; E175-Q304 PolarHBondContact O-NE2 3.47Å
176	P	78.5	Confident	78.3	Confident	103 Å²	103	70.9 Å²	70.9	67%	0.669	37%	0.372	S	S	*	.			trans	-59.3	129.8	176	-23.9	34.2	0	0	0	111.5
177	D	89.2	Confident	80.3	Confident	57 Å²	57	72 Å²	72	31%	0.305	38%	0.378	S	S	.	.			trans	-116.1	100.4	179.6	176.9	-4.3	0	0	0	109.6	E175 T179 L180 D181 S255	E175-D177 PolarHBondContact O-N 3.49Å; D177-T179 PolarHBondContact O-N 3.4Å; D177-T179 WeakPolarHBondContact OD1-CA 3.41Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 PolarHBondContact OD1-N 3.17Å; D177-T179 PolarHBondContact OD1-OG1 3.29Å; D177-T179 PolarHBondContact OD2-OG1 2.98Å; D177-L180 HydrophobicContact CB-CB 3.88Å; D177-L180 PolarHBondContact O-N 2.95Å; D177-L180 VanDerWaalsContact O-N 3.09Å; D177-L180 PolarHBondContact OD1-N 2.85Å; D177-L180 VanDerWaalsContact OD1-N 3.1Å; D177-L180 WeakPolarHBondContact OD2-CB 3.39Å; D177-D181 PolarHBondContact O-N 3.47Å; D177-D181 VanDerWaalsContact O-OD2 3.07Å; D177-S255 PolarHBondContact N-OG 2.97Å
178	G	90.5	Very high	82.3	Confident	53 Å²	53	70.8 Å²	70.8	55%	0.546	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-23.2	179.2	0	0	0	0	0	114.3	Q182	G178-Q182 PolarHBondContact O-N 3.15Å
179	T	93.7	Very high	83.9	Confident	110 Å²	110	69.2 Å²	69.2	68%	0.675	36%	0.361	S	S	*	.	H	α-helix	trans	-76.5	-38.2	174.8	75	0	0	0	0	110.9	D177 K183	D177-T179 PolarHBondContact O-N 3.4Å; D177-T179 WeakPolarHBondContact OD1-CA 3.41Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 PolarHBondContact OD1-N 3.17Å; D177-T179 PolarHBondContact OD1-OG1 3.29Å; D177-T179 PolarHBondContact OD2-OG1 2.98Å; T179-K183 WeakPolarHBondContact O-CB 3.05Å; T179-K183 PolarHBondContact O-N 3.15Å; T179-K183 VanDerWaalsContact O-N 3.1Å
180	L	93.8	Very high	85.3	Confident	35 Å²	35	74 Å²	74	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-69.5	-38.7	172.2	-176.5	60.8	0	0	0	111.6	D177 Q182 K183 L184 Q304	D177-L180 HydrophobicContact CB-CB 3.88Å; D177-L180 PolarHBondContact O-N 2.95Å; D177-L180 VanDerWaalsContact O-N 3.09Å; D177-L180 PolarHBondContact OD1-N 2.85Å; D177-L180 VanDerWaalsContact OD1-N 3.1Å; D177-L180 WeakPolarHBondContact OD2-CB 3.39Å; L180-Q182 PolarHBondContact O-N 3.27Å; L180-K183 PolarHBondContact O-N 2.99Å; L180-L184 HydrophobicContact CD1-CD1 4.32Å; L180-L184 HydrophobicContact CD1-CD2 4.48Å; L180-L184 HydrophobicContact CD1-CG 4.05Å; L180-L184 HydrophobicContact CG-CD1 3.97Å; L180-L184 HydrophobicContact CG-CG 4.17Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.18Å; L180-L184 PolarHBondContact O-N 3.04Å; L180-Q304 HydrophobicContact CD2-CB 3.59Å
181	D	95.8	Very high	86.7	Confident	17 Å²	17	74.4 Å²	74.4	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-56.2	-50.8	175.2	-75	-45	0	0	0	111.8	D177 K183 L184 L185 K253 G254 S255	D177-D181 PolarHBondContact O-N 3.47Å; D177-D181 VanDerWaalsContact O-OD2 3.07Å; D181-K183 PolarHBondContact O-N 3.17Å; D181-L184 PolarHBondContact O-N 2.88Å; D181-L185 PolarHBondContact O-N 2.7Å; D181-K253 VanDerWaalsContact OD1-CA 3.27Å; D181-K253 WeakPolarHBondContact OD1-CA 3.2Å; D181-G254 PolarHBondContact OD1-N 3.03Å; D181-S255 VanDerWaalsContact CG-OG 3.23Å; D181-S255 WeakPolarHBondContact OD1-CB 3.16Å; D181-S255 PolarHBondContact OD1-N 3.02Å; D181-S255 PolarHBondContact OD1-OG 2.72Å; D181-S255 PolarHBondContact OD2-OG 3.06Å
182	Q	95.8	Very high	88.1	Confident	99 Å²	99	74.5 Å²	74.5	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.9	-179.9	59	29.7	0	0	111.6	G178 L180 L184 L185 E186	G178-Q182 PolarHBondContact O-N 3.15Å; L180-Q182 PolarHBondContact O-N 3.27Å; Q182-L184 PolarHBondContact O-N 3.24Å; Q182-L185 PolarHBondContact O-N 3.01Å; Q182-E186 PolarHBondContact NE2-OE1 2.99Å; Q182-E186 WeakPolarHBondContact O-CG 3.42Å; Q182-E186 PolarHBondContact O-N 3.32Å
183	K	95.9	Very high	89.6	Confident	146 Å²	146	75.8 Å²	75.8	64%	0.635	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-39.7	178.8	-175.3	179	-179.9	-179.8	0	112.9	T179 L180 D181 D187	T179-K183 WeakPolarHBondContact O-CB 3.05Å; T179-K183 PolarHBondContact O-N 3.15Å; T179-K183 VanDerWaalsContact O-N 3.1Å; L180-K183 PolarHBondContact O-N 2.99Å; D181-K183 PolarHBondContact O-N 3.17Å; K183-D187 WeakPolarHBondContact O-CB 3.36Å; K183-D187 PolarHBondContact O-N 2.78Å
184	L	96.3	Very high	91.1	Very high	9 Å²	9	72.6 Å²	72.6	5%	0.047	38%	0.378	C	S	.	.	H	α-helix	trans	-68.3	-38.4	176.9	-72.3	174.7	0	0	0	111.6	L180 D181 Q182 D187 L188 I249 R302	L180-L184 HydrophobicContact CD1-CD1 4.32Å; L180-L184 HydrophobicContact CD1-CD2 4.48Å; L180-L184 HydrophobicContact CD1-CG 4.05Å; L180-L184 HydrophobicContact CG-CD1 3.97Å; L180-L184 HydrophobicContact CG-CG 4.17Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.18Å; L180-L184 PolarHBondContact O-N 3.04Å; D181-L184 PolarHBondContact O-N 2.88Å; Q182-L184 PolarHBondContact O-N 3.24Å; L184-D187 PolarHBondContact O-N 2.91Å; L184-L188 PolarHBondContact O-N 3.24Å; L184-I249 HydrophobicContact CB-CD1 4.48Å; L184-I249 HydrophobicContact CB-CG1 4.26Å; L184-I249 HydrophobicContact CB-CG2 4.2Å; L184-I249 WeakPolarHBondContact O-CG2 3.37Å; L184-R302 VanDerWaalsContact CD2-CZ 3.46Å
185	L	96.4	Very high	92.4	Very high	42 Å²	42	77.4 Å²	77.4	22%	0.22	40%	0.403	C	S	.	.	H	α-helix	trans	-64.8	-44.4	174.7	-179.5	59.4	0	0	0	111.4	D181 Q182 L188 Q189 I249	D181-L185 PolarHBondContact O-N 2.7Å; Q182-L185 PolarHBondContact O-N 3.01Å; L185-L188 PolarHBondContact O-N 2.83Å; L185-Q189 WeakPolarHBondContact O-CG 3.45Å; L185-Q189 PolarHBondContact O-N 3.2Å; L185-I249 HydrophobicContact CB-CG2 4.45Å
186	E	95.9	Very high	93.2	Very high	85 Å²	85	77.4 Å²	77.4	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-40.1	174.7	-74.6	175.1	-157.4	0	0	113.2	Q182 L188 Q189 K190	Q182-E186 PolarHBondContact NE2-OE1 2.99Å; Q182-E186 WeakPolarHBondContact O-CG 3.42Å; Q182-E186 PolarHBondContact O-N 3.32Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-Q189 PolarHBondContact O-N 3.13Å; E186-K190 WeakPolarHBondContact O-CG 3.4Å; E186-K190 PolarHBondContact O-N 3.15Å
187	D	94.6	Very high	94	Very high	60 Å²	60	73 Å²	73	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-40.8	175.1	-170.5	59	0	0	0	111.4	K183 L184 Q189 K190 K191	K183-D187 WeakPolarHBondContact O-CB 3.36Å; K183-D187 PolarHBondContact O-N 2.78Å; L184-D187 PolarHBondContact O-N 2.91Å; D187-Q189 PolarHBondContact O-N 3.35Å; D187-K190 PolarHBondContact O-N 3.28Å; D187-K191 WeakPolarHBondContact O-CG 3.13Å; D187-K191 PolarHBondContact O-N 3.47Å; D187-K191 WeakPolarHBondContact OD2-CE 3.5Å
188	L	94.2	Very high	94.2	Very high	5 Å²	5	73.1 Å²	73.1	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-39.7	174	-176.8	62	0	0	0	112.4	L184 L185 E186 K191 K192 I249 E250	L184-L188 PolarHBondContact O-N 3.24Å; L185-L188 PolarHBondContact O-N 2.83Å; E186-L188 VanDerWaalsContact C-N 3.34Å; L188-K191 PolarHBondContact O-N 3.09Å; L188-K192 WeakPolarHBondContact O-CG 3.42Å; L188-K192 PolarHBondContact O-N 2.77Å; L188-K192 VanDerWaalsContact O-N 3.14Å; L188-I249 HydrophobicContact CB-CG2 4.03Å; L188-I249 HydrophobicContact CD2-CB 4.33Å; L188-I249 HydrophobicContact CD2-CG2 3.75Å; L188-E250 HydrophobicContact CD2-CG 3.55Å
189	Q	94.3	Very high	94.3	Very high	94 Å²	94	77.3 Å²	77.3	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-68.7	-34.5	174.5	-59.7	-58.2	-16.4	0	0	112.4	L185 E186 D187 K192 N193	L185-Q189 WeakPolarHBondContact O-CG 3.45Å; L185-Q189 PolarHBondContact O-N 3.2Å; E186-Q189 PolarHBondContact O-N 3.13Å; D187-Q189 PolarHBondContact O-N 3.35Å; Q189-K192 PolarHBondContact O-N 3.41Å; Q189-N193 PolarHBondContact O-ND2 3.25Å
190	K	94.2	Very high	94.2	Very high	134 Å²	134	74.5 Å²	74.5	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-64.9	-44.8	172.7	-73.6	162.5	-178.1	158.8	0	111.2	E186 D187 K192 N193 D194	E186-K190 WeakPolarHBondContact O-CG 3.4Å; E186-K190 PolarHBondContact O-N 3.15Å; D187-K190 PolarHBondContact O-N 3.28Å; K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 3.12Å; K190-N193 PolarHBondContact O-N 3.3Å; K190-D194 PolarHBondContact O-N 2.79Å
191	K	92.9	Very high	94.1	Very high	21 Å²	21	74.4 Å²	74.4	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-39.7	175.3	-74.8	173.8	-174.7	-69.2	0	112.9	D187 L188 N193 D194 Y197 R280 E282	D187-K191 WeakPolarHBondContact O-CG 3.13Å; D187-K191 PolarHBondContact O-N 3.47Å; D187-K191 WeakPolarHBondContact OD2-CE 3.5Å; L188-K191 PolarHBondContact O-N 3.09Å; K191-N193 PolarHBondContact O-N 2.85Å; K191-D194 PolarHBondContact O-N 3.48Å; K191-Y197 HydrophobicContact CB-CD1 4.08Å; K191-Y197 HydrophobicContact CB-CD2 4.08Å; K191-Y197 HydrophobicContact CB-CE1 4.35Å; K191-Y197 HydrophobicContact CB-CE2 4.33Å; K191-Y197 HydrophobicContact CB-CG 3.95Å; K191-Y197 HydrophobicContact CD-CD2 4.41Å; K191-Y197 HydrophobicContact CD-CE2 4.35Å; K191-Y197 HydrophobicContact CG-CD2 4.49Å; K191-Y197 WeakPolarHBondContact O-CB 3.41Å; K191-Y197 WeakPolarHBondContact O-CD1 3.35Å; K191-R280 PolarHBondContact NZ-O 3.18Å; K191-E282 WeakPolarHBondContact CE-OE1 3.25Å; K191-E282 VanDerWaalsContact NZ-CG 3.31Å; K191-E282 IonicContact NZ-OE1 2.81Å; K191-E282 PolarHBondContact NZ-OE1 3.34Å
192	K	91.2	Very high	94	Very high	82 Å²	82	78.8 Å²	78.8	36%	0.357	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.5	176	-72.4	176.8	-177	-179.9	0	113.8	L188 Q189 K190 Y197 E250	L188-K192 WeakPolarHBondContact O-CG 3.42Å; L188-K192 PolarHBondContact O-N 2.77Å; L188-K192 VanDerWaalsContact O-N 3.14Å; Q189-K192 PolarHBondContact O-N 3.41Å; K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 3.12Å; K192-Y197 HydrophobicContact CG-CE1 4.46Å; K192-E250 IonicContact NZ-OE1 3.37Å; K192-E250 PolarHBondContact NZ-OE1 3.11Å
193	N	93.4	Very high	93.6	Very high	134 Å²	134	78.2 Å²	78.2	72%	0.717	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.5	174.3	-60.5	-65.1	0	0	0	114.6	Q189 K190 K191	Q189-N193 PolarHBondContact O-ND2 3.25Å; K190-N193 PolarHBondContact O-N 3.3Å; K191-N193 PolarHBondContact O-N 2.85Å
194	D	94.1	Very high	93.4	Very high	46 Å²	46	71.4 Å²	71.4	25%	0.246	34%	0.336	C	S	.	.			trans	-82.5	121.9	175.5	-175.6	-26.7	0	0	0	109.9	K190 K191 R196 Y197 I198	K190-D194 PolarHBondContact O-N 2.79Å; K191-D194 PolarHBondContact O-N 3.48Å; D194-R196 PolarHBondContact O-N 3.13Å; D194-R196 VanDerWaalsContact O-N 3.14Å; D194-R196 WeakPolarHBondContact OD1-CB 3.16Å; D194-R196 PolarHBondContact OD1-N 3.36Å; D194-R196 IonicContact OD1-NE 3.22Å; D194-R196 PolarHBondContact OD1-NE 2.74Å; D194-R196 IonicContact OD2-CZ 3.4Å; D194-R196 IonicContact OD2-NE 3.26Å; D194-R196 PolarHBondContact OD2-NE 2.68Å; D194-R196 IonicContact OD2-NH2 2.7Å; D194-R196 PolarHBondContact OD2-NH2 2.69Å; D194-Y197 WeakPolarHBondContact O-CB 3.14Å; D194-Y197 PolarHBondContact O-N 3Å; D194-I198 WeakPolarHBondContact O-CG1 3.12Å; D194-I198 PolarHBondContact O-N 2.69Å
195	L	93.6	Very high	93.2	Very high	143 Å²	143	75.4 Å²	75.4	75%	0.749	36%	0.355	S	S	*	.	H	α-helix	trans	-52.2	-36.4	179.2	-67.4	173.1	0	0	0	113.2	I198 E199	L195-I198 PolarHBondContact O-N 3.14Å; L195-E199 PolarHBondContact O-N 3.45Å
196	R	93.3	Very high	92.9	Very high	150 Å²	150	81 Å²	81	57%	0.566	38%	0.378	S	S	*	.	H	α-helix	trans	-69.7	-36.9	179.4	-57.2	173	-63	159.6	6.8	111.7	D194 M200 A281	D194-R196 PolarHBondContact O-N 3.13Å; D194-R196 VanDerWaalsContact O-N 3.14Å; D194-R196 WeakPolarHBondContact OD1-CB 3.16Å; D194-R196 PolarHBondContact OD1-N 3.36Å; D194-R196 IonicContact OD1-NE 3.22Å; D194-R196 PolarHBondContact OD1-NE 2.74Å; D194-R196 IonicContact OD2-CZ 3.4Å; D194-R196 IonicContact OD2-NE 3.26Å; D194-R196 PolarHBondContact OD2-NE 2.68Å; D194-R196 IonicContact OD2-NH2 2.7Å; D194-R196 PolarHBondContact OD2-NH2 2.69Å; R196-M200 WeakPolarHBondContact O-CG 3.33Å; R196-M200 PolarHBondContact O-N 2.9Å; R196-A281 HydrophobicContact CB-CB 4.26Å
197	Y	94.3	Very high	92.5	Very high	11 Å²	11	78.4 Å²	78.4	4%	0.043	37%	0.366	C	S	.	.	H	α-helix	trans	-72.1	-40.5	175.7	-176	-95.2	0	0	0	110.7	K191 K192 D194 E199 M200 Q201 A281	K191-Y197 HydrophobicContact CB-CD1 4.08Å; K191-Y197 HydrophobicContact CB-CD2 4.08Å; K191-Y197 HydrophobicContact CB-CE1 4.35Å; K191-Y197 HydrophobicContact CB-CE2 4.33Å; K191-Y197 HydrophobicContact CB-CG 3.95Å; K191-Y197 HydrophobicContact CD-CD2 4.41Å; K191-Y197 HydrophobicContact CD-CE2 4.35Å; K191-Y197 HydrophobicContact CG-CD2 4.49Å; K191-Y197 WeakPolarHBondContact O-CB 3.41Å; K191-Y197 WeakPolarHBondContact O-CD1 3.35Å; K192-Y197 HydrophobicContact CG-CE1 4.46Å; D194-Y197 WeakPolarHBondContact O-CB 3.14Å; D194-Y197 PolarHBondContact O-N 3Å; Y197-E199 PolarHBondContact O-N 3.44Å; Y197-M200 PolarHBondContact O-N 3.39Å; Y197-Q201 WeakPolarHBondContact O-CB 3.49Å; Y197-Q201 PolarHBondContact O-N 2.84Å; Y197-A281 HydrophobicContact CD2-CB 4.43Å
198	I	94.1	Very high	92.3	Very high	59 Å²	59	77 Å²	77	30%	0.303	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-45.1	175.5	-65.6	165.3	0	0	0	110.9	D194 L195 Q201 H202	D194-I198 WeakPolarHBondContact O-CG1 3.12Å; D194-I198 PolarHBondContact O-N 2.69Å; L195-I198 PolarHBondContact O-N 3.14Å; I198-Q201 PolarHBondContact O-N 3.27Å; I198-H202 PolarHBondContact O-N 3.42Å; I198-H202 VanDerWaalsContact O-N 3.12Å; I198-H202 PolarHBondContact O-ND1 2.97Å
199	E	92.1	Very high	92.3	Very high	142 Å²	142	76.7 Å²	76.7	66%	0.664	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-47.5	175.9	-175.2	-177.4	-177.6	0	0	111.9	L195 Y197 Q201 H202 F203	L195-E199 PolarHBondContact O-N 3.45Å; Y197-E199 PolarHBondContact O-N 3.44Å; E199-Q201 VanDerWaalsContact C-N 3.31Å; E199-Q201 PolarHBondContact O-N 2.91Å; E199-H202 PolarHBondContact O-N 3.33Å; E199-F203 PolarHBondContact O-N 2.98Å
200	M	91.8	Very high	92.3	Very high	50 Å²	50	74.9 Å²	74.9	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-34.9	176.7	-71	-68.6	171.1	0	0	112.5	R196 Y197 F203 R204 E279	R196-M200 WeakPolarHBondContact O-CG 3.33Å; R196-M200 PolarHBondContact O-N 2.9Å; Y197-M200 PolarHBondContact O-N 3.39Å; M200-F203 WeakPolarHBondContact O-CB 3.22Å; M200-F203 PolarHBondContact O-N 3.04Å; M200-F203 VanDerWaalsContact O-N 3.15Å; M200-R204 WeakPolarHBondContact O-CG 3.38Å; M200-R204 PolarHBondContact O-N 3.2Å; M200-E279 WeakPolarHBondContact CB-O 3.48Å; M200-E279 HydrophobicContact SD-CG 4.23Å
201	Q	92.8	Very high	92.3	Very high	34 Å²	34	72 Å²	72	16%	0.159	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-43.9	176.9	-166.4	68	7.2	0	0	111.9	Y197 I198 E199 F203 R204 E205 Y210	Y197-Q201 WeakPolarHBondContact O-CB 3.49Å; Y197-Q201 PolarHBondContact O-N 2.84Å; I198-Q201 PolarHBondContact O-N 3.27Å; E199-Q201 VanDerWaalsContact C-N 3.31Å; E199-Q201 PolarHBondContact O-N 2.91Å; Q201-F203 PolarHBondContact O-N 2.87Å; Q201-R204 PolarHBondContact O-N 3.35Å; Q201-E205 WeakPolarHBondContact O-CG 3.49Å; Q201-E205 PolarHBondContact O-N 2.94Å; Q201-Y210 PolarHBondContact NE2-OH 2.86Å
202	H	92.1	Very high	92.4	Very high	108 Å²	108	72.7 Å²	72.7	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-23.7	174.3	-73.7	82.5	0	0	0	113.1	I198 E199 K206	I198-H202 PolarHBondContact O-N 3.42Å; I198-H202 VanDerWaalsContact O-N 3.12Å; I198-H202 PolarHBondContact O-ND1 2.97Å; E199-H202 PolarHBondContact O-N 3.33Å; H202-K206 WeakPolarHBondContact O-CE 3.38Å
203	F	88.1	Confident	92.6	Very high	88 Å²	88	70.7 Å²	70.7	39%	0.386	35%	0.353	S	S	.	.	H	α-helix	trans	-75.8	-48.8	169.4	177.6	-84	0	0	0	111.3	E199 M200 Q201 E205 K206 L207	E199-F203 PolarHBondContact O-N 2.98Å; M200-F203 WeakPolarHBondContact O-CB 3.22Å; M200-F203 PolarHBondContact O-N 3.04Å; M200-F203 VanDerWaalsContact O-N 3.15Å; Q201-F203 PolarHBondContact O-N 2.87Å; F203-E205 VanDerWaalsContact C-N 3.26Å; F203-E205 PolarHBondContact O-N 3.33Å; F203-K206 WeakPolarHBondContact O-CB 3.1Å; F203-K206 PolarHBondContact O-N 2.81Å; F203-K206 VanDerWaalsContact O-N 3.11Å; F203-L207 HydrophobicContact CE1-CD1 4.32Å
204	R	91.3	Very high	92.8	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-39.2	-179.6	-68.1	170.1	70.8	-165.1	10.9	112	M200 Q201 K206 L207 Y210 D246	M200-R204 WeakPolarHBondContact O-CG 3.38Å; M200-R204 PolarHBondContact O-N 3.2Å; Q201-R204 PolarHBondContact O-N 3.35Å; R204-K206 PolarHBondContact O-N 2.92Å; R204-K206 VanDerWaalsContact O-N 3.15Å; R204-L207 WeakPolarHBondContact O-CB 3.36Å; R204-L207 PolarHBondContact O-N 3.25Å; R204-Y210 HydrophobicContact CB-CD2 4.38Å; R204-Y210 WeakPolarHBondContact O-CB 3.13Å; R204-D246 IonicContact NH2-OD2 2.9Å
205	E	93.3	Very high	92.9	Very high	93 Å²	93	75.2 Å²	75.2	44%	0.435	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.8	178.1	-79.8	174.1	178.7	0	0	114.6	Q201 F203 Y210	Q201-E205 WeakPolarHBondContact O-CG 3.49Å; Q201-E205 PolarHBondContact O-N 2.94Å; F203-E205 VanDerWaalsContact C-N 3.26Å; F203-E205 PolarHBondContact O-N 3.33Å; E205-Y210 HydrophobicContact CB-CD1 4.37Å; E205-Y210 HydrophobicContact CB-CE1 4.38Å; E205-Y210 HydrophobicContact CG-CD1 3.86Å; E205-Y210 HydrophobicContact CG-CD2 4.47Å; E205-Y210 HydrophobicContact CG-CE1 3.41Å; E205-Y210 VanDerWaalsContact CG-CE1 3.41Å; E205-Y210 HydrophobicContact CG-CE2 4.09Å; E205-Y210 HydrophobicContact CG-CG 4.35Å; E205-Y210 PolarHBondContact OE1-OH 3.06Å
206	K	88.8	Confident	93.1	Very high	161 Å²	161	68.6 Å²	68.6	70%	0.7	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.6	176.5	-61.2	172.8	-174.7	177.3	0	113.2	H202 F203 R204	H202-K206 WeakPolarHBondContact O-CE 3.38Å; F203-K206 WeakPolarHBondContact O-CB 3.1Å; F203-K206 PolarHBondContact O-N 2.81Å; F203-K206 VanDerWaalsContact O-N 3.11Å; R204-K206 PolarHBondContact O-N 2.92Å; R204-K206 VanDerWaalsContact O-N 3.15Å
207	L	88.3	Confident	93.3	Very high	30 Å²	30	61.8 Å²	61.8	16%	0.157	31%	0.306	C	S	.	.	S	Bend	trans	-82.2	134.4	-177.8	-60.3	175.2	0	0	0	110.5	F203 R204 S209 Y210 Q239	F203-L207 HydrophobicContact CE1-CD1 4.32Å; R204-L207 WeakPolarHBondContact O-CB 3.36Å; R204-L207 PolarHBondContact O-N 3.25Å; L207-S209 PolarHBondContact O-N 3.03Å; L207-S209 VanDerWaalsContact O-N 3.11Å; L207-Y210 WeakPolarHBondContact O-CB 3Å; L207-Y210 PolarHBondContact O-N 3.42Å; L207-Q239 HydrophobicContact CD1-CG 3.71Å
208	P	90.2	Very high	93.4	Very high	29 Å²	29	65 Å²	65	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-52.5	-36.4	179.5	-30.8	35.9	0	0	0	114.8	Y210 G211 C234 I386 P387 F389	P208-Y210 PolarHBondContact O-N 3.28Å; P208-G211 PolarHBondContact O-N 3.46Å; P208-C234 HydrophobicContact CB-CB 4.35Å; P208-C234 HydrophobicContact CG-CB 4.42Å; P208-I386 HydrophobicContact CB-CG2 3.99Å; P208-P387 HydrophobicContact CB-CG 4.37Å; P208-P387 WeakPolarHBondContact CB-O 3.46Å; P208-P387 WeakPolarHBondContact CG-O 3.34Å; P208-F389 HydrophobicContact CG-CB 3.5Å; P208-F389 VanDerWaalsContact CG-CB 3.5Å
209	S	93.3	Very high	93.6	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-30.3	175.6	47	0	0	0	0	113.9	L207 M212 Q213 C234 G235 F243	L207-S209 PolarHBondContact O-N 3.03Å; L207-S209 VanDerWaalsContact O-N 3.11Å; S209-M212 CarbonylContact O-C 3.37Å; S209-M212 PolarHBondContact O-N 2.79Å; S209-Q213 PolarHBondContact O-N 3.27Å; S209-Q213 VanDerWaalsContact O-N 3.15Å; S209-C234 WeakPolarHBondContact CB-O 3.37Å; S209-C234 PolarHBondContact N-O 2.94Å; S209-C234 PolarHBondContact OG-O 3.34Å; S209-G235 WeakPolarHBondContact OG-CA 3.1Å; S209-F243 VanDerWaalsContact O-CE2 3.27Å; S209-F243 WeakPolarHBondContact O-CE2 3.2Å
210	Y	94.9	Very high	93.9	Very high	55 Å²	55	57.4 Å²	57.4	22%	0.216	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-40.7	178.3	-166.3	-86.8	0	0	0	112.4	Q201 R204 E205 L207 P208 M212 Q213 F243	Q201-Y210 PolarHBondContact NE2-OH 2.86Å; R204-Y210 HydrophobicContact CB-CD2 4.38Å; R204-Y210 WeakPolarHBondContact O-CB 3.13Å; E205-Y210 HydrophobicContact CB-CD1 4.37Å; E205-Y210 HydrophobicContact CB-CE1 4.38Å; E205-Y210 HydrophobicContact CG-CD1 3.86Å; E205-Y210 HydrophobicContact CG-CD2 4.47Å; E205-Y210 HydrophobicContact CG-CE1 3.41Å; E205-Y210 VanDerWaalsContact CG-CE1 3.41Å; E205-Y210 HydrophobicContact CG-CE2 4.09Å; E205-Y210 HydrophobicContact CG-CG 4.35Å; E205-Y210 PolarHBondContact OE1-OH 3.06Å; L207-Y210 WeakPolarHBondContact O-CB 3Å; L207-Y210 PolarHBondContact O-N 3.42Å; P208-Y210 PolarHBondContact O-N 3.28Å; Y210-M212 PolarHBondContact O-N 3.28Å; Y210-M212 VanDerWaalsContact O-N 3.15Å; Y210-Q213 VanDerWaalsContact O-CB 3.28Å; Y210-Q213 WeakPolarHBondContact O-CB 3.37Å; Y210-Q213 PolarHBondContact O-N 2.92Å; Y210-F243 AromaticContact CD2-CE1 3.95Å; Y210-F243 HydrophobicContact CD2-CE1 3.95Å; Y210-F243 HydrophobicContact CD2-CZ 4.16Å
211	G	94.1	Very high	94.1	Very high	75 Å²	75	57.1 Å²	57.1	77%	0.773	29%	0.288	S	S	*	.	H	α-helix	trans	-58.7	-27.2	173.9	0	0	0	0	0	113.3	P208	P208-G211 PolarHBondContact O-N 3.46Å
212	M	95.4	Very high	94.3	Very high	34 Å²	34	63.1 Å²	63.1	17%	0.167	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.5	178.9	-57.8	-173	78.6	0	0	113.9	S209 Y210 K214 E215 L216 I384 I386	S209-M212 CarbonylContact O-C 3.37Å; S209-M212 PolarHBondContact O-N 2.79Å; Y210-M212 PolarHBondContact O-N 3.28Å; Y210-M212 VanDerWaalsContact O-N 3.15Å; M212-K214 VanDerWaalsContact C-N 3.31Å; M212-K214 PolarHBondContact O-N 2.81Å; M212-K214 VanDerWaalsContact O-N 3.15Å; M212-E215 WeakPolarHBondContact CE-OE2 3.19Å; M212-E215 WeakPolarHBondContact O-CB 3.31Å; M212-E215 PolarHBondContact O-N 2.83Å; M212-L216 HydrophobicContact CB-CD1 4.07Å; M212-L216 HydrophobicContact CB-CG 4.26Å; M212-L216 WeakPolarHBondContact O-CG 3.08Å; M212-L216 PolarHBondContact O-N 3.44Å; M212-I384 HydrophobicContact CE-CD1 3.96Å; M212-I384 HydrophobicContact CE-CG1 4.01Å; M212-I386 HydrophobicContact SD-CB 4.41Å; M212-I386 HydrophobicContact SD-CG1 4.35Å; M212-I386 HydrophobicContact SD-CG2 4.36Å
213	Q	96.4	Very high	94.6	Very high	41 Å²	41	61.2 Å²	61.2	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-48	-49.6	-172.7	174.3	179.3	14.9	0	0	113.1	S209 Y210 L216 V217 F243	S209-Q213 PolarHBondContact O-N 3.27Å; S209-Q213 VanDerWaalsContact O-N 3.15Å; Y210-Q213 VanDerWaalsContact O-CB 3.28Å; Y210-Q213 WeakPolarHBondContact O-CB 3.37Å; Y210-Q213 PolarHBondContact O-N 2.92Å; Q213-L216 PolarHBondContact O-N 2.92Å; Q213-V217 PolarHBondContact O-N 2.92Å; Q213-V217 VanDerWaalsContact O-N 3.13Å; Q213-F243 HydrophobicContact CB-CD1 4.28Å; Q213-F243 HydrophobicContact CB-CD2 4.16Å; Q213-F243 HydrophobicContact CB-CE1 4.13Å; Q213-F243 HydrophobicContact CB-CE2 4.01Å; Q213-F243 HydrophobicContact CB-CG 4.3Å; Q213-F243 HydrophobicContact CB-CZ 3.99Å; Q213-F243 HydrophobicContact CG-CB 4.11Å; Q213-F243 HydrophobicContact CG-CD1 3.6Å; Q213-F243 HydrophobicContact CG-CD2 4Å; Q213-F243 HydrophobicContact CG-CE1 3.9Å; Q213-F243 HydrophobicContact CG-CE2 4.28Å; Q213-F243 HydrophobicContact CG-CG 3.65Å; Q213-F243 HydrophobicContact CG-CZ 4.23Å
214	K	95.6	Very high	95	Very high	166 Å²	166	60.2 Å²	60.2	72%	0.722	30%	0.301	S	S	*	.	H	α-helix	trans	-67.1	-36.7	-177.6	-70.7	-178.1	179.2	175.8	0	112.6	M212 V217 N218	M212-K214 VanDerWaalsContact C-N 3.31Å; M212-K214 PolarHBondContact O-N 2.81Å; M212-K214 VanDerWaalsContact O-N 3.15Å; K214-V217 WeakPolarHBondContact O-CG2 3.35Å; K214-N218 VanDerWaalsContact O-CB 3.25Å; K214-N218 WeakPolarHBondContact O-CB 3.3Å; K214-N218 PolarHBondContact O-N 2.74Å; K214-N218 VanDerWaalsContact O-N 3.15Å; K214-N218 PolarHBondContact O-ND2 2.93Å
215	E	97.3	Very high	95.4	Very high	109 Å²	109	60.8 Å²	60.8	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-45.5	178.2	-166.9	-178.6	168.8	0	0	110.7	M212 N218 L219 I384	M212-E215 WeakPolarHBondContact CE-OE2 3.19Å; M212-E215 WeakPolarHBondContact O-CB 3.31Å; M212-E215 PolarHBondContact O-N 2.83Å; E215-N218 PolarHBondContact O-N 2.63Å; E215-L219 WeakPolarHBondContact O-CB 3.39Å; E215-L219 PolarHBondContact O-N 3.26Å; E215-I384 HydrophobicContact CB-CD1 4.36Å; E215-I384 HydrophobicContact CG-CD1 3.77Å
216	L	97.3	Very high	95.6	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-57.1	-52.9	177.2	-69.2	163.6	0	0	0	112	M212 Q213 N218 L219 I220 I228 F243 I384 I386	M212-L216 HydrophobicContact CB-CD1 4.07Å; M212-L216 HydrophobicContact CB-CG 4.26Å; M212-L216 WeakPolarHBondContact O-CG 3.08Å; M212-L216 PolarHBondContact O-N 3.44Å; Q213-L216 PolarHBondContact O-N 2.92Å; L216-N218 PolarHBondContact O-N 3.48Å; L216-L219 PolarHBondContact O-N 3.26Å; L216-I220 WeakPolarHBondContact O-CD1 3.43Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 3.37Å; L216-I220 VanDerWaalsContact O-N 3.09Å; L216-I228 HydrophobicContact CD2-CD1 4.12Å; L216-I228 HydrophobicContact CD2-CG1 4.32Å; L216-I228 HydrophobicContact CD2-CG2 4.21Å; L216-F243 HydrophobicContact CD1-CD2 4.22Å; L216-F243 HydrophobicContact CD1-CE2 4.15Å; L216-I384 HydrophobicContact CD2-CD1 4.01Å; L216-I384 HydrophobicContact CD2-CG1 4.49Å; L216-I384 HydrophobicContact CD2-CG2 3.74Å; L216-I384 HydrophobicContact CG-CD1 4.44Å; L216-I386 HydrophobicContact CD1-CD1 3.79Å; L216-I386 HydrophobicContact CD1-CG1 4.45Å; L216-I386 HydrophobicContact CD2-CD1 4Å; L216-I386 HydrophobicContact CD2-CG1 4.24Å
217	V	97.1	Very high	96	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-37.1	-179.7	-59.2	0	0	0	0	112.2	Q213 K214 L219 I220 D221 F243 N247	Q213-V217 PolarHBondContact O-N 2.92Å; Q213-V217 VanDerWaalsContact O-N 3.13Å; K214-V217 WeakPolarHBondContact O-CG2 3.35Å; V217-L219 VanDerWaalsContact C-N 3.3Å; V217-L219 PolarHBondContact O-N 3.28Å; V217-I220 PolarHBondContact O-N 3.01Å; V217-D221 WeakPolarHBondContact O-CB 3.47Å; V217-D221 PolarHBondContact O-N 2.94Å; V217-F243 HydrophobicContact CG1-CB 3.81Å; V217-N247 HydrophobicContact CG1-CB 4.27Å
218	N	97.4	Very high	96.4	Very high	79 Å²	79	47.3 Å²	47.3	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-33.5	176.2	-75.6	-21.5	0	0	0	112.5	K214 E215 L216 K222	K214-N218 VanDerWaalsContact O-CB 3.25Å; K214-N218 WeakPolarHBondContact O-CB 3.3Å; K214-N218 PolarHBondContact O-N 2.74Å; K214-N218 VanDerWaalsContact O-N 3.15Å; K214-N218 PolarHBondContact O-ND2 2.93Å; E215-N218 PolarHBondContact O-N 2.63Å; L216-N218 PolarHBondContact O-N 3.48Å; N218-K222 WeakPolarHBondContact O-CB 3.5Å; N218-K222 WeakPolarHBondContact O-CD 3.26Å; N218-K222 VanDerWaalsContact O-CG 3.25Å; N218-K222 WeakPolarHBondContact O-CG 3.45Å; N218-K222 PolarHBondContact O-N 2.83Å
219	L	97.9	Very high	96.6	Very high	36 Å²	36	46 Å²	46	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-71.8	-44.5	177.7	-168	66.9	0	0	0	111.1	E215 L216 V217 K222 H223 T226 P382 I384	E215-L219 WeakPolarHBondContact O-CB 3.39Å; E215-L219 PolarHBondContact O-N 3.26Å; L216-L219 PolarHBondContact O-N 3.26Å; V217-L219 VanDerWaalsContact C-N 3.3Å; V217-L219 PolarHBondContact O-N 3.28Å; L219-K222 PolarHBondContact O-N 2.85Å; L219-H223 PolarHBondContact O-N 3.23Å; L219-H223 PolarHBondContact O-ND1 3.07Å; L219-T226 HydrophobicContact CD2-CG2 3.56Å; L219-T226 HydrophobicContact CG-CG2 3.91Å; L219-P382 HydrophobicContact CD1-CB 3.95Å; L219-P382 HydrophobicContact CD2-CB 4.44Å; L219-P382 HydrophobicContact CG-CB 4.39Å; L219-I384 HydrophobicContact CD2-CB 3.73Å; L219-I384 HydrophobicContact CD2-CD1 4.26Å; L219-I384 HydrophobicContact CD2-CG2 3.8Å
220	I	97.9	Very high	96.3	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-41.3	177.5	-65	161.7	0	0	0	111.3	L216 V217 K222 I228 V240 I244 K361 I363	L216-I220 WeakPolarHBondContact O-CD1 3.43Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 3.37Å; L216-I220 VanDerWaalsContact O-N 3.09Å; V217-I220 PolarHBondContact O-N 3.01Å; I220-K222 VanDerWaalsContact C-N 3.33Å; I220-K222 PolarHBondContact O-N 2.84Å; I220-I228 HydrophobicContact CD1-CD1 4.41Å; I220-V240 HydrophobicContact CD1-CG1 4.33Å; I220-I244 HydrophobicContact CD1-CD1 4.09Å; I220-I244 HydrophobicContact CD1-CG1 4.08Å; I220-K361 WeakPolarHBondContact O-CE 3.34Å; I220-K361 PolarHBondContact O-NZ 3.01Å; I220-I363 HydrophobicContact CD1-CG1 4.08Å; I220-I363 HydrophobicContact CG1-CG1 4.04Å; I220-I363 HydrophobicContact CG2-CD1 4.09Å; I220-I363 HydrophobicContact CG2-CG1 4.17Å
221	D	95.8	Very high	95.5	Very high	43 Å²	43	45.9 Å²	45.9	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-42.3	175.9	-85.3	-15	0	0	0	112.4	V217 R251 K361	V217-D221 WeakPolarHBondContact O-CB 3.47Å; V217-D221 PolarHBondContact O-N 2.94Å; D221-R251 IonicContact OD1-NH1 2.68Å; D221-R251 IonicContact OD2-CZ 3.54Å; D221-R251 IonicContact OD2-NH1 3.21Å; D221-R251 PolarHBondContact OD2-NH1 3.04Å; D221-R251 IonicContact OD2-NH2 3.04Å; D221-R251 PolarHBondContact OD2-NH2 2.87Å; D221-K361 PolarHBondContact O-NZ 3.45Å
222	K	97.3	Very high	94.7	Very high	161 Å²	161	43.5 Å²	43.5	70%	0.7	21%	0.208	S	C	*	.	H	α-helix	trans	-76.4	-28.1	-174.5	-75.2	175.1	-179	-179.5	0	114.3	N218 L219 I220	N218-K222 WeakPolarHBondContact O-CB 3.5Å; N218-K222 WeakPolarHBondContact O-CD 3.26Å; N218-K222 VanDerWaalsContact O-CG 3.25Å; N218-K222 WeakPolarHBondContact O-CG 3.45Å; N218-K222 PolarHBondContact O-N 2.83Å; L219-K222 PolarHBondContact O-N 2.85Å; I220-K222 VanDerWaalsContact C-N 3.33Å; I220-K222 PolarHBondContact O-N 2.84Å
223	H	98.1	Very high	93.8	Very high	68 Å²	68	43.7 Å²	43.7	32%	0.315	22%	0.218	S	C	.	.			trans	-122	151.3	-171	-52.7	97.6	0	0	0	111.8	L219 K361 P382	L219-H223 PolarHBondContact O-N 3.23Å; L219-H223 PolarHBondContact O-ND1 3.07Å; H223-K361 WeakPolarHBondContact O-CD 3.43Å; H223-K361 PolarHBondContact O-NZ 3.1Å; H223-P382 HydrophobicContact CB-CG 4.29Å
224	Q	97.6	Very high	93.2	Very high	66 Å²	66	41.7 Å²	41.7	31%	0.308	21%	0.209	S	C	.	.	S	Bend	trans	-75.9	-33.6	178.7	-156.7	-170.8	5.7	0	0	111.7	L354 R357 L360 V362	Q224-L354 HydrophobicContact CG-CD2 3.76Å; Q224-L354 VanDerWaalsContact NE2-CD2 3.32Å; Q224-L354 PolarHBondContact NE2-O 3.01Å; Q224-R357 PolarHBondContact NE2-O 2.73Å; Q224-L360 VanDerWaalsContact CG-O 3.27Å; Q224-L360 WeakPolarHBondContact CG-O 3.48Å; Q224-V362 PolarHBondContact O-N 3.01Å
225	V	98.4	Very high	92.9	Very high	14 Å²	14	34.4 Å²	34.4	9%	0.085	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.8	177.2	-167.2	0	0	0	0	109.6	L354 V362 L364 F378 C381	V225-L354 HydrophobicContact CG2-CD1 3.4Å; V225-L354 VanDerWaalsContact CG2-CD1 3.4Å; V225-V362 CarbonylContact C-O 3.56Å; V225-V362 VanDerWaalsContact CA-O 3.31Å; V225-V362 WeakPolarHBondContact CA-O 3.32Å; V225-V362 HydrophobicContact CG1-CB 4.26Å; V225-V362 HydrophobicContact CG1-CG1 4.19Å; V225-V362 HydrophobicContact CG2-CB 4.33Å; V225-L364 HydrophobicContact CG1-CD1 4Å; V225-L364 HydrophobicContact CG1-CG 4.37Å; V225-F378 HydrophobicContact CG1-CB 4.11Å; V225-F378 HydrophobicContact CG1-CD1 3.93Å; V225-F378 HydrophobicContact CG1-CG 4.1Å; V225-F378 HydrophobicContact CG2-CD1 4.24Å; V225-C381 HydrophobicContact CB-CB 3.98Å; V225-C381 HydrophobicContact CG1-CB 4.2Å
226	T	98.4	Very high	92.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	136.4	174.7	-62.4	0	0	0	0	110.8	L219 I228 V362 I363 L364 P382	L219-T226 HydrophobicContact CD2-CG2 3.56Å; L219-T226 HydrophobicContact CG-CG2 3.91Å; T226-I228 HydrophobicContact CG2-CG1 4.37Å; T226-V362 PolarHBondContact N-O 3.48Å; T226-I363 WeakPolarHBondContact O-CA 3.37Å; T226-L364 PolarHBondContact O-N 2.86Å; T226-P382 WeakPolarHBondContact CA-O 3.48Å
227	V	98.1	Very high	92.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.9	172.5	177	0	0	0	0	109.8	L364 A371 F374 P382 M383 I384	V227-L364 CarbonylContact C-O 3.55Å; V227-L364 WeakPolarHBondContact CA-O 3.36Å; V227-L364 HydrophobicContact CG2-CB 4.11Å; V227-L364 HydrophobicContact CG2-CD1 4Å; V227-A371 HydrophobicContact CG1-CB 3.94Å; V227-F374 HydrophobicContact CG2-CB 4.29Å; V227-P382 PolarHBondContact N-O 3Å; V227-M383 HydrophobicContact CB-CB 4.14Å; V227-M383 HydrophobicContact CB-CG 4.13Å; V227-M383 HydrophobicContact CG1-CG 3.99Å; V227-M383 HydrophobicContact CG1-SD 4.11Å; V227-M383 CarbonylContact O-C 3.55Å; V227-M383 VanDerWaalsContact O-CA 3.3Å; V227-M383 WeakPolarHBondContact O-CA 3.42Å; V227-I384 PolarHBondContact O-N 2.99Å
228	I	96.3	Very high	92.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	107.4	173.5	-54.6	175.2	0	0	0	108.1	L216 I220 T226 K236 V240 I363 L364 M365 S366 I384 I386	L216-I228 HydrophobicContact CD2-CD1 4.12Å; L216-I228 HydrophobicContact CD2-CG1 4.32Å; L216-I228 HydrophobicContact CD2-CG2 4.21Å; I220-I228 HydrophobicContact CD1-CD1 4.41Å; T226-I228 HydrophobicContact CG2-CG1 4.37Å; I228-K236 HydrophobicContact CG2-CD 3.97Å; I228-K236 HydrophobicContact CG2-CG 4Å; I228-V240 HydrophobicContact CD1-CB 4.5Å; I228-V240 HydrophobicContact CD1-CG1 3.74Å; I228-V240 HydrophobicContact CD1-CG2 3.92Å; I228-I363 HydrophobicContact CD1-CG2 3.39Å; I228-I363 HydrophobicContact CG1-CG2 3.96Å; I228-L364 PolarHBondContact N-O 2.8Å; I228-M365 HydrophobicContact CB-CG 4.26Å; I228-M365 HydrophobicContact CD1-CG 4.48Å; I228-M365 HydrophobicContact CD1-SD 4.42Å; I228-M365 WeakPolarHBondContact O-CA 3.36Å; I228-S366 PolarHBondContact O-N 2.88Å; I228-I384 HydrophobicContact CB-CG2 4.36Å; I228-I384 HydrophobicContact CG1-CG2 3.96Å; I228-I384 HydrophobicContact CG2-CG2 4.37Å; I228-I386 HydrophobicContact CG2-CD1 3.65Å; I228-I386 HydrophobicContact CG2-CG1 3.98Å
229	S	93.6	Very high	92.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	157.8	170.2	70.8	0	0	0	0	110.6	S366 I384 H385 I386	S229-S366 WeakPolarHBondContact CA-O 3.38Å; S229-I384 PolarHBondContact N-O 3.01Å; S229-I384 PolarHBondContact OG-O 2.84Å; S229-I384 VanDerWaalsContact OG-O 3.11Å; S229-H385 WeakPolarHBondContact OG-CA 3.4Å; S229-H385 WeakPolarHBondContact OG-CB 3.35Å; S229-H385 PolarHBondContact OG-ND1 3.34Å; S229-I386 PolarHBondContact O-N 3.42Å
230	G	87.9	Confident	92.1	Very high	2 Å²	2	26 Å²	26	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	149.2	170.4	0	0	0	0	0	111.1	K236 S366 A367 I386	G230-K236 PolarHBondContact O-NZ 3.49Å; G230-S366 PolarHBondContact N-O 2.71Å; G230-A367 VanDerWaalsContact O-CA 3.32Å; G230-A367 WeakPolarHBondContact O-CA 3.21Å; G230-I386 WeakPolarHBondContact CA-O 3.45Å
231	E	78.7	Confident	92.1	Very high	52 Å²	52	25.8 Å²	25.8	24%	0.243	14%	0.139	C	C	.	.			trans	-67.8	170.3	-172.2	-56.6	-162.3	149	0	0	113.2	G233 C234 K236 K597	E231-G233 PolarHBondContact O-N 3.44Å; E231-C234 PolarHBondContact O-N 3.48Å; E231-C234 PolarHBondContact O-SG 3.35Å; E231-K236 PolarHBondContact O-NZ 3.4Å; E231-K597 VanDerWaalsContact OE1-CE 3.23Å; E231-K597 WeakPolarHBondContact OE1-CE 3.47Å; E231-K597 IonicContact OE1-NZ 2.64Å; E231-K597 PolarHBondContact OE1-NZ 2.72Å
232	T	76.9	Confident	92.2	Very high	25 Å²	25	23.7 Å²	23.7	15%	0.153	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	133.5	175.4	-39.9	0	0	0	0	110.5
233	G	75.9	Confident	92.3	Very high	37 Å²	37	16.1 Å²	16.1	38%	0.381	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-11.5	-179.7	0	0	0	0	0	115.6	E231 G235	E231-G233 PolarHBondContact O-N 3.44Å; G233-G235 PolarHBondContact O-N 3.13Å; G233-G235 VanDerWaalsContact O-N 3.17Å
234	C	84.8	Confident	92.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-69	-12.7	178.7	72.5	0	0	0	0	114.9	P208 S209 E231 I386 P387	P208-C234 HydrophobicContact CB-CB 4.35Å; P208-C234 HydrophobicContact CG-CB 4.42Å; S209-C234 WeakPolarHBondContact CB-O 3.37Å; S209-C234 PolarHBondContact N-O 2.94Å; S209-C234 PolarHBondContact OG-O 3.34Å; E231-C234 PolarHBondContact O-N 3.48Å; E231-C234 PolarHBondContact O-SG 3.35Å; C234-I386 HydrophobicContact CB-CB 4.42Å; C234-I386 HydrophobicContact CB-CG2 3.82Å; C234-P387 WeakPolarHBondContact CB-O 3.42Å
235	G	87.6	Confident	92.3	Very high	12 Å²	12	10 Å²	10	12%	0.124	7%	0.066	C	C	.	.	S	Bend	trans	104.1	-1.6	171.1	0	0	0	0	0	117.2	S209 G233 T237 T238 Q239	S209-G235 WeakPolarHBondContact OG-CA 3.1Å; G233-G235 PolarHBondContact O-N 3.13Å; G233-G235 VanDerWaalsContact O-N 3.17Å; G235-T237 PolarHBondContact O-N 3.12Å; G235-T238 PolarHBondContact O-N 2.86Å; G235-T238 PolarHBondContact O-OG1 2.88Å; G235-Q239 WeakPolarHBondContact O-CB 3.45Å; G235-Q239 WeakPolarHBondContact O-CG 3.31Å; G235-Q239 PolarHBondContact O-N 2.74Å
236	K	91.3	Very high	92.3	Very high	9 Å²	9	9.7 Å²	9.7	4%	0.039	6%	0.064	C	C	.	.	H	α-helix	trans	-34.4	-67	-179.2	-71.5	-178.2	-44.6	-66.9	0	114.4	I228 G230 E231 T238 Q239 V240 M365 S366 I386	I228-K236 HydrophobicContact CG2-CD 3.97Å; I228-K236 HydrophobicContact CG2-CG 4Å; G230-K236 PolarHBondContact O-NZ 3.49Å; E231-K236 PolarHBondContact O-NZ 3.4Å; K236-T238 VanDerWaalsContact C-N 3.34Å; K236-T238 PolarHBondContact O-N 2.88Å; K236-Q239 PolarHBondContact O-N 3.4Å; K236-V240 WeakPolarHBondContact O-CB 3.08Å; K236-V240 WeakPolarHBondContact O-CG2 3.4Å; K236-V240 PolarHBondContact O-N 3.29Å; K236-M365 HydrophobicContact CB-CE 4.36Å; K236-M365 HydrophobicContact CB-SD 3.98Å; K236-M365 HydrophobicContact CD-CB 4.44Å; K236-S366 VanDerWaalsContact CE-O 3.25Å; K236-S366 WeakPolarHBondContact CE-O 3.44Å; K236-I386 HydrophobicContact CG-CD1 4Å
237	T	92.2	Very high	92.3	Very high	22 Å²	22	10.9 Å²	10.9	14%	0.135	7%	0.071	C	C	.	.	H	α-helix	trans	-56	-37.9	-173.4	-51.5	0	0	0	0	114.9	G235 V272 Y309 D334	G235-T237 PolarHBondContact O-N 3.12Å; T237-V272 HydrophobicContact CG2-CB 4.37Å; T237-V272 HydrophobicContact CG2-CG1 3.73Å; T237-V272 HydrophobicContact CG2-CG2 3.7Å; T237-Y309 PolarHBondContact O-OH 3Å; T237-D334 WeakPolarHBondContact CB-OD2 3.45Å; T237-D334 WeakPolarHBondContact CG2-OD2 3.33Å; T237-D334 PolarHBondContact OG1-OD2 2.84Å
238	T	93.2	Very high	92.2	Very high	27 Å²	27	13.1 Å²	13.1	17%	0.166	8%	0.079	C	C	.	.	H	α-helix	trans	-93.6	-29.5	-177.9	53.7	0	0	0	0	112.9	G235 K236 Q242 V272 R275 V276	G235-T238 PolarHBondContact O-N 2.86Å; G235-T238 PolarHBondContact O-OG1 2.88Å; K236-T238 VanDerWaalsContact C-N 3.34Å; K236-T238 PolarHBondContact O-N 2.88Å; T238-Q242 WeakPolarHBondContact O-CG 3.36Å; T238-Q242 PolarHBondContact O-NE2 3.41Å; T238-V272 HydrophobicContact CG2-CG1 4.25Å; T238-R275 HydrophobicContact CG2-CG 4.28Å; T238-V276 HydrophobicContact CG2-CG2 4.06Å
239	Q	96.1	Very high	92.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-99.6	-37.8	-170.3	-58.4	-47.6	-57.4	0	0	114.2	L207 G235 K236 T241 Q242 F243 E279	L207-Q239 HydrophobicContact CD1-CG 3.71Å; G235-Q239 WeakPolarHBondContact O-CB 3.45Å; G235-Q239 WeakPolarHBondContact O-CG 3.31Å; G235-Q239 PolarHBondContact O-N 2.74Å; K236-Q239 PolarHBondContact O-N 3.4Å; Q239-T241 PolarHBondContact O-N 3.19Å; Q239-Q242 PolarHBondContact O-N 3.46Å; Q239-Q242 VanDerWaalsContact O-N 3.14Å; Q239-F243 HydrophobicContact CB-CD2 4.35Å; Q239-F243 HydrophobicContact CB-CE1 4.02Å; Q239-F243 HydrophobicContact CB-CE2 3.71Å; Q239-F243 HydrophobicContact CB-CZ 3.52Å; Q239-F243 HydrophobicContact CG-CZ 4.26Å; Q239-F243 WeakPolarHBondContact O-CD1 3.3Å; Q239-F243 WeakPolarHBondContact O-CD2 3.37Å; Q239-F243 WeakPolarHBondContact O-CG 3.29Å; Q239-F243 PolarHBondContact O-N 3.41Å; Q239-E279 PolarHBondContact NE2-OE2 2.67Å
240	V	97.9	Very high	92.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-42.9	-173.7	171.5	0	0	0	0	112	I220 I228 K236 Q242 F243 I244 I363 M365	I220-V240 HydrophobicContact CD1-CG1 4.33Å; I228-V240 HydrophobicContact CD1-CB 4.5Å; I228-V240 HydrophobicContact CD1-CG1 3.74Å; I228-V240 HydrophobicContact CD1-CG2 3.92Å; K236-V240 WeakPolarHBondContact O-CB 3.08Å; K236-V240 WeakPolarHBondContact O-CG2 3.4Å; K236-V240 PolarHBondContact O-N 3.29Å; V240-Q242 PolarHBondContact O-N 3.35Å; V240-F243 PolarHBondContact O-N 2.89Å; V240-I244 HydrophobicContact CG1-CD1 4.15Å; V240-I244 WeakPolarHBondContact O-CG1 3.43Å; V240-I244 PolarHBondContact O-N 3.14Å; V240-I244 VanDerWaalsContact O-N 3.12Å; V240-I363 HydrophobicContact CG1-CG2 4.38Å; V240-M365 HydrophobicContact CB-SD 3.97Å; V240-M365 HydrophobicContact CG1-SD 4.13Å; V240-M365 HydrophobicContact CG2-SD 4Å
241	T	98.3	Very high	92.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-43.1	175.8	52.6	0	0	0	0	111.8	Q239 L245 I259 C261 I307 Y309 V332	Q239-T241 PolarHBondContact O-N 3.19Å; T241-L245 PolarHBondContact O-N 3.09Å; T241-L245 VanDerWaalsContact O-N 3.13Å; T241-I259 HydrophobicContact CG2-CG2 4.04Å; T241-I259 WeakPolarHBondContact O-CD1 2.77Å; T241-C261 HydrophobicContact CG2-CB 4.01Å; T241-I307 HydrophobicContact CG2-CG2 4.19Å; T241-Y309 HydrophobicContact CG2-CE1 4.37Å; T241-Y309 PolarHBondContact OG1-OH 3.25Å; T241-V332 HydrophobicContact CG2-CG2 4.33Å
242	Q	98.4	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-42.2	176	-64	-169.9	76	0	0	111.7	T238 Q239 V240 I244 L245 D246 V276 E279 I307	T238-Q242 WeakPolarHBondContact O-CG 3.36Å; T238-Q242 PolarHBondContact O-NE2 3.41Å; Q239-Q242 PolarHBondContact O-N 3.46Å; Q239-Q242 VanDerWaalsContact O-N 3.14Å; V240-Q242 PolarHBondContact O-N 3.35Å; Q242-I244 VanDerWaalsContact C-N 3.34Å; Q242-I244 PolarHBondContact O-N 3.47Å; Q242-L245 PolarHBondContact O-N 3.37Å; Q242-D246 VanDerWaalsContact O-CB 3.24Å; Q242-D246 WeakPolarHBondContact O-CB 3.35Å; Q242-D246 PolarHBondContact O-N 3.42Å; Q242-V276 HydrophobicContact CG-CG1 3.64Å; Q242-E279 PolarHBondContact NE2-OE2 2.66Å; Q242-I307 HydrophobicContact CG-CD1 4.22Å
243	F	98.5	Very high	94.5	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-41.9	179.3	-61.9	-23.4	0	0	0	112.4	S209 Y210 Q213 L216 V217 Q239 V240 N247	S209-F243 VanDerWaalsContact O-CE2 3.27Å; S209-F243 WeakPolarHBondContact O-CE2 3.2Å; Y210-F243 AromaticContact CD2-CE1 3.95Å; Y210-F243 HydrophobicContact CD2-CE1 3.95Å; Y210-F243 HydrophobicContact CD2-CZ 4.16Å; Q213-F243 HydrophobicContact CB-CD1 4.28Å; Q213-F243 HydrophobicContact CB-CD2 4.16Å; Q213-F243 HydrophobicContact CB-CE1 4.13Å; Q213-F243 HydrophobicContact CB-CE2 4.01Å; Q213-F243 HydrophobicContact CB-CG 4.3Å; Q213-F243 HydrophobicContact CB-CZ 3.99Å; Q213-F243 HydrophobicContact CG-CB 4.11Å; Q213-F243 HydrophobicContact CG-CD1 3.6Å; Q213-F243 HydrophobicContact CG-CD2 4Å; Q213-F243 HydrophobicContact CG-CE1 3.9Å; Q213-F243 HydrophobicContact CG-CE2 4.28Å; Q213-F243 HydrophobicContact CG-CG 3.65Å; Q213-F243 HydrophobicContact CG-CZ 4.23Å; L216-F243 HydrophobicContact CD1-CD2 4.22Å; L216-F243 HydrophobicContact CD1-CE2 4.15Å; V217-F243 HydrophobicContact CG1-CB 3.81Å; Q239-F243 HydrophobicContact CB-CD2 4.35Å; Q239-F243 HydrophobicContact CB-CE1 4.02Å; Q239-F243 HydrophobicContact CB-CE2 3.71Å; Q239-F243 HydrophobicContact CB-CZ 3.52Å; Q239-F243 HydrophobicContact CG-CZ 4.26Å; Q239-F243 WeakPolarHBondContact O-CD1 3.3Å; Q239-F243 WeakPolarHBondContact O-CD2 3.37Å; Q239-F243 WeakPolarHBondContact O-CG 3.29Å; Q239-F243 PolarHBondContact O-N 3.41Å; V240-F243 PolarHBondContact O-N 2.89Å; F243-N247 WeakPolarHBondContact O-CB 3.35Å; F243-N247 PolarHBondContact O-N 3.35Å
244	I	98.4	Very high	95.4	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-51.3	174.7	-61.1	162	0	0	0	109.9	I220 V240 Q242 N247 Y248 I259 I363	I220-I244 HydrophobicContact CD1-CD1 4.09Å; I220-I244 HydrophobicContact CD1-CG1 4.08Å; V240-I244 HydrophobicContact CG1-CD1 4.15Å; V240-I244 WeakPolarHBondContact O-CG1 3.43Å; V240-I244 PolarHBondContact O-N 3.14Å; V240-I244 VanDerWaalsContact O-N 3.12Å; Q242-I244 VanDerWaalsContact C-N 3.34Å; Q242-I244 PolarHBondContact O-N 3.47Å; I244-N247 PolarHBondContact O-N 2.9Å; I244-Y248 HydrophobicContact CG2-CD2 4.31Å; I244-Y248 HydrophobicContact CG2-CE2 4.36Å; I244-Y248 WeakPolarHBondContact O-CD2 3.45Å; I244-Y248 PolarHBondContact O-N 3.32Å; I244-I259 HydrophobicContact CB-CD1 3.7Å; I244-I259 HydrophobicContact CG2-CD1 3.68Å; I244-I259 HydrophobicContact CG2-CG1 4.21Å; I244-I363 HydrophobicContact CD1-CD1 4.14Å
245	L	98.1	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-49	-177.3	177.2	59.8	0	0	0	112.3	T241 Q242 N247 Y248 I249 C257 I259 G305 I307	T241-L245 PolarHBondContact O-N 3.09Å; T241-L245 VanDerWaalsContact O-N 3.13Å; Q242-L245 PolarHBondContact O-N 3.37Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 3.36Å; L245-Y248 PolarHBondContact O-N 3.41Å; L245-I249 HydrophobicContact CD1-CD1 3.9Å; L245-I249 HydrophobicContact CD1-CG1 4.21Å; L245-I249 HydrophobicContact CG-CD1 3.88Å; L245-I249 WeakPolarHBondContact O-CG1 3.25Å; L245-I249 PolarHBondContact O-N 3.3Å; L245-C257 HydrophobicContact CD1-CB 3.92Å; L245-I259 HydrophobicContact CB-CD1 3.9Å; L245-G305 VanDerWaalsContact CD1-C 3.43Å; L245-I307 HydrophobicContact CB-CD1 4.15Å; L245-I307 HydrophobicContact CB-CG1 4.33Å; L245-I307 HydrophobicContact CD2-CD1 3.8Å; L245-I307 HydrophobicContact CD2-CG1 3.96Å
246	D	97.8	Very high	96.1	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.043	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-39.9	-179.7	-68	-27.3	0	0	0	110.2	R204 Q242 Y248 I249 E250 R280	R204-D246 IonicContact NH2-OD2 2.9Å; Q242-D246 VanDerWaalsContact O-CB 3.24Å; Q242-D246 WeakPolarHBondContact O-CB 3.35Å; Q242-D246 PolarHBondContact O-N 3.42Å; D246-Y248 PolarHBondContact O-N 2.99Å; D246-I249 PolarHBondContact O-N 2.77Å; D246-E250 WeakPolarHBondContact O-CB 3.22Å; D246-E250 WeakPolarHBondContact O-CG 3.21Å; D246-E250 PolarHBondContact O-N 2.75Å; D246-R280 VanDerWaalsContact CG-NH1 3.3Å; D246-R280 IonicContact OD1-CZ 3.23Å; D246-R280 IonicContact OD1-NH1 2.77Å; D246-R280 PolarHBondContact OD1-NH1 2.87Å; D246-R280 IonicContact OD1-NH2 2.8Å; D246-R280 PolarHBondContact OD1-NH2 2.67Å; D246-R280 IonicContact OD2-NH1 3.1Å; D246-R280 PolarHBondContact OD2-NH1 3.14Å
247	N	97.8	Very high	96.3	Very high	27 Å²	27	26.3 Å²	26.3	14%	0.144	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-35.3	177.9	-165.7	-109.6	0	0	0	113.3	V217 F243 I244 L245 R251	V217-N247 HydrophobicContact CG1-CB 4.27Å; F243-N247 WeakPolarHBondContact O-CB 3.35Å; F243-N247 PolarHBondContact O-N 3.35Å; I244-N247 PolarHBondContact O-N 2.9Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 3.36Å; N247-R251 WeakPolarHBondContact O-CB 3.42Å; N247-R251 VanDerWaalsContact O-CG 3.24Å; N247-R251 WeakPolarHBondContact O-CG 3.16Å; N247-R251 PolarHBondContact O-N 2.87Å; N247-R251 PolarHBondContact OD1-NE 2.9Å; N247-R251 PolarHBondContact OD1-NH2 3.11Å
248	Y	97.3	Very high	96.5	Very high	47 Å²	47	25.7 Å²	25.7	18%	0.184	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-40.8	172	-90.5	-115.7	0	0	0	111.7	I244 L245 D246 R251 G252 K253 G254 C257 H330	I244-Y248 HydrophobicContact CG2-CD2 4.31Å; I244-Y248 HydrophobicContact CG2-CE2 4.36Å; I244-Y248 WeakPolarHBondContact O-CD2 3.45Å; I244-Y248 PolarHBondContact O-N 3.32Å; L245-Y248 PolarHBondContact O-N 3.41Å; D246-Y248 PolarHBondContact O-N 2.99Å; Y248-R251 PolarHBondContact O-N 3.44Å; Y248-G252 PolarHBondContact O-N 3.22Å; Y248-K253 HydrophobicContact CD1-CB 4.23Å; Y248-K253 WeakPolarHBondContact CD1-O 3.49Å; Y248-K253 CarbonylContact O-C 3.5Å; Y248-K253 WeakPolarHBondContact O-CA 3.3Å; Y248-K253 PolarHBondContact O-N 3.24Å; Y248-G254 PolarHBondContact O-N 3.44Å; Y248-C257 HydrophobicContact CD1-CB 3.92Å; Y248-C257 HydrophobicContact CG-CB 4Å; Y248-H330 AromaticContact CE2-CE1 3.88Å; Y248-H330 AromaticContact CE2-NE2 3.97Å; Y248-H330 AromaticContact CZ-CE1 3.64Å; Y248-H330 PolarHBondContact OH-CE1 2.8Å
249	I	97.4	Very high	96.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-47.6	175.7	-66.9	169.4	0	0	0	111	L184 L185 L188 L245 D246 R251 G252	L184-I249 HydrophobicContact CB-CD1 4.48Å; L184-I249 HydrophobicContact CB-CG1 4.26Å; L184-I249 HydrophobicContact CB-CG2 4.2Å; L184-I249 WeakPolarHBondContact O-CG2 3.37Å; L185-I249 HydrophobicContact CB-CG2 4.45Å; L188-I249 HydrophobicContact CB-CG2 4.03Å; L188-I249 HydrophobicContact CD2-CB 4.33Å; L188-I249 HydrophobicContact CD2-CG2 3.75Å; L245-I249 HydrophobicContact CD1-CD1 3.9Å; L245-I249 HydrophobicContact CD1-CG1 4.21Å; L245-I249 HydrophobicContact CG-CD1 3.88Å; L245-I249 WeakPolarHBondContact O-CG1 3.25Å; L245-I249 PolarHBondContact O-N 3.3Å; D246-I249 PolarHBondContact O-N 2.77Å; I249-R251 PolarHBondContact O-N 3.49Å; I249-G252 PolarHBondContact O-N 3.01Å
250	E	96.9	Very high	96.8	Very high	93 Å²	93	25 Å²	25	44%	0.435	13%	0.125	S	C	.	.	H	α-helix	trans	-62.9	-24.2	179.2	-72.9	-173	150.1	0	0	113.3	L188 K192 D246	L188-E250 HydrophobicContact CD2-CG 3.55Å; K192-E250 IonicContact NZ-OE1 3.37Å; K192-E250 PolarHBondContact NZ-OE1 3.11Å; D246-E250 WeakPolarHBondContact O-CB 3.22Å; D246-E250 WeakPolarHBondContact O-CG 3.21Å; D246-E250 PolarHBondContact O-N 2.75Å
251	R	96.3	Very high	96.8	Very high	120 Å²	120	24.9 Å²	24.9	45%	0.453	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4	172.6	-68.8	176.4	-171.9	-176.6	9.9	114.3	D221 N247 Y248 I249	D221-R251 IonicContact OD1-NH1 2.68Å; D221-R251 IonicContact OD2-CZ 3.54Å; D221-R251 IonicContact OD2-NH1 3.21Å; D221-R251 PolarHBondContact OD2-NH1 3.04Å; D221-R251 IonicContact OD2-NH2 3.04Å; D221-R251 PolarHBondContact OD2-NH2 2.87Å; N247-R251 WeakPolarHBondContact O-CB 3.42Å; N247-R251 VanDerWaalsContact O-CG 3.24Å; N247-R251 WeakPolarHBondContact O-CG 3.16Å; N247-R251 PolarHBondContact O-N 2.87Å; N247-R251 PolarHBondContact OD1-NE 2.9Å; N247-R251 PolarHBondContact OD1-NH2 3.11Å; Y248-R251 PolarHBondContact O-N 3.44Å; I249-R251 PolarHBondContact O-N 3.49Å
252	G	95.8	Very high	96.7	Very high	32 Å²	32	25 Å²	25	33%	0.33	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	34.5	-176.4	0	0	0	0	0	113.6	Y248 I249	Y248-G252 PolarHBondContact O-N 3.22Å; I249-G252 PolarHBondContact O-N 3.01Å
253	K	95.5	Very high	96.5	Very high	124 Å²	124	25.1 Å²	25.1	54%	0.539	13%	0.126	S	C	.	.			trans	-133.7	25.4	-179.3	-61.4	-173.9	178.7	-174.7	0	112.7	D181 Y248 S255 A256	D181-K253 VanDerWaalsContact OD1-CA 3.27Å; D181-K253 WeakPolarHBondContact OD1-CA 3.2Å; Y248-K253 HydrophobicContact CD1-CB 4.23Å; Y248-K253 WeakPolarHBondContact CD1-O 3.49Å; Y248-K253 CarbonylContact O-C 3.5Å; Y248-K253 WeakPolarHBondContact O-CA 3.3Å; Y248-K253 PolarHBondContact O-N 3.24Å; K253-S255 VanDerWaalsContact C-N 3.28Å; K253-S255 PolarHBondContact O-N 3.08Å; K253-A256 PolarHBondContact O-N 2.91Å
254	G	94.3	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-55.2	-38.8	-179.5	0	0	0	0	0	113.7	D181 Y248 A256 C257 G305	D181-G254 PolarHBondContact OD1-N 3.03Å; Y248-G254 PolarHBondContact O-N 3.44Å; G254-A256 VanDerWaalsContact C-N 3.27Å; G254-A256 PolarHBondContact O-N 3.2Å; G254-C257 WeakPolarHBondContact O-CB 3.04Å; G254-C257 PolarHBondContact O-N 3.06Å; G254-G305 WeakPolarHBondContact O-CA 3.32Å; G254-G305 PolarHBondContact O-N 2.94Å
255	S	94.6	Very high	95.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-60.2	-32.7	-178.7	69.9	0	0	0	0	113.3	D177 D181 K253 C257 Q304	D177-S255 PolarHBondContact N-OG 2.97Å; D181-S255 VanDerWaalsContact CG-OG 3.23Å; D181-S255 WeakPolarHBondContact OD1-CB 3.16Å; D181-S255 PolarHBondContact OD1-N 3.02Å; D181-S255 PolarHBondContact OD1-OG 2.72Å; D181-S255 PolarHBondContact OD2-OG 3.06Å; K253-S255 VanDerWaalsContact C-N 3.28Å; K253-S255 PolarHBondContact O-N 3.08Å; S255-C257 VanDerWaalsContact C-N 3.28Å; S255-C257 PolarHBondContact O-N 2.77Å; S255-Q304 WeakPolarHBondContact O-CB 3.44Å; S255-Q304 VanDerWaalsContact O-CG 3.31Å; S255-Q304 WeakPolarHBondContact O-CG 3.41Å; S255-Q304 PolarHBondContact O-NE2 2.84Å
256	A	93.3	Very high	94.3	Very high	40 Å²	40	33.2 Å²	33.2	33%	0.331	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-77.6	-7.5	177.4	0	0	0	0	0	114	K253 G254 S329	K253-A256 PolarHBondContact O-N 2.91Å; G254-A256 VanDerWaalsContact C-N 3.27Å; G254-A256 PolarHBondContact O-N 3.2Å; A256-S329 PolarHBondContact O-OG 2.64Å
257	C	94.8	Very high	93.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.			trans	-95	110.9	-176.2	-157.3	0	0	0	0	111.6	L245 Y248 G254 S255 G305 S306	L245-C257 HydrophobicContact CD1-CB 3.92Å; Y248-C257 HydrophobicContact CD1-CB 3.92Å; Y248-C257 HydrophobicContact CG-CB 4Å; G254-C257 WeakPolarHBondContact O-CB 3.04Å; G254-C257 PolarHBondContact O-N 3.06Å; S255-C257 VanDerWaalsContact C-N 3.28Å; S255-C257 PolarHBondContact O-N 2.77Å; C257-G305 CarbonylContact O-C 3.55Å; C257-G305 WeakPolarHBondContact O-CA 3.31Å; C257-G305 PolarHBondContact O-N 3.34Å; C257-S306 PolarHBondContact O-N 2.76Å
258	R	95.3	Very high	92.7	Very high	10 Å²	10	32.2 Å²	32.2	4%	0.038	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	105.2	168.3	-89.2	168.6	66.7	108.5	-18.5	108.2	Y169 N174 K303 S327 S329 H330	Y169-R258 PolarHBondContact O-NH2 3.27Å; N174-R258 VanDerWaalsContact CG-CD 3.43Å; N174-R258 VanDerWaalsContact ND2-CD 3.3Å; N174-R258 WeakPolarHBondContact ND2-CD 3.2Å; N174-R258 PolarHBondContact ND2-NE 3Å; N174-R258 WeakPolarHBondContact OD1-CD 3.46Å; R258-K303 WeakPolarHBondContact CD-O 3.27Å; R258-K303 WeakPolarHBondContact CG-O 3.4Å; R258-K303 PolarHBondContact NH1-O 2.76Å; R258-S327 WeakPolarHBondContact CD-O 3.35Å; R258-S327 PolarHBondContact NE-O 3.03Å; R258-S327 PolarHBondContact NH2-OG 3.35Å; R258-S329 PolarHBondContact N-OG 2.97Å; R258-S329 PolarHBondContact O-N 3.44Å; R258-S329 VanDerWaalsContact O-N 3.11Å; R258-S329 PolarHBondContact O-OG 2.82Å; R258-H330 PolarHBondContact O-N 3.12Å
259	I	98.2	Very high	92.4	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.3	-176.6	-55.4	170	0	0	0	108.3	T241 I244 L245 S306 I307 L308 H330 V332	T241-I259 HydrophobicContact CG2-CG2 4.04Å; T241-I259 WeakPolarHBondContact O-CD1 2.77Å; I244-I259 HydrophobicContact CB-CD1 3.7Å; I244-I259 HydrophobicContact CG2-CD1 3.68Å; I244-I259 HydrophobicContact CG2-CG1 4.21Å; L245-I259 HydrophobicContact CB-CD1 3.9Å; I259-S306 PolarHBondContact N-O 2.86Å; I259-I307 HydrophobicContact CB-CG1 4.26Å; I259-I307 HydrophobicContact CD1-CG1 4Å; I259-I307 WeakPolarHBondContact O-CA 3.45Å; I259-L308 PolarHBondContact O-N 2.88Å; I259-H330 WeakPolarHBondContact CA-O 3.5Å; I259-H330 HydrophobicContact CB-CB 4.48Å; I259-H330 HydrophobicContact CG1-CB 4.12Å; I259-H330 HydrophobicContact CG2-CB 4.35Å; I259-V332 HydrophobicContact CG2-CG2 3.93Å
260	V	97.9	Very high	91.8	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.4	172.7	-176.4	0	0	0	0	108.8	L308 I315 W318 V328 H330 I331 V332	V260-L308 WeakPolarHBondContact CA-O 3.39Å; V260-I315 HydrophobicContact CG1-CD1 3.64Å; V260-W318 HydrophobicContact CG1-CH2 4.25Å; V260-W318 HydrophobicContact CG1-CZ3 4.1Å; V260-W318 HydrophobicContact CG2-CZ3 4.32Å; V260-V328 HydrophobicContact CB-CG1 4.19Å; V260-V328 HydrophobicContact CG2-CB 4.49Å; V260-V328 HydrophobicContact CG2-CG1 3.93Å; V260-V328 HydrophobicContact CG2-CG2 3.77Å; V260-H330 PolarHBondContact N-O 3.43Å; V260-I331 WeakPolarHBondContact O-CA 3.15Å; V260-V332 PolarHBondContact O-N 3.16Å
261	C	98.2	Very high	91.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.4	179.3	-178	0	0	0	0	110.2	T241 L308 Y309 C310 V332	T241-C261 HydrophobicContact CG2-CB 4.01Å; C261-L308 PolarHBondContact N-O 3.23Å; C261-Y309 HydrophobicContact CB-CD1 3.63Å; C261-Y309 HydrophobicContact CB-CE1 3.64Å; C261-Y309 HydrophobicContact CB-CG 4.44Å; C261-Y309 CarbonylContact O-C 3.55Å; C261-Y309 WeakPolarHBondContact O-CA 3.46Å; C261-Y309 VanDerWaalsContact SG-CE1 3.57Å; C261-C310 PolarHBondContact O-N 3.35Å; C261-V332 CarbonylContact C-O 3.6Å; C261-V332 VanDerWaalsContact CA-O 3.32Å; C261-V332 WeakPolarHBondContact CA-O 3.15Å; C261-V332 HydrophobicContact CB-CB 3.99Å
262	T	96.9	Very high	90.9	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	149.8	175.4	66.9	0	0	0	0	110.8	C310 I315 V332 L333 D334 L346	T262-C310 CarbonylContact C-O 3.58Å; T262-C310 VanDerWaalsContact CA-O 3.31Å; T262-C310 WeakPolarHBondContact CA-O 3.44Å; T262-I315 HydrophobicContact CG2-CD1 4.47Å; T262-I315 HydrophobicContact CG2-CG1 3.62Å; T262-V332 PolarHBondContact N-O 3.46Å; T262-L333 HydrophobicContact CG2-CD2 3.8Å; T262-L333 WeakPolarHBondContact OG1-CA 3.16Å; T262-L333 WeakPolarHBondContact OG1-CD2 3.48Å; T262-D334 VanDerWaalsContact O-CB 3.31Å; T262-D334 WeakPolarHBondContact O-CB 3.24Å; T262-L346 HydrophobicContact CG2-CD2 4Å
263	Q	93.2	Very high	90.9	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143	176.6	-69.9	-69.2	-52.2	0	0	108.9	R265 A269 Y309 C310 T311 T312 D334	Q263-R265 PolarHBondContact O-N 3.49Å; Q263-A269 HydrophobicContact CB-CB 4.22Å; Q263-A269 HydrophobicContact CG-CB 4.36Å; Q263-Y309 HydrophobicContact CG-CD1 4.32Å; Q263-C310 PolarHBondContact N-O 3.23Å; Q263-T311 WeakPolarHBondContact O-CA 3.43Å; Q263-T312 PolarHBondContact O-N 2.71Å; Q263-D334 PolarHBondContact NE2-OD2 2.88Å
264	P	85.9	Confident	90.6	Very high	30 Å²	30	18.1 Å²	18.1	20%	0.195	9%	0.093	C	C	.	.	S	Bend	trans	-69.8	-21.4	-178.7	27.5	-35.4	0	0	0	112.9	E335	P264-E335 HydrophobicContact CG-CB 3.83Å; P264-E335 HydrophobicContact CG-CG 4.19Å
265	R	82.1	Confident	90.4	Very high	48 Å²	48	22 Å²	22	18%	0.181	11%	0.107	C	C	.	.	S	Bend	trans	-131.9	146.1	-174.9	-56.6	177.2	-174.1	67.4	7.6	112.5	Q263 I267 S268 A269 E338 T556 S557	Q263-R265 PolarHBondContact O-N 3.49Å; R265-I267 VanDerWaalsContact C-N 3.31Å; R265-I267 HydrophobicContact CB-CG2 4.26Å; R265-I267 PolarHBondContact O-N 2.73Å; R265-S268 PolarHBondContact O-N 3.08Å; R265-S268 PolarHBondContact O-OG 2.94Å; R265-A269 PolarHBondContact O-N 3.37Å; R265-E338 IonicContact CZ-OE1 2.69Å; R265-E338 IonicContact CZ-OE2 3.75Å; R265-E338 IonicContact NH1-OE1 2.73Å; R265-E338 PolarHBondContact NH1-OE1 2.96Å; R265-E338 IonicContact NH1-OE2 3.66Å; R265-E338 PolarHBondContact NH1-OE2 2.73Å; R265-E338 IonicContact NH2-OE1 3.7Å; R265-E338 IonicContact NH2-OE2 3.2Å; R265-E338 PolarHBondContact NH2-OE2 3.15Å; R265-T556 PolarHBondContact NH1-OG1 2.93Å; R265-S557 PolarHBondContact NH1-OG 2.92Å
266	R	82	Confident	90.4	Very high	98 Å²	98	21.9 Å²	21.9	37%	0.37	11%	0.107	S	C	.	.	H	α-helix	trans	-55.9	-42.5	178.4	-66.4	174.5	77.4	-173.7	6.2	112.5	S268 A269 I270 I294 R295 T311	R266-S268 PolarHBondContact O-N 3.41Å; R266-A269 PolarHBondContact O-N 3Å; R266-I270 WeakPolarHBondContact O-CG1 3.3Å; R266-I270 PolarHBondContact O-N 3.32Å; R266-I294 HydrophobicContact CB-CD1 3.94Å; R266-I294 HydrophobicContact CB-CG2 4.48Å; R266-I294 HydrophobicContact CG-CB 4.38Å; R266-I294 HydrophobicContact CG-CD1 4.29Å; R266-R295 PolarHBondContact NH2-O 3.45Å; R266-T311 HydrophobicContact CB-CG2 4.39Å; R266-T311 HydrophobicContact CG-CG2 3.88Å
267	I	77.1	Confident	90.5	Very high	13 Å²	13	20 Å²	20	7%	0.067	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-36.8	-178.9	-172.5	64.4	0	0	0	112.4	R265 I270 S271 T530 Q533 I553 I558	R265-I267 VanDerWaalsContact C-N 3.31Å; R265-I267 HydrophobicContact CB-CG2 4.26Å; R265-I267 PolarHBondContact O-N 2.73Å; I267-I270 PolarHBondContact O-N 2.89Å; I267-S271 WeakPolarHBondContact O-CB 3.49Å; I267-S271 PolarHBondContact O-N 2.83Å; I267-S271 PolarHBondContact O-OG 2.64Å; I267-T530 HydrophobicContact CD1-CG2 4.09Å; I267-Q533 HydrophobicContact CD1-CB 4.26Å; I267-Q533 VanDerWaalsContact CG1-OE1 3.31Å; I267-I553 HydrophobicContact CG2-CD1 4.22Å; I267-I558 HydrophobicContact CG1-CD1 4.25Å; I267-I558 HydrophobicContact CG1-CG1 4.42Å; I267-I558 HydrophobicContact CG2-CD1 4.04Å; I267-I558 HydrophobicContact CG2-CG1 4.03Å
268	S	84.7	Confident	90.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.8	-45.2	178.1	-23.8	0	0	0	0	110.7	R265 R266 I270 S271 V272 S557	R265-S268 PolarHBondContact O-N 3.08Å; R265-S268 PolarHBondContact O-OG 2.94Å; R266-S268 PolarHBondContact O-N 3.41Å; S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 3.5Å; S268-S271 PolarHBondContact O-N 2.83Å; S268-S271 PolarHBondContact O-OG 3.28Å; S268-V272 WeakPolarHBondContact O-CB 3.42Å; S268-V272 WeakPolarHBondContact O-CG2 3.42Å; S268-V272 PolarHBondContact O-N 2.9Å; S268-S557 WeakPolarHBondContact OG-CB 3.32Å; S268-S557 PolarHBondContact OG-OG 3.27Å
269	A	89.5	Confident	90.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-40.6	176.5	0	0	0	0	0	112.5	Q263 R265 R266 A273 Y292 I294	Q263-A269 HydrophobicContact CB-CB 4.22Å; Q263-A269 HydrophobicContact CG-CB 4.36Å; R265-A269 PolarHBondContact O-N 3.37Å; R266-A269 PolarHBondContact O-N 3Å; A269-A273 VanDerWaalsContact O-CB 3.22Å; A269-A273 WeakPolarHBondContact O-CB 3.09Å; A269-A273 PolarHBondContact O-N 2.91Å; A269-Y292 WeakPolarHBondContact O-CB 3.09Å; A269-I294 HydrophobicContact CB-CG2 3.63Å
270	I	85.4	Confident	90.3	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.051	11%	0.107	C	C	.	.	H	α-helix	trans	-68.3	-57.8	174.6	-60.7	168	0	0	0	110.9	R266 I267 S268 V272 A273 E274 Y292 I294 T530	R266-I270 WeakPolarHBondContact O-CG1 3.3Å; R266-I270 PolarHBondContact O-N 3.32Å; I267-I270 PolarHBondContact O-N 2.89Å; S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 3.5Å; I270-V272 PolarHBondContact O-N 2.9Å; I270-A273 PolarHBondContact O-N 3.35Å; I270-E274 HydrophobicContact CG2-CG 4.33Å; I270-E274 WeakPolarHBondContact O-CG 3.4Å; I270-E274 PolarHBondContact O-N 3.45Å; I270-Y292 HydrophobicContact CB-CE1 4.39Å; I270-Y292 HydrophobicContact CG1-CD1 4.46Å; I270-Y292 HydrophobicContact CG1-CD2 4.03Å; I270-Y292 HydrophobicContact CG1-CE1 4.24Å; I270-Y292 HydrophobicContact CG1-CE2 3.81Å; I270-Y292 HydrophobicContact CG1-CG 4.36Å; I270-Y292 HydrophobicContact CG2-CD1 4.49Å; I270-Y292 HydrophobicContact CG2-CE1 3.99Å; I270-I294 HydrophobicContact CD1-CD1 3.69Å; I270-I294 HydrophobicContact CG1-CD1 3.99Å; I270-T530 HydrophobicContact CD1-CG2 3.71Å
271	S	84.3	Confident	90.2	Very high	25 Å²	25	22.3 Å²	22.3	18%	0.175	11%	0.112	C	C	.	.	H	α-helix	trans	-67	-35.7	-168.9	65.1	0	0	0	0	112.5	I267 S268 R275	I267-S271 WeakPolarHBondContact O-CB 3.49Å; I267-S271 PolarHBondContact O-N 2.83Å; I267-S271 PolarHBondContact O-OG 2.64Å; S268-S271 PolarHBondContact O-N 2.83Å; S268-S271 PolarHBondContact O-OG 3.28Å; S271-R275 WeakPolarHBondContact O-CB 3.41Å; S271-R275 PolarHBondContact O-N 3.28Å
272	V	90.6	Very high	90	Very high	15 Å²	15	23.5 Å²	23.5	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-43.9	174	177.9	0	0	0	0	110.6	T237 T238 S268 I270 R275 V276 Y309	T237-V272 HydrophobicContact CG2-CB 4.37Å; T237-V272 HydrophobicContact CG2-CG1 3.73Å; T237-V272 HydrophobicContact CG2-CG2 3.7Å; T238-V272 HydrophobicContact CG2-CG1 4.25Å; S268-V272 WeakPolarHBondContact O-CB 3.42Å; S268-V272 WeakPolarHBondContact O-CG2 3.42Å; S268-V272 PolarHBondContact O-N 2.9Å; I270-V272 PolarHBondContact O-N 2.9Å; V272-R275 PolarHBondContact O-N 2.94Å; V272-V276 HydrophobicContact CG1-CG2 4.23Å; V272-V276 WeakPolarHBondContact O-CB 3.23Å; V272-V276 WeakPolarHBondContact O-CG2 3.41Å; V272-V276 PolarHBondContact O-N 3.32Å; V272-Y309 HydrophobicContact CB-CD1 4.32Å; V272-Y309 HydrophobicContact CB-CE1 4.31Å; V272-Y309 HydrophobicContact CG1-CD1 3.8Å; V272-Y309 HydrophobicContact CG1-CD2 4.34Å; V272-Y309 HydrophobicContact CG1-CE1 3.32Å; V272-Y309 HydrophobicContact CG1-CE2 3.92Å; V272-Y309 HydrophobicContact CG1-CG 4.29Å
273	A	94.3	Very high	89.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-40.5	177.4	0	0	0	0	0	112.8	A269 I270 A277 T290 G291 Y292 Y309	A269-A273 VanDerWaalsContact O-CB 3.22Å; A269-A273 WeakPolarHBondContact O-CB 3.09Å; A269-A273 PolarHBondContact O-N 2.91Å; I270-A273 PolarHBondContact O-N 3.35Å; A273-A277 VanDerWaalsContact O-CB 3.27Å; A273-A277 WeakPolarHBondContact O-CB 3.25Å; A273-A277 PolarHBondContact O-N 3.3Å; A273-T290 HydrophobicContact CB-CG2 4.35Å; A273-G291 WeakPolarHBondContact CB-O 3.3Å; A273-Y292 HydrophobicContact CB-CD1 3.96Å; A273-Y292 HydrophobicContact CB-CG 4.39Å; A273-Y309 HydrophobicContact CB-CD2 3.82Å; A273-Y309 HydrophobicContact CB-CG 4.35Å
274	E	90.6	Very high	89.9	Confident	75 Å²	75	26.9 Å²	26.9	35%	0.35	14%	0.141	S	C	.	.	H	α-helix	trans	-66.8	-40.6	174.9	-70.9	-172.7	152.3	0	0	111.5	I270 A278 C284 R299	I270-E274 HydrophobicContact CG2-CG 4.33Å; I270-E274 WeakPolarHBondContact O-CG 3.4Å; I270-E274 PolarHBondContact O-N 3.45Å; E274-A278 WeakPolarHBondContact O-CB 3.16Å; E274-A278 PolarHBondContact O-N 3.32Å; E274-C284 HydrophobicContact CG-CB 3.93Å; E274-R299 IonicContact OE1-NH1 2.83Å; E274-R299 PolarHBondContact OE1-NH1 2.84Å
275	R	89.2	Confident	90.3	Very high	80 Å²	80	25.4 Å²	25.4	30%	0.302	13%	0.132	S	C	.	.	H	α-helix	trans	-64	-46.9	175.5	176.1	62	-164.9	-167.7	9.3	112.4	T238 S271 V272 A278 E279	T238-R275 HydrophobicContact CG2-CG 4.28Å; S271-R275 WeakPolarHBondContact O-CB 3.41Å; S271-R275 PolarHBondContact O-N 3.28Å; V272-R275 PolarHBondContact O-N 2.94Å; R275-A278 PolarHBondContact O-N 2.8Å; R275-E279 IonicContact CZ-OE1 2.96Å; R275-E279 VanDerWaalsContact CZ-OE1 3.23Å; R275-E279 IonicContact NE-OE1 3.78Å; R275-E279 PolarHBondContact NE-OE1 2.84Å; R275-E279 IonicContact NH2-OE1 3.78Å; R275-E279 PolarHBondContact NH2-OE1 3.35Å; R275-E279 PolarHBondContact O-N 2.91Å
276	V	95.7	Very high	90.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-37.9	-179.9	170.4	0	0	0	0	111.1	T238 Q242 V272 A278 E279 R280 T290 Y309	T238-V276 HydrophobicContact CG2-CG2 4.06Å; Q242-V276 HydrophobicContact CG-CG1 3.64Å; V272-V276 HydrophobicContact CG1-CG2 4.23Å; V272-V276 WeakPolarHBondContact O-CB 3.23Å; V272-V276 WeakPolarHBondContact O-CG2 3.41Å; V272-V276 PolarHBondContact O-N 3.32Å; V276-A278 VanDerWaalsContact C-N 3.35Å; V276-A278 PolarHBondContact O-N 3.06Å; V276-E279 PolarHBondContact O-N 2.91Å; V276-R280 VanDerWaalsContact O-CG 3.23Å; V276-R280 WeakPolarHBondContact O-CG 3.32Å; V276-R280 PolarHBondContact O-N 3.38Å; V276-R280 VanDerWaalsContact O-N 3.11Å; V276-T290 HydrophobicContact CB-CG2 4.04Å; V276-T290 HydrophobicContact CG1-CG2 3.82Å; V276-Y309 HydrophobicContact CB-CE2 4.38Å; V276-Y309 HydrophobicContact CG2-CE2 4.29Å
277	A	95.7	Very high	90.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-44.4	170.9	0	0	0	0	0	111.8	A273 R280 A281 E282 C284	A273-A277 VanDerWaalsContact O-CB 3.27Å; A273-A277 WeakPolarHBondContact O-CB 3.25Å; A273-A277 PolarHBondContact O-N 3.3Å; A277-R280 CarbonylContact O-C 3.57Å; A277-R280 PolarHBondContact O-N 2.83Å; A277-R280 VanDerWaalsContact O-N 3.13Å; A277-A281 PolarHBondContact O-N 2.72Å; A277-E282 CarbonylContact C-O 3.54Å; A277-E282 PolarHBondContact O-N 3.11Å; A277-C284 HydrophobicContact CB-CB 3.88Å
278	A	92.8	Very high	91.6	Very high	43 Å²	43	28.3 Å²	28.3	36%	0.355	17%	0.169	S	C	.	.	H	α-helix	trans	-63.3	-42.3	176.9	0	0	0	0	0	112.8	E274 R275 V276 R280 A281	E274-A278 WeakPolarHBondContact O-CB 3.16Å; E274-A278 PolarHBondContact O-N 3.32Å; R275-A278 PolarHBondContact O-N 2.8Å; V276-A278 VanDerWaalsContact C-N 3.35Å; V276-A278 PolarHBondContact O-N 3.06Å; A278-R280 PolarHBondContact O-N 2.82Å; A278-A281 PolarHBondContact O-N 3.21Å
279	E	94.3	Very high	92.2	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-28.2	173.5	-78.3	-179.3	-169	0	0	112.9	M200 Q239 Q242 R275 V276 A281	M200-E279 WeakPolarHBondContact CB-O 3.48Å; M200-E279 HydrophobicContact SD-CG 4.23Å; Q239-E279 PolarHBondContact NE2-OE2 2.67Å; Q242-E279 PolarHBondContact NE2-OE2 2.66Å; R275-E279 IonicContact CZ-OE1 2.96Å; R275-E279 VanDerWaalsContact CZ-OE1 3.23Å; R275-E279 IonicContact NE-OE1 3.78Å; R275-E279 PolarHBondContact NE-OE1 2.84Å; R275-E279 IonicContact NH2-OE1 3.78Å; R275-E279 PolarHBondContact NH2-OE1 3.35Å; R275-E279 PolarHBondContact O-N 2.91Å; V276-E279 PolarHBondContact O-N 2.91Å; E279-A281 VanDerWaalsContact C-N 3.31Å
280	R	95.9	Very high	92.6	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.015	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8	176.8	-61.6	177.9	77.4	71.7	2.3	113.6	K191 D246 V276 A277 A278 E282 S289	K191-R280 PolarHBondContact NZ-O 3.18Å; D246-R280 VanDerWaalsContact CG-NH1 3.3Å; D246-R280 IonicContact OD1-CZ 3.23Å; D246-R280 IonicContact OD1-NH1 2.77Å; D246-R280 PolarHBondContact OD1-NH1 2.87Å; D246-R280 IonicContact OD1-NH2 2.8Å; D246-R280 PolarHBondContact OD1-NH2 2.67Å; D246-R280 IonicContact OD2-NH1 3.1Å; D246-R280 PolarHBondContact OD2-NH1 3.14Å; V276-R280 VanDerWaalsContact O-CG 3.23Å; V276-R280 WeakPolarHBondContact O-CG 3.32Å; V276-R280 PolarHBondContact O-N 3.38Å; V276-R280 VanDerWaalsContact O-N 3.11Å; A277-R280 CarbonylContact O-C 3.57Å; A277-R280 PolarHBondContact O-N 2.83Å; A277-R280 VanDerWaalsContact O-N 3.13Å; A278-R280 PolarHBondContact O-N 2.82Å; R280-E282 VanDerWaalsContact C-N 3.26Å; R280-E282 HydrophobicContact CB-CG 4.49Å; R280-E282 PolarHBondContact O-N 2.88Å; R280-S289 WeakPolarHBondContact CD-OG 3.46Å; R280-S289 PolarHBondContact NE-OG 3Å
281	A	95.6	Very high	93.1	Very high	20 Å²	20	27.8 Å²	27.8	17%	0.165	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	35.7	-174	0	0	0	0	0	113.8	R196 Y197 A277 A278 E279	R196-A281 HydrophobicContact CB-CB 4.26Å; Y197-A281 HydrophobicContact CD2-CB 4.43Å; A277-A281 PolarHBondContact O-N 2.72Å; A278-A281 PolarHBondContact O-N 3.21Å; E279-A281 VanDerWaalsContact C-N 3.31Å
282	E	95.3	Very high	93.6	Very high	26 Å²	26	26.8 Å²	26.8	12%	0.121	16%	0.159	C	C	.	.	S	Bend	trans	-119.5	161.1	-177.4	-73.6	171	-166	0	0	112.5	K191 A277 R280 N288 S289	K191-E282 WeakPolarHBondContact CE-OE1 3.25Å; K191-E282 VanDerWaalsContact NZ-CG 3.31Å; K191-E282 IonicContact NZ-OE1 2.81Å; K191-E282 PolarHBondContact NZ-OE1 3.34Å; A277-E282 CarbonylContact C-O 3.54Å; A277-E282 PolarHBondContact O-N 3.11Å; R280-E282 VanDerWaalsContact C-N 3.26Å; R280-E282 HydrophobicContact CB-CG 4.49Å; R280-E282 PolarHBondContact O-N 2.88Å; E282-N288 HydrophobicContact CB-CB 4.09Å; E282-N288 HydrophobicContact CG-CB 4.25Å; E282-N288 WeakPolarHBondContact OE2-CB 3.38Å; E282-S289 WeakPolarHBondContact OE2-CA 3.49Å; E282-S289 WeakPolarHBondContact OE2-CB 3.33Å; E282-S289 PolarHBondContact OE2-N 2.79Å; E282-S289 PolarHBondContact OE2-OG 2.8Å
283	S	93.9	Very high	93.6	Very high	63 Å²	63	26.2 Å²	26.2	44%	0.441	16%	0.155	S	C	.	.			trans	-83.2	139.6	162.9	70.7	0	0	0	0	110.4	G285 N288	S283-G285 PolarHBondContact O-N 3.35Å; S283-N288 WeakPolarHBondContact O-CB 3.39Å; S283-N288 PolarHBondContact O-ND2 2.92Å; S283-N288 VanDerWaalsContact O-ND2 3.13Å; S283-N288 PolarHBondContact OG-ND2 3.36Å
284	C	94.2	Very high	93	Very high	12 Å²	12	26.3 Å²	26.3	8%	0.081	16%	0.156	C	C	.	.	S	Bend	trans	-64.4	127.9	177.5	-174.4	0	0	0	0	111.5	E274 A277	E274-C284 HydrophobicContact CG-CB 3.93Å; A277-C284 HydrophobicContact CB-CB 3.88Å
285	G	93.1	Very high	92	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	73.9	-144.7	-174.9	0	0	0	0	0	113.1	S283 G287 N288 T290 R299 L300	S283-G285 PolarHBondContact O-N 3.35Å; G285-G287 PolarHBondContact O-N 3.37Å; G285-G287 VanDerWaalsContact O-N 3.16Å; G285-N288 VanDerWaalsContact O-CB 3.28Å; G285-N288 WeakPolarHBondContact O-CB 3.48Å; G285-N288 PolarHBondContact O-N 2.9Å; G285-N288 PolarHBondContact O-ND2 2.97Å; G285-T290 PolarHBondContact N-O 2.93Å; G285-R299 WeakPolarHBondContact CA-O 3.46Å; G285-L300 CarbonylContact C-O 3.56Å; G285-L300 VanDerWaalsContact CA-O 3.22Å; G285-L300 WeakPolarHBondContact CA-O 3.49Å
286	N	88.1	Confident	90.6	Very high	131 Å²	131	26.4 Å²	26.4	70%	0.701	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.1	177.3	-54.5	-32.9	0	0	0	114.5	N288 L300	N286-N288 VanDerWaalsContact C-N 3.31Å; N286-N288 PolarHBondContact O-N 3.4Å; N286-L300 PolarHBondContact N-O 3.46Å
287	G	86	Confident	89.4	Confident	44 Å²	44	30 Å²	30	45%	0.454	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	13.1	-176.6	0	0	0	0	0	115.1	G285 R302	G285-G287 PolarHBondContact O-N 3.37Å; G285-G287 VanDerWaalsContact O-N 3.16Å; G287-R302 WeakPolarHBondContact O-CB 3.41Å
288	N	95.3	Very high	88.9	Confident	44 Å²	44	32.3 Å²	32.3	24%	0.235	19%	0.192	C	C	.	.	S	Bend	trans	-84.2	-179.6	170.3	-61.3	-70.5	0	0	0	111.3	E282 S283 G285 N286 T290 P301 R302	E282-N288 HydrophobicContact CB-CB 4.09Å; E282-N288 HydrophobicContact CG-CB 4.25Å; E282-N288 WeakPolarHBondContact OE2-CB 3.38Å; S283-N288 WeakPolarHBondContact O-CB 3.39Å; S283-N288 PolarHBondContact O-ND2 2.92Å; S283-N288 VanDerWaalsContact O-ND2 3.13Å; S283-N288 PolarHBondContact OG-ND2 3.36Å; G285-N288 VanDerWaalsContact O-CB 3.28Å; G285-N288 WeakPolarHBondContact O-CB 3.48Å; G285-N288 PolarHBondContact O-N 2.9Å; G285-N288 PolarHBondContact O-ND2 2.97Å; N286-N288 VanDerWaalsContact C-N 3.31Å; N286-N288 PolarHBondContact O-N 3.4Å; N288-T290 VanDerWaalsContact C-N 3.33Å; N288-T290 PolarHBondContact O-N 2.99Å; N288-P301 CarbonylContact O-C 3.5Å; N288-P301 WeakPolarHBondContact O-CA 3.36Å; N288-P301 VanDerWaalsContact O-CB 3.25Å; N288-P301 WeakPolarHBondContact O-CB 3.27Å; N288-R302 WeakPolarHBondContact O-CG 3.33Å; N288-R302 PolarHBondContact O-N 2.93Å
289	S	96.9	Very high	88.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-65.8	-32.3	-172.5	70.4	0	0	0	0	114.1	R280 E282 S306 I307	R280-S289 WeakPolarHBondContact CD-OG 3.46Å; R280-S289 PolarHBondContact NE-OG 3Å; E282-S289 WeakPolarHBondContact OE2-CA 3.49Å; E282-S289 WeakPolarHBondContact OE2-CB 3.33Å; E282-S289 PolarHBondContact OE2-N 2.79Å; E282-S289 PolarHBondContact OE2-OG 2.8Å; S289-S306 CarbonylContact O-C 3.34Å; S289-S306 WeakPolarHBondContact O-CA 3.23Å; S289-S306 WeakPolarHBondContact O-CB 3.48Å; S289-I307 PolarHBondContact O-N 2.84Å
290	T	97.9	Very high	88.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.4	-168.5	-54.2	0	0	0	0	111.4	A273 V276 G285 N288 I307 Y309	A273-T290 HydrophobicContact CB-CG2 4.35Å; V276-T290 HydrophobicContact CB-CG2 4.04Å; V276-T290 HydrophobicContact CG1-CG2 3.82Å; G285-T290 PolarHBondContact N-O 2.93Å; N288-T290 VanDerWaalsContact C-N 3.33Å; N288-T290 PolarHBondContact O-N 2.99Å; T290-I307 WeakPolarHBondContact CA-O 3.26Å; T290-I307 HydrophobicContact CG2-CB 4.38Å; T290-I307 HydrophobicContact CG2-CG2 4.44Å; T290-Y309 HydrophobicContact CG2-CD2 4.2Å; T290-Y309 HydrophobicContact CG2-CE2 4.06Å
291	G	96.8	Very high	88.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	-176.7	178.8	0	0	0	0	0	112.4	A273 R299 I307 Y309	A273-G291 WeakPolarHBondContact CB-O 3.3Å; G291-R299 CarbonylContact C-O 3.41Å; G291-R299 WeakPolarHBondContact CA-O 3.36Å; G291-I307 PolarHBondContact N-O 3.21Å; G291-Y309 PolarHBondContact O-N 3.21Å
292	Y	94.4	Very high	88.5	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.2	174.9	68.3	-96.1	0	0	0	113.2	A269 I270 A273 I294 Q297 S298 R299 Y309	A269-Y292 WeakPolarHBondContact O-CB 3.09Å; I270-Y292 HydrophobicContact CB-CE1 4.39Å; I270-Y292 HydrophobicContact CG1-CD1 4.46Å; I270-Y292 HydrophobicContact CG1-CD2 4.03Å; I270-Y292 HydrophobicContact CG1-CE1 4.24Å; I270-Y292 HydrophobicContact CG1-CE2 3.81Å; I270-Y292 HydrophobicContact CG1-CG 4.36Å; I270-Y292 HydrophobicContact CG2-CD1 4.49Å; I270-Y292 HydrophobicContact CG2-CE1 3.99Å; A273-Y292 HydrophobicContact CB-CD1 3.96Å; A273-Y292 HydrophobicContact CB-CG 4.39Å; Y292-I294 HydrophobicContact CD2-CG1 4.31Å; Y292-I294 HydrophobicContact CE2-CG1 4.33Å; Y292-Q297 HydrophobicContact CE2-CG 4.11Å; Y292-Q297 PolarHBondContact OH-NE2 2.56Å; Y292-S298 WeakPolarHBondContact O-CA 3.32Å; Y292-R299 HydrophobicContact CD1-CB 4.2Å; Y292-R299 HydrophobicContact CE1-CB 3.84Å; Y292-R299 HydrophobicContact CE1-CG 4.04Å; Y292-R299 PolarHBondContact N-O 2.75Å; Y292-R299 CarbonylContact O-C 3.57Å; Y292-R299 PolarHBondContact O-N 3.39Å; Y292-Y309 CarbonylContact C-O 3.54Å; Y292-Y309 WeakPolarHBondContact CA-O 3.37Å; Y292-Y309 VanDerWaalsContact CB-O 3.3Å; Y292-Y309 WeakPolarHBondContact CB-O 3.37Å
293	Q	90.1	Very high	88.2	Confident	4 Å²	4	40 Å²	40	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	115.9	169	-174	172.3	-3.3	0	0	109.5	D166 L300 L308 Y309 C310 I314 W318	D166-Q293 PolarHBondContact OD2-NE2 3.25Å; Q293-L300 HydrophobicContact CB-CD2 4.01Å; Q293-L300 HydrophobicContact CG-CD2 4.34Å; Q293-L308 HydrophobicContact CB-CD1 4.05Å; Q293-Y309 PolarHBondContact N-O 2.9Å; Q293-C310 WeakPolarHBondContact O-CA 3.5Å; Q293-C310 WeakPolarHBondContact O-CB 3.47Å; Q293-I314 HydrophobicContact CG-CG2 4.34Å; Q293-W318 VanDerWaalsContact OE1-CZ2 3.29Å
294	I	81.8	Confident	88.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.8	171.8	60.3	169	0	0	0	108.1	R266 A269 I270 Y292 L296 Q297 T311	R266-I294 HydrophobicContact CB-CD1 3.94Å; R266-I294 HydrophobicContact CB-CG2 4.48Å; R266-I294 HydrophobicContact CG-CB 4.38Å; R266-I294 HydrophobicContact CG-CD1 4.29Å; A269-I294 HydrophobicContact CB-CG2 3.63Å; I270-I294 HydrophobicContact CD1-CD1 3.69Å; I270-I294 HydrophobicContact CG1-CD1 3.99Å; Y292-I294 HydrophobicContact CD2-CG1 4.31Å; Y292-I294 HydrophobicContact CE2-CG1 4.33Å; I294-L296 PolarHBondContact O-N 2.89Å; I294-L296 VanDerWaalsContact O-N 3.11Å; I294-Q297 HydrophobicContact CD1-CB 4.2Å; I294-Q297 HydrophobicContact CG1-CB 3.92Å; I294-Q297 WeakPolarHBondContact CG1-O 3.38Å; I294-Q297 PolarHBondContact N-O 2.86Å; I294-Q297 CarbonylContact O-C 3.44Å; I294-Q297 PolarHBondContact O-N 3.23Å; I294-T311 HydrophobicContact CG2-CG2 4.06Å
295	R	69.8	Low	88.2	Confident	70 Å²	70	37.5 Å²	37.5	26%	0.264	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	122.6	176.5	178.9	170.5	171.7	176.7	4.8	111.1	R266 Q297 P697 H804	R266-R295 PolarHBondContact NH2-O 3.45Å; R295-Q297 PolarHBondContact O-N 2.89Å; R295-P697 PolarHBondContact NH1-O 2.83Å; R295-P697 PolarHBondContact NH2-O 2.96Å; R295-H804 PolarHBondContact NE-CE1 3.4Å; R295-H804 PolarHBondContact NE-NE2 3.09Å; R295-H804 PolarHBondContact NH2-CD2 2.79Å; R295-H804 VanDerWaalsContact NH2-CD2 3.29Å; R295-H804 PolarHBondContact NH2-NE2 2.89Å
296	L	60	Low	88.3	Confident	87 Å²	87	37.6 Å²	37.6	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	11.3	178.4	-55.9	166.9	0	0	0	116	I294 Q800 E803	I294-L296 PolarHBondContact O-N 2.89Å; I294-L296 VanDerWaalsContact O-N 3.11Å; L296-Q800 HydrophobicContact CD1-CB 3.86Å; L296-Q800 HydrophobicContact CD1-CG 3.6Å; L296-E803 HydrophobicContact CD2-CB 4.35Å
297	Q	70.5	Confident	88.8	Confident	76 Å²	76	31.4 Å²	31.4	36%	0.355	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	119.6	177.2	-171.8	-174.4	-8.6	0	0	111.2	Y292 I294 R295	Y292-Q297 HydrophobicContact CE2-CG 4.11Å; Y292-Q297 PolarHBondContact OH-NE2 2.56Å; I294-Q297 HydrophobicContact CD1-CB 4.2Å; I294-Q297 HydrophobicContact CG1-CB 3.92Å; I294-Q297 WeakPolarHBondContact CG1-O 3.38Å; I294-Q297 PolarHBondContact N-O 2.86Å; I294-Q297 CarbonylContact O-C 3.44Å; I294-Q297 PolarHBondContact O-N 3.23Å; R295-Q297 PolarHBondContact O-N 2.89Å
298	S	84.5	Confident	89.4	Confident	48 Å²	48	29.5 Å²	29.5	34%	0.336	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.4	176	63.8	0	0	0	0	111.9	Y292	Y292-S298 WeakPolarHBondContact O-CA 3.32Å
299	R	89.3	Confident	89.5	Confident	112 Å²	112	27.4 Å²	27.4	42%	0.423	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	78.7	161.4	-79.3	-168.7	177.2	161.3	-1.2	106.2	E274 G285 G291 Y292	E274-R299 IonicContact OE1-NH1 2.83Å; E274-R299 PolarHBondContact OE1-NH1 2.84Å; G285-R299 WeakPolarHBondContact CA-O 3.46Å; G291-R299 CarbonylContact C-O 3.41Å; G291-R299 WeakPolarHBondContact CA-O 3.36Å; Y292-R299 HydrophobicContact CD1-CB 4.2Å; Y292-R299 HydrophobicContact CE1-CB 3.84Å; Y292-R299 HydrophobicContact CE1-CG 4.04Å; Y292-R299 PolarHBondContact N-O 2.75Å; Y292-R299 CarbonylContact O-C 3.57Å; Y292-R299 PolarHBondContact O-N 3.39Å
300	L	93.1	Very high	89.4	Confident	39 Å²	39	27.4 Å²	27.4	20%	0.204	13%	0.127	C	C	.	.			trans	-65.5	140.1	-172.1	-58.9	179.3	0	0	0	111.4	Y169 G285 N286 Q293 L308	Y169-L300 HydrophobicContact CD1-CD1 4.43Å; Y169-L300 HydrophobicContact CD2-CD1 4.21Å; Y169-L300 HydrophobicContact CG-CD1 3.99Å; G285-L300 CarbonylContact C-O 3.56Å; G285-L300 VanDerWaalsContact CA-O 3.22Å; G285-L300 WeakPolarHBondContact CA-O 3.49Å; N286-L300 PolarHBondContact N-O 3.46Å; Q293-L300 HydrophobicContact CB-CD2 4.01Å; Q293-L300 HydrophobicContact CG-CD2 4.34Å; L300-L308 HydrophobicContact CD2-CD1 4.13Å
301	P	95.2	Very high	89.1	Confident	7 Å²	7	28.3 Å²	28.3	5%	0.045	13%	0.133	C	C	.	.			trans	-74.1	-177.1	170.9	34.5	-34.8	0	0	0	110.5	N288 L308	N288-P301 CarbonylContact O-C 3.5Å; N288-P301 WeakPolarHBondContact O-CA 3.36Å; N288-P301 VanDerWaalsContact O-CB 3.25Å; N288-P301 WeakPolarHBondContact O-CB 3.27Å; P301-L308 HydrophobicContact CG-CB 4.4Å; P301-L308 HydrophobicContact CG-CD1 4.41Å
302	R	92.4	Very high	88.9	Confident	43 Å²	43	28.6 Å²	28.6	16%	0.162	14%	0.135	C	C	.	.			trans	-58	154.9	164.2	57.8	-172.4	178.4	-129	2.2	111.7	Y169 L184 G287 N288 Q304 G305 S306	Y169-R302 PolarHBondContact OH-O 2.82Å; L184-R302 VanDerWaalsContact CD2-CZ 3.46Å; G287-R302 WeakPolarHBondContact O-CB 3.41Å; N288-R302 WeakPolarHBondContact O-CG 3.33Å; N288-R302 PolarHBondContact O-N 2.93Å; R302-Q304 WeakPolarHBondContact CD-O 3.3Å; R302-Q304 VanDerWaalsContact CG-O 3.31Å; R302-Q304 WeakPolarHBondContact CG-O 3.25Å; R302-Q304 PolarHBondContact NE-O 2.91Å; R302-Q304 PolarHBondContact O-N 3.06Å; R302-G305 VanDerWaalsContact CZ-O 3.26Å; R302-G305 PolarHBondContact NE-O 3.49Å; R302-G305 PolarHBondContact NH2-O 3.21Å; R302-S306 WeakPolarHBondContact O-CB 3.28Å; R302-S306 PolarHBondContact O-OG 2.89Å
303	K	88.8	Confident	88.5	Confident	57 Å²	57	30.3 Å²	30.3	25%	0.248	15%	0.153	C	C	.	.	S	Bend	trans	-56.9	-50.3	179.6	-172.7	-170.6	170.1	-172.5	0	112.7	Q172 E173 R258 S306	Q172-K303 VanDerWaalsContact OE1-CE 3.26Å; E173-K303 WeakPolarHBondContact O-CE 3.32Å; E173-K303 PolarHBondContact O-NZ 2.84Å; R258-K303 WeakPolarHBondContact CD-O 3.27Å; R258-K303 WeakPolarHBondContact CG-O 3.4Å; R258-K303 PolarHBondContact NH1-O 2.76Å; K303-S306 PolarHBondContact O-OG 2.88Å
304	Q	92.8	Very high	88.3	Confident	22 Å²	22	30.4 Å²	30.4	10%	0.103	15%	0.153	C	C	.	.	S	Bend	trans	-119.2	149.1	-171.3	-78.8	178.2	-58.1	0	0	112.3	E175 L180 S255 R302	E175-Q304 PolarHBondContact O-NE2 3.47Å; L180-Q304 HydrophobicContact CD2-CB 3.59Å; S255-Q304 WeakPolarHBondContact O-CB 3.44Å; S255-Q304 VanDerWaalsContact O-CG 3.31Å; S255-Q304 WeakPolarHBondContact O-CG 3.41Å; S255-Q304 PolarHBondContact O-NE2 2.84Å; R302-Q304 WeakPolarHBondContact CD-O 3.3Å; R302-Q304 VanDerWaalsContact CG-O 3.31Å; R302-Q304 WeakPolarHBondContact CG-O 3.25Å; R302-Q304 PolarHBondContact NE-O 2.91Å; R302-Q304 PolarHBondContact O-N 3.06Å
305	G	95.3	Very high	88.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	63.4	51.6	-172.9	0	0	0	0	0	111.9	L245 G254 C257 R302	L245-G305 VanDerWaalsContact CD1-C 3.43Å; G254-G305 WeakPolarHBondContact O-CA 3.32Å; G254-G305 PolarHBondContact O-N 2.94Å; C257-G305 CarbonylContact O-C 3.55Å; C257-G305 WeakPolarHBondContact O-CA 3.31Å; C257-G305 PolarHBondContact O-N 3.34Å; R302-G305 VanDerWaalsContact CZ-O 3.26Å; R302-G305 PolarHBondContact NE-O 3.49Å; R302-G305 PolarHBondContact NH2-O 3.21Å
306	S	96.6	Very high	89.7	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.4	-168.9	57.3	0	0	0	0	115.5	C257 I259 S289 R302 K303	C257-S306 PolarHBondContact O-N 2.76Å; I259-S306 PolarHBondContact N-O 2.86Å; S289-S306 CarbonylContact O-C 3.34Å; S289-S306 WeakPolarHBondContact O-CA 3.23Å; S289-S306 WeakPolarHBondContact O-CB 3.48Å; R302-S306 WeakPolarHBondContact O-CB 3.28Å; R302-S306 PolarHBondContact O-OG 2.89Å; K303-S306 PolarHBondContact O-OG 2.88Å
307	I	98.5	Very high	90.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.3	174.8	-61.4	157.8	0	0	0	108.3	T241 Q242 L245 I259 S289 T290 G291 Y309	T241-I307 HydrophobicContact CG2-CG2 4.19Å; Q242-I307 HydrophobicContact CG-CD1 4.22Å; L245-I307 HydrophobicContact CB-CD1 4.15Å; L245-I307 HydrophobicContact CB-CG1 4.33Å; L245-I307 HydrophobicContact CD2-CD1 3.8Å; L245-I307 HydrophobicContact CD2-CG1 3.96Å; I259-I307 HydrophobicContact CB-CG1 4.26Å; I259-I307 HydrophobicContact CD1-CG1 4Å; I259-I307 WeakPolarHBondContact O-CA 3.45Å; S289-I307 PolarHBondContact O-N 2.84Å; T290-I307 WeakPolarHBondContact CA-O 3.26Å; T290-I307 HydrophobicContact CG2-CB 4.38Å; T290-I307 HydrophobicContact CG2-CG2 4.44Å; G291-I307 PolarHBondContact N-O 3.21Å; I307-Y309 HydrophobicContact CG2-CD2 3.93Å; I307-Y309 HydrophobicContact CG2-CE2 3.43Å; I307-Y309 VanDerWaalsContact CG2-CE2 3.43Å
308	L	97.8	Very high	91.5	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.2	175.7	-179.5	65.2	0	0	0	110.1	Y169 I259 V260 C261 Q293 L300 P301 W318	Y169-L308 HydrophobicContact CE1-CD2 4.12Å; I259-L308 PolarHBondContact O-N 2.88Å; V260-L308 WeakPolarHBondContact CA-O 3.39Å; C261-L308 PolarHBondContact N-O 3.23Å; Q293-L308 HydrophobicContact CB-CD1 4.05Å; L300-L308 HydrophobicContact CD2-CD1 4.13Å; P301-L308 HydrophobicContact CG-CB 4.4Å; P301-L308 HydrophobicContact CG-CD1 4.41Å; L308-W318 HydrophobicContact CD2-CH2 3.67Å; L308-W318 HydrophobicContact CD2-CZ2 4.24Å
309	Y	97.4	Very high	91.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.2	171	-70.1	-86.7	0	0	0	110.6	T237 T241 C261 Q263 V272 A273 V276 T290 G291 Y292 Q293 I307	T237-Y309 PolarHBondContact O-OH 3Å; T241-Y309 HydrophobicContact CG2-CE1 4.37Å; T241-Y309 PolarHBondContact OG1-OH 3.25Å; C261-Y309 HydrophobicContact CB-CD1 3.63Å; C261-Y309 HydrophobicContact CB-CE1 3.64Å; C261-Y309 HydrophobicContact CB-CG 4.44Å; C261-Y309 CarbonylContact O-C 3.55Å; C261-Y309 WeakPolarHBondContact O-CA 3.46Å; C261-Y309 VanDerWaalsContact SG-CE1 3.57Å; Q263-Y309 HydrophobicContact CG-CD1 4.32Å; V272-Y309 HydrophobicContact CB-CD1 4.32Å; V272-Y309 HydrophobicContact CB-CE1 4.31Å; V272-Y309 HydrophobicContact CG1-CD1 3.8Å; V272-Y309 HydrophobicContact CG1-CD2 4.34Å; V272-Y309 HydrophobicContact CG1-CE1 3.32Å; V272-Y309 HydrophobicContact CG1-CE2 3.92Å; V272-Y309 HydrophobicContact CG1-CG 4.29Å; A273-Y309 HydrophobicContact CB-CD2 3.82Å; A273-Y309 HydrophobicContact CB-CG 4.35Å; V276-Y309 HydrophobicContact CB-CE2 4.38Å; V276-Y309 HydrophobicContact CG2-CE2 4.29Å; T290-Y309 HydrophobicContact CG2-CD2 4.2Å; T290-Y309 HydrophobicContact CG2-CE2 4.06Å; G291-Y309 PolarHBondContact O-N 3.21Å; Y292-Y309 CarbonylContact C-O 3.54Å; Y292-Y309 WeakPolarHBondContact CA-O 3.37Å; Y292-Y309 VanDerWaalsContact CB-O 3.3Å; Y292-Y309 WeakPolarHBondContact CB-O 3.37Å; Q293-Y309 PolarHBondContact N-O 2.9Å; I307-Y309 HydrophobicContact CG2-CD2 3.93Å; I307-Y309 HydrophobicContact CG2-CE2 3.43Å; I307-Y309 VanDerWaalsContact CG2-CE2 3.43Å
310	C	95.1	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	164.1	-178.2	65.3	0	0	0	0	112.4	C261 T262 Q263 Q293 I314	C261-C310 PolarHBondContact O-N 3.35Å; T262-C310 CarbonylContact C-O 3.58Å; T262-C310 VanDerWaalsContact CA-O 3.31Å; T262-C310 WeakPolarHBondContact CA-O 3.44Å; Q263-C310 PolarHBondContact N-O 3.23Å; Q293-C310 WeakPolarHBondContact O-CA 3.5Å; Q293-C310 WeakPolarHBondContact O-CB 3.47Å; C310-I314 HydrophobicContact CB-CB 4.31Å; C310-I314 HydrophobicContact CB-CG2 4.21Å
311	T	91.4	Very high	90.6	Very high	19 Å²	19	21.5 Å²	21.5	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	144	168.4	42.8	0	0	0	0	111.1	Q263 R266 I294 G313 I314	Q263-T311 WeakPolarHBondContact O-CA 3.43Å; R266-T311 HydrophobicContact CB-CG2 4.39Å; R266-T311 HydrophobicContact CG-CG2 3.88Å; I294-T311 HydrophobicContact CG2-CG2 4.06Å; T311-G313 PolarHBondContact O-N 3.26Å; T311-I314 VanDerWaalsContact O-CB 3.3Å; T311-I314 WeakPolarHBondContact O-CB 3.49Å; T311-I314 PolarHBondContact O-N 2.7Å; T311-I314 WeakPolarHBondContact OG1-CG1 3.06Å
312	T	91.5	Very high	90.1	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-46.6	-42.1	-179.2	-46.9	0	0	0	0	114.1	Q263 I314 I315 L316 Q342 L346	Q263-T312 PolarHBondContact O-N 2.71Å; T312-I314 PolarHBondContact O-N 3.2Å; T312-I315 PolarHBondContact O-N 2.96Å; T312-I315 VanDerWaalsContact O-N 3.1Å; T312-L316 PolarHBondContact O-N 3.41Å; T312-Q342 HydrophobicContact CG2-CB 4.08Å; T312-Q342 WeakPolarHBondContact CG2-O 3.31Å; T312-L346 HydrophobicContact CG2-CB 4.05Å; T312-L346 HydrophobicContact CG2-CD2 3.67Å
313	G	86.3	Confident	89.8	Confident	38 Å²	38	23.9 Å²	23.9	39%	0.392	14%	0.137	S	C	.	.	H	α-helix	trans	-62.5	-20.7	177.8	0	0	0	0	0	115.6	T311 Q317	T311-G313 PolarHBondContact O-N 3.26Å; G313-Q317 PolarHBondContact O-N 2.92Å
314	I	87.4	Confident	89.8	Confident	7 Å²	7	23.4 Å²	23.4	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-69.8	-39.5	173.8	-70.1	-70.4	0	0	0	110.5	Q293 C310 T311 T312 Q317 W318	Q293-I314 HydrophobicContact CG-CG2 4.34Å; C310-I314 HydrophobicContact CB-CB 4.31Å; C310-I314 HydrophobicContact CB-CG2 4.21Å; T311-I314 VanDerWaalsContact O-CB 3.3Å; T311-I314 WeakPolarHBondContact O-CB 3.49Å; T311-I314 PolarHBondContact O-N 2.7Å; T311-I314 WeakPolarHBondContact OG1-CG1 3.06Å; T312-I314 PolarHBondContact O-N 3.2Å; I314-Q317 WeakPolarHBondContact O-CB 3.35Å; I314-Q317 PolarHBondContact O-N 2.82Å; I314-W318 HydrophobicContact CG2-CD2 4.22Å; I314-W318 HydrophobicContact CG2-CH2 4.29Å; I314-W318 HydrophobicContact CG2-CZ2 3.36Å; I314-W318 VanDerWaalsContact CG2-NE1 3.29Å; I314-W318 VanDerWaalsContact O-CG 3.23Å; I314-W318 PolarHBondContact O-N 2.9Å
315	I	91.4	Very high	89.7	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-41.6	175	-53.9	-56.2	0	0	0	111	V260 T262 T312 Q317 W318 L319 L325 I331 L346	V260-I315 HydrophobicContact CG1-CD1 3.64Å; T262-I315 HydrophobicContact CG2-CD1 4.47Å; T262-I315 HydrophobicContact CG2-CG1 3.62Å; T312-I315 PolarHBondContact O-N 2.96Å; T312-I315 VanDerWaalsContact O-N 3.1Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 3.45Å; I315-W318 HydrophobicContact CD1-CD2 4.36Å; I315-W318 HydrophobicContact CD1-CE3 3.66Å; I315-W318 HydrophobicContact CD1-CH2 4.04Å; I315-W318 HydrophobicContact CD1-CZ3 3.49Å; I315-W318 VanDerWaalsContact CD1-CZ3 3.49Å; I315-W318 PolarHBondContact O-N 3.48Å; I315-W318 VanDerWaalsContact O-N 3.13Å; I315-L319 HydrophobicContact CG2-CD1 4.18Å; I315-L319 HydrophobicContact CG2-CG 4.48Å; I315-L319 WeakPolarHBondContact O-CG 3.31Å; I315-L319 PolarHBondContact O-N 2.91Å; I315-L325 HydrophobicContact CG2-CD1 3.82Å; I315-L325 HydrophobicContact CG2-CD2 4.29Å; I315-I331 HydrophobicContact CG2-CD1 4.38Å; I315-L346 HydrophobicContact CB-CD1 4.29Å; I315-L346 HydrophobicContact CB-CD2 4Å; I315-L346 HydrophobicContact CG1-CD2 4.27Å; I315-L346 HydrophobicContact CG2-CD1 3.63Å; I315-L346 HydrophobicContact CG2-CD2 4.04Å
316	L	87.8	Confident	89.3	Confident	8 Å²	8	25.9 Å²	25.9	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-32.3	177.3	-64.9	168.8	0	0	0	112.3	T312 L319 Q342 V345 L346 L646	T312-L316 PolarHBondContact O-N 3.41Å; L316-L319 HydrophobicContact CD2-CD1 4.06Å; L316-Q342 HydrophobicContact CD1-CB 4.04Å; L316-Q342 HydrophobicContact CD1-CG 4.45Å; L316-V345 HydrophobicContact CD2-CG1 4.4Å; L316-L346 HydrophobicContact CD2-CB 4.3Å; L316-L346 HydrophobicContact CD2-CD1 4.09Å; L316-L646 HydrophobicContact CD2-CD1 4.24Å
317	Q	81.9	Confident	88.9	Confident	95 Å²	95	26 Å²	26	44%	0.444	16%	0.16	S	C	.	.	H	α-helix	trans	-67.8	-43.2	169	-172.2	-178.7	-11.4	0	0	111.6	G313 I314 I315 L319 Q320	G313-Q317 PolarHBondContact O-N 2.92Å; I314-Q317 WeakPolarHBondContact O-CB 3.35Å; I314-Q317 PolarHBondContact O-N 2.82Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 3.45Å; Q317-L319 VanDerWaalsContact C-N 3.32Å; Q317-L319 PolarHBondContact O-N 3.19Å; Q317-Q320 WeakPolarHBondContact O-CB 3.4Å; Q317-Q320 PolarHBondContact O-N 2.98Å
318	W	86.5	Confident	88.7	Confident	18 Å²	18	26.2 Å²	26.2	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-35.1	178.3	-62.5	-6.1	0	0	0	113.1	L170 V260 Q293 L308 I314 I315 Q320 S321 D322 L325	L170-W318 VanDerWaalsContact CD1-CD1 3.47Å; L170-W318 HydrophobicContact CD1-CD2 3.63Å; L170-W318 VanDerWaalsContact CD1-CE2 3.42Å; L170-W318 HydrophobicContact CD1-CE3 4.4Å; L170-W318 HydrophobicContact CD1-CG 3.71Å; L170-W318 HydrophobicContact CD1-CZ2 4.11Å; L170-W318 VanDerWaalsContact CD1-NE1 3.27Å; L170-W318 HydrophobicContact CD2-CD2 3.7Å; L170-W318 HydrophobicContact CD2-CE3 3.62Å; L170-W318 HydrophobicContact CD2-CH2 3.65Å; L170-W318 HydrophobicContact CD2-CZ2 3.69Å; L170-W318 HydrophobicContact CD2-CZ3 3.59Å; L170-W318 HydrophobicContact CG-CD2 4.32Å; L170-W318 HydrophobicContact CG-CZ2 4.48Å; V260-W318 HydrophobicContact CG1-CH2 4.25Å; V260-W318 HydrophobicContact CG1-CZ3 4.1Å; V260-W318 HydrophobicContact CG2-CZ3 4.32Å; Q293-W318 VanDerWaalsContact OE1-CZ2 3.29Å; L308-W318 HydrophobicContact CD2-CH2 3.67Å; L308-W318 HydrophobicContact CD2-CZ2 4.24Å; I314-W318 HydrophobicContact CG2-CD2 4.22Å; I314-W318 HydrophobicContact CG2-CH2 4.29Å; I314-W318 HydrophobicContact CG2-CZ2 3.36Å; I314-W318 VanDerWaalsContact CG2-NE1 3.29Å; I314-W318 VanDerWaalsContact O-CG 3.23Å; I314-W318 PolarHBondContact O-N 2.9Å; I315-W318 HydrophobicContact CD1-CD2 4.36Å; I315-W318 HydrophobicContact CD1-CE3 3.66Å; I315-W318 HydrophobicContact CD1-CH2 4.04Å; I315-W318 HydrophobicContact CD1-CZ3 3.49Å; I315-W318 VanDerWaalsContact CD1-CZ3 3.49Å; I315-W318 PolarHBondContact O-N 3.48Å; I315-W318 VanDerWaalsContact O-N 3.13Å; W318-Q320 PolarHBondContact O-N 3.21Å; W318-Q320 VanDerWaalsContact O-N 3.09Å; W318-S321 WeakPolarHBondContact O-CA 3.45Å; W318-S321 PolarHBondContact O-N 3.45Å; W318-D322 PolarHBondContact O-N 3.16Å; W318-L325 HydrophobicContact CB-CD2 4.23Å; W318-L325 HydrophobicContact CE3-CD2 4.38Å
319	L	87.1	Confident	88.6	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.037	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.4	176.5	-75.1	161.9	0	0	0	113	I315 L316 Q317 P323 L325 L346 V349 L646	I315-L319 HydrophobicContact CG2-CD1 4.18Å; I315-L319 HydrophobicContact CG2-CG 4.48Å; I315-L319 WeakPolarHBondContact O-CG 3.31Å; I315-L319 PolarHBondContact O-N 2.91Å; L316-L319 HydrophobicContact CD2-CD1 4.06Å; Q317-L319 VanDerWaalsContact C-N 3.32Å; Q317-L319 PolarHBondContact O-N 3.19Å; L319-P323 WeakPolarHBondContact CD2-O 3.34Å; L319-P323 WeakPolarHBondContact O-CA 3.31Å; L319-P323 WeakPolarHBondContact O-CG 3.31Å; L319-L325 HydrophobicContact CD2-CD1 4.17Å; L319-L325 HydrophobicContact CD2-CD2 4.05Å; L319-L325 HydrophobicContact CD2-CG 3.81Å; L319-L325 HydrophobicContact CG-CD2 4.17Å; L319-L325 HydrophobicContact CG-CG 4.39Å; L319-L346 HydrophobicContact CD1-CD1 3.88Å; L319-V349 HydrophobicContact CD1-CG1 3.84Å; L319-V349 HydrophobicContact CD2-CG1 4.23Å; L319-L646 VanDerWaalsContact C-CD2 3.47Å; L319-L646 HydrophobicContact CB-CD2 3.58Å
320	Q	81	Confident	88.7	Confident	62 Å²	62	27.2 Å²	27.2	29%	0.29	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.1	169.8	-55.6	-177.6	10	0	0	112.9	Q317 W318 I645 L646	Q317-Q320 WeakPolarHBondContact O-CB 3.4Å; Q317-Q320 PolarHBondContact O-N 2.98Å; W318-Q320 PolarHBondContact O-N 3.21Å; W318-Q320 VanDerWaalsContact O-N 3.09Å; Q320-I645 HydrophobicContact CG-CG2 4.46Å; Q320-L646 HydrophobicContact CB-CD2 4.42Å; Q320-L646 HydrophobicContact CG-CD2 3.67Å
321	S	80.1	Confident	88.8	Confident	54 Å²	54	27.2 Å²	27.2	38%	0.378	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-38.2	-177.1	-59.9	0	0	0	0	113.1	W318	W318-S321 WeakPolarHBondContact O-CA 3.45Å; W318-S321 PolarHBondContact O-N 3.45Å
322	D	84.4	Confident	89.1	Confident	20 Å²	20	26.3 Å²	26.3	11%	0.107	16%	0.163	C	C	.	.			trans	-132.4	85	173.6	-177.1	-2.6	0	0	0	109.4	L171 W318 C324 L325 S326	L171-D322 HydrophobicContact CD2-CB 4Å; W318-D322 PolarHBondContact O-N 3.16Å; D322-C324 PolarHBondContact O-N 2.72Å; D322-C324 WeakPolarHBondContact OD1-CA 3.32Å; D322-C324 WeakPolarHBondContact OD1-CB 3.36Å; D322-C324 PolarHBondContact OD1-N 2.96Å; D322-C324 VanDerWaalsContact OD1-N 3.08Å; D322-L325 PolarHBondContact O-N 2.86Å; D322-L325 VanDerWaalsContact O-N 3.09Å; D322-L325 PolarHBondContact OD1-N 2.86Å; D322-L325 VanDerWaalsContact OD1-N 3.1Å; D322-S326 PolarHBondContact OD1-N 3.25Å; D322-S326 VanDerWaalsContact OD2-CB 3.3Å; D322-S326 WeakPolarHBondContact OD2-CB 3.41Å; D322-S326 PolarHBondContact OD2-N 3.21Å; D322-S326 PolarHBondContact OD2-OG 3.23Å
323	P	86.8	Confident	89.4	Confident	81 Å²	81	26.2 Å²	26.2	53%	0.526	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.5	177.4	-23.1	32.6	0	0	0	113.9	L319	L319-P323 WeakPolarHBondContact CD2-O 3.34Å; L319-P323 WeakPolarHBondContact O-CA 3.31Å; L319-P323 WeakPolarHBondContact O-CG 3.31Å
324	C	88.3	Confident	89.8	Confident	46 Å²	46	24.5 Å²	24.5	31%	0.311	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.6	-178.4	-69.2	0	0	0	0	113.5	D322 S326 L353 R357	D322-C324 PolarHBondContact O-N 2.72Å; D322-C324 WeakPolarHBondContact OD1-CA 3.32Å; D322-C324 WeakPolarHBondContact OD1-CB 3.36Å; D322-C324 PolarHBondContact OD1-N 2.96Å; D322-C324 VanDerWaalsContact OD1-N 3.08Å; C324-S326 PolarHBondContact O-N 3.33Å; C324-L353 HydrophobicContact CB-CD1 4.49Å; C324-R357 PolarHBondContact O-NH1 3.39Å
325	L	90.5	Very high	90	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	15%	0.147	C	C	.	.			trans	44.4	45.6	-168.1	-59.2	177.1	0	0	0	111.9	I315 W318 L319 D322 S327 V328 I331 L353 R357	I315-L325 HydrophobicContact CG2-CD1 3.82Å; I315-L325 HydrophobicContact CG2-CD2 4.29Å; W318-L325 HydrophobicContact CB-CD2 4.23Å; W318-L325 HydrophobicContact CE3-CD2 4.38Å; L319-L325 HydrophobicContact CD2-CD1 4.17Å; L319-L325 HydrophobicContact CD2-CD2 4.05Å; L319-L325 HydrophobicContact CD2-CG 3.81Å; L319-L325 HydrophobicContact CG-CD2 4.17Å; L319-L325 HydrophobicContact CG-CG 4.39Å; D322-L325 PolarHBondContact O-N 2.86Å; D322-L325 VanDerWaalsContact O-N 3.09Å; D322-L325 PolarHBondContact OD1-N 2.86Å; D322-L325 VanDerWaalsContact OD1-N 3.1Å; L325-S327 PolarHBondContact O-N 2.86Å; L325-S327 VanDerWaalsContact O-N 3.12Å; L325-V328 HydrophobicContact CB-CB 4.38Å; L325-V328 HydrophobicContact CB-CG2 4.24Å; L325-V328 PolarHBondContact O-N 3.11Å; L325-I331 HydrophobicContact CD1-CD1 4.3Å; L325-L353 HydrophobicContact CB-CD2 4.34Å; L325-L353 HydrophobicContact CD1-CD2 4.28Å; L325-L353 HydrophobicContact CG-CD2 4.36Å; L325-R357 VanDerWaalsContact C-NH1 3.28Å; L325-R357 PolarHBondContact O-NH1 2.92Å
326	S	87.6	Confident	90	Very high	69 Å²	69	25.1 Å²	25.1	48%	0.483	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.8	-167.9	65.2	0	0	0	0	114	D322 C324	D322-S326 PolarHBondContact OD1-N 3.25Å; D322-S326 VanDerWaalsContact OD2-CB 3.3Å; D322-S326 WeakPolarHBondContact OD2-CB 3.41Å; D322-S326 PolarHBondContact OD2-N 3.21Å; D322-S326 PolarHBondContact OD2-OG 3.23Å; C324-S326 PolarHBondContact O-N 3.33Å
327	S	88.9	Confident	90.1	Very high	4 Å²	4	26 Å²	26	3%	0.028	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7	-179.7	76.5	0	0	0	0	114.9	L170 N174 R258 L325	L170-S327 WeakPolarHBondContact O-CB 3.34Å; L170-S327 PolarHBondContact O-OG 3.04Å; N174-S327 VanDerWaalsContact ND2-C 3.33Å; N174-S327 WeakPolarHBondContact ND2-CA 3.27Å; N174-S327 WeakPolarHBondContact ND2-CB 3.5Å; N174-S327 PolarHBondContact ND2-O 3.22Å; R258-S327 WeakPolarHBondContact CD-O 3.35Å; R258-S327 PolarHBondContact NE-O 3.03Å; R258-S327 PolarHBondContact NH2-OG 3.35Å; L325-S327 PolarHBondContact O-N 2.86Å; L325-S327 VanDerWaalsContact O-N 3.12Å
328	V	94	Very high	90.2	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.036	14%	0.138	C	C	.	.			trans	-102.5	131.8	176	-177.2	0	0	0	0	109.7	V260 L325 H330 I331 R357 L360	V260-V328 HydrophobicContact CB-CG1 4.19Å; V260-V328 HydrophobicContact CG2-CB 4.49Å; V260-V328 HydrophobicContact CG2-CG1 3.93Å; V260-V328 HydrophobicContact CG2-CG2 3.77Å; L325-V328 HydrophobicContact CB-CB 4.38Å; L325-V328 HydrophobicContact CB-CG2 4.24Å; L325-V328 PolarHBondContact O-N 3.11Å; V328-H330 WeakPolarHBondContact CG1-O 3.39Å; V328-I331 HydrophobicContact CG1-CB 4.44Å; V328-R357 PolarHBondContact O-NH2 2.73Å; V328-L360 HydrophobicContact CG1-CD1 4.27Å
329	S	95.6	Very high	90.4	Very high	22 Å²	22	23.6 Å²	23.6	15%	0.154	14%	0.139	C	C	.	.	S	Bend	trans	-100.9	-32.1	173.8	65.6	0	0	0	0	113.1	A256 R258 K361	A256-S329 PolarHBondContact O-OG 2.64Å; R258-S329 PolarHBondContact N-OG 2.97Å; R258-S329 PolarHBondContact O-N 3.44Å; R258-S329 VanDerWaalsContact O-N 3.11Å; R258-S329 PolarHBondContact O-OG 2.82Å; S329-K361 PolarHBondContact O-N 3.42Å
330	H	98.3	Very high	90.5	Very high	2 Å²	2	25 Å²	25	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.3	175.4	-59.5	69.5	0	0	0	110	Y248 R258 I259 V260 V328 K361 I363	Y248-H330 AromaticContact CE2-CE1 3.88Å; Y248-H330 AromaticContact CE2-NE2 3.97Å; Y248-H330 AromaticContact CZ-CE1 3.64Å; Y248-H330 PolarHBondContact OH-CE1 2.8Å; R258-H330 PolarHBondContact O-N 3.12Å; I259-H330 WeakPolarHBondContact CA-O 3.5Å; I259-H330 HydrophobicContact CB-CB 4.48Å; I259-H330 HydrophobicContact CG1-CB 4.12Å; I259-H330 HydrophobicContact CG2-CB 4.35Å; V260-H330 PolarHBondContact N-O 3.43Å; V328-H330 WeakPolarHBondContact CG1-O 3.39Å; H330-K361 WeakPolarHBondContact CA-O 3.24Å; H330-K361 HydrophobicContact CB-CB 4.41Å; H330-K361 VanDerWaalsContact CD2-CB 3.43Å; H330-K361 WeakPolarHBondContact CD2-CB 3.4Å; H330-I363 HydrophobicContact CB-CD1 4.33Å
331	I	97.9	Very high	90.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	168.1	-170.9	169.4	0	0	0	109.7	V260 I315 L325 V328 L333 V350 L360 K361 V362 I363	V260-I331 WeakPolarHBondContact O-CA 3.15Å; I315-I331 HydrophobicContact CG2-CD1 4.38Å; L325-I331 HydrophobicContact CD1-CD1 4.3Å; V328-I331 HydrophobicContact CG1-CB 4.44Å; I331-L333 HydrophobicContact CD1-CD2 3.92Å; I331-L333 HydrophobicContact CG1-CD2 3.9Å; I331-V350 HydrophobicContact CD1-CG2 4.07Å; I331-V350 HydrophobicContact CG2-CG1 4.31Å; I331-L360 HydrophobicContact CG2-CD1 4.24Å; I331-K361 PolarHBondContact N-O 3.5Å; I331-V362 HydrophobicContact CG2-CB 4.27Å; I331-V362 HydrophobicContact CG2-CG1 4.39Å; I331-V362 HydrophobicContact CG2-CG2 3.61Å; I331-V362 WeakPolarHBondContact O-CA 3.3Å; I331-I363 PolarHBondContact O-N 3.08Å
332	V	98.6	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.8	178.8	-174.8	0	0	0	0	107.9	T241 I259 V260 C261 T262 I363 M365	T241-V332 HydrophobicContact CG2-CG2 4.33Å; I259-V332 HydrophobicContact CG2-CG2 3.93Å; V260-V332 PolarHBondContact O-N 3.16Å; C261-V332 CarbonylContact C-O 3.6Å; C261-V332 VanDerWaalsContact CA-O 3.32Å; C261-V332 WeakPolarHBondContact CA-O 3.15Å; C261-V332 HydrophobicContact CB-CB 3.99Å; T262-V332 PolarHBondContact N-O 3.46Å; V332-I363 CarbonylContact C-O 3.6Å; V332-I363 WeakPolarHBondContact CA-O 3.45Å; V332-I363 HydrophobicContact CG1-CB 4.31Å; V332-I363 HydrophobicContact CG1-CG2 4.38Å; V332-I363 HydrophobicContact CG2-CB 4.21Å; V332-I363 HydrophobicContact CG2-CD1 4.2Å; V332-M365 HydrophobicContact CG1-CE 3.51Å; V332-M365 HydrophobicContact CG1-CG 4Å; V332-M365 HydrophobicContact CG1-SD 3.83Å
333	L	97.3	Very high	91.7	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.6	174.1	-55.2	-174.6	0	0	0	108.3	T262 I331 I336 L346 M347 I363 L364 M365	T262-L333 HydrophobicContact CG2-CD2 3.8Å; T262-L333 WeakPolarHBondContact OG1-CA 3.16Å; T262-L333 WeakPolarHBondContact OG1-CD2 3.48Å; I331-L333 HydrophobicContact CD1-CD2 3.92Å; I331-L333 HydrophobicContact CG1-CD2 3.9Å; L333-I336 HydrophobicContact CB-CG2 3.8Å; L333-I336 WeakPolarHBondContact O-CG2 3.47Å; L333-L346 HydrophobicContact CD2-CD2 3.66Å; L333-L346 HydrophobicContact CD2-CG 4.25Å; L333-M347 HydrophobicContact CD1-CG 3.69Å; L333-I363 PolarHBondContact N-O 3.18Å; L333-L364 HydrophobicContact CB-CD2 4Å; L333-L364 HydrophobicContact CD1-CD2 3.81Å; L333-L364 HydrophobicContact CG-CD2 4.18Å; L333-M365 PolarHBondContact O-N 2.86Å
334	D	95.1	Very high	92	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.011	10%	0.099	C	C	.	.			trans	-97.9	160.6	-178.2	-158.9	11.5	0	0	0	113	T237 T262 Q263 I336 M365	T237-D334 WeakPolarHBondContact CB-OD2 3.45Å; T237-D334 WeakPolarHBondContact CG2-OD2 3.33Å; T237-D334 PolarHBondContact OG1-OD2 2.84Å; T262-D334 VanDerWaalsContact O-CB 3.31Å; T262-D334 WeakPolarHBondContact O-CB 3.24Å; Q263-D334 PolarHBondContact NE2-OD2 2.88Å; D334-I336 PolarHBondContact O-N 3.3Å; D334-I336 VanDerWaalsContact O-N 3.09Å; D334-M365 HydrophobicContact CB-CE 3.81Å; D334-M365 WeakPolarHBondContact OD1-CB 3.38Å; D334-M365 VanDerWaalsContact OD1-CE 3.31Å; D334-M365 WeakPolarHBondContact OD1-CE 3.45Å
335	E	90.7	Very high	92.2	Very high	20 Å²	20	15.5 Å²	15.5	9%	0.093	9%	0.085	C	C	.	.	S	Bend	trans	54	26.3	178.1	-53.9	-70.3	152.5	0	0	113.7	P264 H337 E338 M365 T556	P264-E335 HydrophobicContact CG-CB 3.83Å; P264-E335 HydrophobicContact CG-CG 4.19Å; E335-H337 PolarHBondContact O-N 2.74Å; E335-H337 IonicContact OE2-CE1 3.79Å; E335-H337 PolarHBondContact OE2-CE1 3.2Å; E335-H337 IonicContact OE2-NE2 2.68Å; E335-E338 HydrophobicContact CB-CG 4.49Å; E335-E338 WeakPolarHBondContact O-CB 3.47Å; E335-E338 PolarHBondContact O-N 3.06Å; E335-M365 PolarHBondContact N-O 2.76Å; E335-T556 WeakPolarHBondContact OE2-CB 3.37Å
336	I	92.4	Very high	92.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.4	-172.4	66.6	-169	0	0	0	114.5	L333 D334 E338 R339 L364 M365 F374	L333-I336 HydrophobicContact CB-CG2 3.8Å; L333-I336 WeakPolarHBondContact O-CG2 3.47Å; D334-I336 PolarHBondContact O-N 3.3Å; D334-I336 VanDerWaalsContact O-N 3.09Å; I336-E338 PolarHBondContact O-N 3.17Å; I336-R339 VanDerWaalsContact O-CD 3.32Å; I336-R339 WeakPolarHBondContact O-CD 3.3Å; I336-R339 PolarHBondContact O-N 3.04Å; I336-L364 HydrophobicContact CD1-CB 3.72Å; I336-M365 WeakPolarHBondContact CG1-O 3.23Å; I336-M365 PolarHBondContact N-O 2.59Å; I336-F374 HydrophobicContact CB-CD1 4.3Å; I336-F374 HydrophobicContact CB-CE1 3.77Å; I336-F374 HydrophobicContact CB-CZ 4.32Å; I336-F374 HydrophobicContact CD1-CB 4.32Å; I336-F374 HydrophobicContact CD1-CD1 3.41Å; I336-F374 VanDerWaalsContact CD1-CD1 3.41Å; I336-F374 HydrophobicContact CD1-CD2 4.37Å; I336-F374 HydrophobicContact CD1-CE1 3.72Å; I336-F374 HydrophobicContact CD1-CG 3.79Å; I336-F374 HydrophobicContact CD1-CZ 4.29Å; I336-F374 HydrophobicContact CG1-CD1 3.76Å; I336-F374 HydrophobicContact CG1-CE1 3.47Å; I336-F374 VanDerWaalsContact CG1-CE1 3.47Å; I336-F374 HydrophobicContact CG1-CE2 4.33Å; I336-F374 HydrophobicContact CG1-CG 4.33Å; I336-F374 HydrophobicContact CG1-CZ 3.77Å
337	H	88.4	Confident	92.8	Very high	25 Å²	25	12 Å²	12	12%	0.116	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-69.5	-12.9	175.6	65.7	-80.8	0	0	0	114	E335 R339 A367 T368 Q598	E335-H337 PolarHBondContact O-N 2.74Å; E335-H337 IonicContact OE2-CE1 3.79Å; E335-H337 PolarHBondContact OE2-CE1 3.2Å; E335-H337 IonicContact OE2-NE2 2.68Å; H337-R339 PolarHBondContact O-N 2.67Å; H337-A367 WeakPolarHBondContact CE1-CB 3.4Å; H337-A367 PolarHBondContact ND1-N 3.01Å; H337-A367 VanDerWaalsContact ND1-N 3.15Å; H337-T368 HydrophobicContact CB-CG2 4Å; H337-T368 WeakPolarHBondContact CB-OG1 3.39Å; H337-Q598 PolarHBondContact CD2-NE2 3Å; H337-Q598 VanDerWaalsContact CD2-NE2 3.32Å; H337-Q598 PolarHBondContact NE2-NE2 2.71Å
338	E	85.6	Confident	93.2	Very high	40 Å²	40	11.9 Å²	11.9	19%	0.187	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-70.6	-16.4	170	-69.7	-165.7	-150.9	0	0	113.1	R265 E335 I336 N340 T556	R265-E338 IonicContact CZ-OE1 2.69Å; R265-E338 IonicContact CZ-OE2 3.75Å; R265-E338 IonicContact NH1-OE1 2.73Å; R265-E338 PolarHBondContact NH1-OE1 2.96Å; R265-E338 IonicContact NH1-OE2 3.66Å; R265-E338 PolarHBondContact NH1-OE2 2.73Å; R265-E338 IonicContact NH2-OE1 3.7Å; R265-E338 IonicContact NH2-OE2 3.2Å; R265-E338 PolarHBondContact NH2-OE2 3.15Å; E335-E338 HydrophobicContact CB-CG 4.49Å; E335-E338 WeakPolarHBondContact O-CB 3.47Å; E335-E338 PolarHBondContact O-N 3.06Å; I336-E338 PolarHBondContact O-N 3.17Å; E338-N340 WeakPolarHBondContact CB-OD1 3.15Å; E338-N340 PolarHBondContact O-N 3.22Å; E338-T556 HydrophobicContact CG-CG2 4.22Å; E338-T556 VanDerWaalsContact OE1-CB 3.26Å; E338-T556 WeakPolarHBondContact OE1-CB 3.2Å; E338-T556 WeakPolarHBondContact OE1-CG2 3.47Å; E338-T556 PolarHBondContact OE1-OG1 2.89Å
339	R	90.3	Very high	93.2	Very high	24 Å²	24	12.2 Å²	12.2	9%	0.091	6%	0.062	C	C	.	.			trans	50.4	42.6	175.3	-59.5	-57.2	-55.9	-78.4	-8.8	113.5	I336 H337 D344 P629 E630 D660	I336-R339 VanDerWaalsContact O-CD 3.32Å; I336-R339 WeakPolarHBondContact O-CD 3.3Å; I336-R339 PolarHBondContact O-N 3.04Å; H337-R339 PolarHBondContact O-N 2.67Å; R339-D344 IonicContact CZ-OD1 3.61Å; R339-D344 IonicContact CZ-OD2 2.73Å; R339-D344 IonicContact NE-OD1 2.88Å; R339-D344 PolarHBondContact NE-OD1 3.24Å; R339-D344 IonicContact NE-OD2 3.62Å; R339-D344 PolarHBondContact NE-OD2 2.72Å; R339-D344 IonicContact NH2-OD1 3.76Å; R339-D344 IonicContact NH2-OD2 3.27Å; R339-D344 PolarHBondContact NH2-OD2 2.96Å; R339-P629 HydrophobicContact CB-CB 3.91Å; R339-P629 HydrophobicContact CB-CG 4.12Å; R339-P629 HydrophobicContact CG-CG 4.24Å; R339-E630 WeakPolarHBondContact O-CB 3.4Å; R339-E630 PolarHBondContact O-N 3.2Å; R339-D660 IonicContact CZ-OD2 3.82Å; R339-D660 IonicContact NH1-OD2 3.79Å; R339-D660 PolarHBondContact NH1-OD2 3.3Å; R339-D660 IonicContact NH2-OD2 3.45Å; R339-D660 PolarHBondContact NH2-OD2 3.33Å
340	N	88.3	Confident	93.2	Very high	35 Å²	35	11.2 Å²	11.2	19%	0.187	6%	0.055	C	C	.	.			trans	-65.7	143.2	170.9	-49.6	100.1	0	0	0	110	E338 Q342 S343 D344 E630	E338-N340 WeakPolarHBondContact CB-OD1 3.15Å; E338-N340 PolarHBondContact O-N 3.22Å; N340-Q342 VanDerWaalsContact C-N 3.27Å; N340-Q342 PolarHBondContact O-N 2.96Å; N340-S343 PolarHBondContact O-N 3.04Å; N340-D344 PolarHBondContact O-N 3.35Å; N340-E630 VanDerWaalsContact CA-OE2 3.28Å; N340-E630 WeakPolarHBondContact CA-OE2 3.47Å
341	L	88.6	Confident	93	Very high	18 Å²	18	14.4 Å²	14.4	9%	0.094	7%	0.069	C	C	.	.	H	α-helix	trans	-51	-46.6	-178.1	177.3	156	0	0	0	112	S343 D344 V345 E630 I631 L636 L639	L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 2.67Å; L341-D344 PolarHBondContact O-N 2.6Å; L341-V345 WeakPolarHBondContact O-CG2 3.48Å; L341-V345 PolarHBondContact O-N 3.01Å; L341-E630 HydrophobicContact CB-CB 4.44Å; L341-E630 HydrophobicContact CB-CG 4.21Å; L341-E630 PolarHBondContact N-OE2 3.24Å; L341-I631 HydrophobicContact CD1-CD1 4.33Å; L341-I631 HydrophobicContact CG-CD1 4.18Å; L341-L636 HydrophobicContact CD1-CD2 4.34Å; L341-L639 HydrophobicContact CD1-CD2 4.34Å; L341-L639 HydrophobicContact CD2-CB 4.18Å; L341-L639 HydrophobicContact CD2-CD1 4.36Å; L341-L639 HydrophobicContact CD2-CD2 4.04Å; L341-L639 HydrophobicContact CD2-CG 4.41Å; L341-L639 HydrophobicContact CG-CD2 4.09Å
342	Q	89.8	Confident	92.8	Very high	37 Å²	37	16.3 Å²	16.3	17%	0.173	8%	0.079	C	C	.	.	H	α-helix	trans	-68.9	-28.1	-177.3	-61.1	-61.8	-2.5	0	0	113.5	T312 L316 N340 L346 E638 Q642	T312-Q342 HydrophobicContact CG2-CB 4.08Å; T312-Q342 WeakPolarHBondContact CG2-O 3.31Å; L316-Q342 HydrophobicContact CD1-CB 4.04Å; L316-Q342 HydrophobicContact CD1-CG 4.45Å; N340-Q342 VanDerWaalsContact C-N 3.27Å; N340-Q342 PolarHBondContact O-N 2.96Å; Q342-L346 WeakPolarHBondContact O-CB 3.21Å; Q342-L346 PolarHBondContact O-N 3Å; Q342-L346 VanDerWaalsContact O-N 3.1Å; Q342-E638 PolarHBondContact NE2-OE1 2.94Å; Q342-E638 VanDerWaalsContact NE2-OE1 3.15Å; Q342-Q642 VanDerWaalsContact OE1-OE1 3.14Å
343	S	92.3	Very high	92.6	Very high	7 Å²	7	16.9 Å²	16.9	5%	0.049	8%	0.082	C	C	.	.	H	α-helix	trans	-76.2	-41.1	178.7	-62.1	0	0	0	0	111.6	N340 L341 V345 L346 M347	N340-S343 PolarHBondContact O-N 3.04Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 2.67Å; S343-V345 VanDerWaalsContact C-N 3.31Å; S343-V345 PolarHBondContact O-N 2.58Å; S343-L346 PolarHBondContact O-N 2.88Å; S343-M347 WeakPolarHBondContact O-CG 3.21Å; S343-M347 PolarHBondContact O-N 3.47Å
344	D	93.6	Very high	92.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-61.7	-40	176	-78.2	10.7	0	0	0	112.2	R339 N340 L341 M347 T348	R339-D344 IonicContact CZ-OD1 3.61Å; R339-D344 IonicContact CZ-OD2 2.73Å; R339-D344 IonicContact NE-OD1 2.88Å; R339-D344 PolarHBondContact NE-OD1 3.24Å; R339-D344 IonicContact NE-OD2 3.62Å; R339-D344 PolarHBondContact NE-OD2 2.72Å; R339-D344 IonicContact NH2-OD1 3.76Å; R339-D344 IonicContact NH2-OD2 3.27Å; R339-D344 PolarHBondContact NH2-OD2 2.96Å; N340-D344 PolarHBondContact O-N 3.35Å; L341-D344 PolarHBondContact O-N 2.6Å; D344-M347 HydrophobicContact CB-CE 4.46Å; D344-M347 WeakPolarHBondContact OD1-CE 3.41Å; D344-T348 PolarHBondContact O-N 3.43Å; D344-T348 PolarHBondContact O-OG1 3.11Å; D344-T348 VanDerWaalsContact O-OG1 3.1Å
345	V	92.9	Very high	92.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-68.1	-47	177.3	172.9	0	0	0	0	110.8	L316 L341 S343 M347 T348 V349 L639 F654 L658	L316-V345 HydrophobicContact CD2-CG1 4.4Å; L341-V345 WeakPolarHBondContact O-CG2 3.48Å; L341-V345 PolarHBondContact O-N 3.01Å; S343-V345 VanDerWaalsContact C-N 3.31Å; S343-V345 PolarHBondContact O-N 2.58Å; V345-M347 VanDerWaalsContact C-N 3.32Å; V345-M347 PolarHBondContact O-N 3.19Å; V345-T348 PolarHBondContact O-N 3.08Å; V345-T348 VanDerWaalsContact O-N 3.11Å; V345-V349 PolarHBondContact O-N 3.45Å; V345-L639 HydrophobicContact CB-CD1 4.17Å; V345-L639 HydrophobicContact CG1-CD1 3.81Å; V345-L639 HydrophobicContact CG2-CD1 3.36Å; V345-L639 HydrophobicContact CG2-CD2 3.61Å; V345-L639 HydrophobicContact CG2-CG 4.14Å; V345-F654 HydrophobicContact CG1-CE1 4.21Å; V345-F654 HydrophobicContact CG1-CZ 4.49Å; V345-L658 HydrophobicContact CG2-CD2 4.37Å
346	L	95	Very high	92.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-37.3	177.6	-176.6	60.7	0	0	0	112.1	T262 T312 I315 L316 L319 L333 Q342 S343 T348 V349 V350	T262-L346 HydrophobicContact CG2-CD2 4Å; T312-L346 HydrophobicContact CG2-CB 4.05Å; T312-L346 HydrophobicContact CG2-CD2 3.67Å; I315-L346 HydrophobicContact CB-CD1 4.29Å; I315-L346 HydrophobicContact CB-CD2 4Å; I315-L346 HydrophobicContact CG1-CD2 4.27Å; I315-L346 HydrophobicContact CG2-CD1 3.63Å; I315-L346 HydrophobicContact CG2-CD2 4.04Å; L316-L346 HydrophobicContact CD2-CB 4.3Å; L316-L346 HydrophobicContact CD2-CD1 4.09Å; L319-L346 HydrophobicContact CD1-CD1 3.88Å; L333-L346 HydrophobicContact CD2-CD2 3.66Å; L333-L346 HydrophobicContact CD2-CG 4.25Å; Q342-L346 WeakPolarHBondContact O-CB 3.21Å; Q342-L346 PolarHBondContact O-N 3Å; Q342-L346 VanDerWaalsContact O-N 3.1Å; S343-L346 PolarHBondContact O-N 2.88Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3Å; L346-V349 PolarHBondContact O-N 3.21Å; L346-V350 HydrophobicContact CD1-CG2 3.9Å; L346-V350 HydrophobicContact CG-CG2 4.11Å; L346-V350 WeakPolarHBondContact O-CB 3.42Å; L346-V350 VanDerWaalsContact O-CG2 3.25Å; L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 3.01Å
347	M	95.9	Very high	92.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-41.4	173.2	-77.5	-170.9	-64.9	0	0	112	L333 S343 D344 V345 K351 F374 F378 M659	L333-M347 HydrophobicContact CD1-CG 3.69Å; S343-M347 WeakPolarHBondContact O-CG 3.21Å; S343-M347 PolarHBondContact O-N 3.47Å; D344-M347 HydrophobicContact CB-CE 4.46Å; D344-M347 WeakPolarHBondContact OD1-CE 3.41Å; V345-M347 VanDerWaalsContact C-N 3.32Å; V345-M347 PolarHBondContact O-N 3.19Å; M347-K351 VanDerWaalsContact O-CB 3.27Å; M347-K351 WeakPolarHBondContact O-CB 3.23Å; M347-K351 PolarHBondContact O-N 2.98Å; M347-F374 HydrophobicContact CE-CD1 4.22Å; M347-F374 HydrophobicContact CE-CE1 3.96Å; M347-F374 HydrophobicContact SD-CD1 3.75Å; M347-F374 HydrophobicContact SD-CE1 4.01Å; M347-F378 HydrophobicContact CB-CE2 4.1Å; M347-F378 HydrophobicContact CB-CZ 4.06Å; M347-F378 HydrophobicContact CG-CE2 4.24Å; M347-F378 HydrophobicContact CG-CZ 4.38Å; M347-F378 WeakPolarHBondContact O-CZ 3.47Å; M347-F378 HydrophobicContact SD-CE2 4.28Å; M347-M659 HydrophobicContact CE-CE 4.07Å; M347-M659 HydrophobicContact SD-CE 4.3Å
348	T	96.1	Very high	92.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-69.2	-43.9	179.3	-52.7	0	0	0	0	111.6	D344 V345 L346 K351 D352 Y377 F654 R657 L658	D344-T348 PolarHBondContact O-N 3.43Å; D344-T348 PolarHBondContact O-OG1 3.11Å; D344-T348 VanDerWaalsContact O-OG1 3.1Å; V345-T348 PolarHBondContact O-N 3.08Å; V345-T348 VanDerWaalsContact O-N 3.11Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3Å; T348-K351 WeakPolarHBondContact O-CB 3.36Å; T348-K351 PolarHBondContact O-N 2.63Å; T348-D352 PolarHBondContact O-N 3.03Å; T348-D352 VanDerWaalsContact O-N 3.14Å; T348-Y377 PolarHBondContact OG1-OH 3.26Å; T348-F654 HydrophobicContact CG2-CE1 4.39Å; T348-F654 HydrophobicContact CG2-CE2 3.79Å; T348-F654 HydrophobicContact CG2-CZ 3.67Å; T348-R657 HydrophobicContact CG2-CB 4.39Å; T348-L658 HydrophobicContact CG2-CD2 4.3Å; T348-L658 WeakPolarHBondContact OG1-CD2 3.39Å
349	V	94.8	Very high	93	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.073	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-43.6	175.9	178.6	0	0	0	0	111.6	L319 V345 L346 D352 L353 L648 F654	L319-V349 HydrophobicContact CD1-CG1 3.84Å; L319-V349 HydrophobicContact CD2-CG1 4.23Å; V345-V349 PolarHBondContact O-N 3.45Å; L346-V349 PolarHBondContact O-N 3.21Å; V349-D352 PolarHBondContact O-N 3.06Å; V349-L353 WeakPolarHBondContact O-CB 3.25Å; V349-L353 PolarHBondContact O-N 3.5Å; V349-L648 HydrophobicContact CG2-CD1 3.57Å; V349-L648 HydrophobicContact CG2-CD2 4.17Å; V349-F654 HydrophobicContact CG2-CE2 4.26Å; V349-F654 HydrophobicContact CG2-CZ 3.9Å
350	V	95.1	Very high	93.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-41.3	177.1	169.6	0	0	0	0	110.8	I331 L346 D352 L353 L354 V362	I331-V350 HydrophobicContact CD1-CG2 4.07Å; I331-V350 HydrophobicContact CG2-CG1 4.31Å; L346-V350 HydrophobicContact CD1-CG2 3.9Å; L346-V350 HydrophobicContact CG-CG2 4.11Å; L346-V350 WeakPolarHBondContact O-CB 3.42Å; L346-V350 VanDerWaalsContact O-CG2 3.25Å; L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 3.01Å; V350-D352 VanDerWaalsContact C-N 3.26Å; V350-D352 PolarHBondContact O-N 3.28Å; V350-L353 WeakPolarHBondContact O-CB 3.47Å; V350-L353 PolarHBondContact O-N 2.83Å; V350-L353 VanDerWaalsContact O-N 3.17Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 2.68Å; V350-V362 HydrophobicContact CG1-CB 4.39Å; V350-V362 HydrophobicContact CG1-CG1 4Å; V350-V362 HydrophobicContact CG1-CG2 3.42Å; V350-V362 VanDerWaalsContact CG1-CG2 3.42Å
351	K	95.8	Very high	93.8	Very high	70 Å²	70	37.1 Å²	37.1	30%	0.304	19%	0.192	S	C	.	.	H	α-helix	trans	-57	-39	175	-177.9	175.7	169.4	-179.1	0	112.4	M347 T348 N355 Y377 F378	M347-K351 VanDerWaalsContact O-CB 3.27Å; M347-K351 WeakPolarHBondContact O-CB 3.23Å; M347-K351 PolarHBondContact O-N 2.98Å; T348-K351 WeakPolarHBondContact O-CB 3.36Å; T348-K351 PolarHBondContact O-N 2.63Å; K351-N355 PolarHBondContact O-ND2 3.24Å; K351-Y377 HydrophobicContact CD-CD1 4.19Å; K351-Y377 HydrophobicContact CD-CE1 3.62Å; K351-Y377 VanDerWaalsContact CE-O 3.29Å; K351-Y377 WeakPolarHBondContact CE-O 3.42Å; K351-Y377 PolarHBondContact NZ-O 2.84Å; K351-F378 HydrophobicContact CB-CD1 4.29Å; K351-F378 HydrophobicContact CB-CE1 3.68Å; K351-F378 HydrophobicContact CB-CZ 4.15Å; K351-F378 HydrophobicContact CG-CD1 4.33Å; K351-F378 HydrophobicContact CG-CE1 4.21Å
352	D	93.6	Very high	94.3	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-72.3	-41	175.6	-72.5	-12.9	0	0	0	112.4	T348 V349 V350 L354 N355 F356 R657	T348-D352 PolarHBondContact O-N 3.03Å; T348-D352 VanDerWaalsContact O-N 3.14Å; V349-D352 PolarHBondContact O-N 3.06Å; V350-D352 VanDerWaalsContact C-N 3.26Å; V350-D352 PolarHBondContact O-N 3.28Å; D352-L354 VanDerWaalsContact C-N 3.26Å; D352-L354 PolarHBondContact O-N 3.35Å; D352-N355 WeakPolarHBondContact O-CB 3.3Å; D352-N355 PolarHBondContact O-N 3.34Å; D352-N355 PolarHBondContact O-ND2 3.07Å; D352-F356 WeakPolarHBondContact O-CD2 3.44Å; D352-R657 VanDerWaalsContact CG-NH2 3.28Å; D352-R657 IonicContact OD1-CZ 3.35Å; D352-R657 IonicContact OD1-NH1 3.3Å; D352-R657 IonicContact OD1-NH2 2.66Å; D352-R657 PolarHBondContact OD1-NH2 3.49Å; D352-R657 IonicContact OD2-CZ 2.72Å; D352-R657 IonicContact OD2-NH1 3.72Å; D352-R657 PolarHBondContact OD2-NH1 3.5Å; D352-R657 IonicContact OD2-NH2 3.64Å; D352-R657 PolarHBondContact OD2-NH2 2.85Å; D352-R657 VanDerWaalsContact OD2-NH2 3.1Å
353	L	93.4	Very high	94.7	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-33.1	178.6	-179.3	58.5	0	0	0	113	C324 L325 V349 V350 N355 F356 R357 L360	C324-L353 HydrophobicContact CB-CD1 4.49Å; L325-L353 HydrophobicContact CB-CD2 4.34Å; L325-L353 HydrophobicContact CD1-CD2 4.28Å; L325-L353 HydrophobicContact CG-CD2 4.36Å; V349-L353 WeakPolarHBondContact O-CB 3.25Å; V349-L353 PolarHBondContact O-N 3.5Å; V350-L353 WeakPolarHBondContact O-CB 3.47Å; V350-L353 PolarHBondContact O-N 2.83Å; V350-L353 VanDerWaalsContact O-N 3.17Å; L353-N355 PolarHBondContact O-N 2.89Å; L353-F356 PolarHBondContact O-N 3.01Å; L353-R357 HydrophobicContact CD1-CB 4.49Å; L353-R357 HydrophobicContact CD1-CG 3.69Å; L353-R357 HydrophobicContact CG-CB 4.42Å; L353-R357 HydrophobicContact CG-CG 4.05Å; L353-R357 PolarHBondContact O-N 2.88Å; L353-L360 HydrophobicContact CD2-CD2 3.87Å; L353-L360 HydrophobicContact CG-CD2 4.23Å
354	L	94.4	Very high	95	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	178.6	-72.3	168.7	0	0	0	114	Q224 V225 V350 D352 F356 V362 F378	Q224-L354 HydrophobicContact CG-CD2 3.76Å; Q224-L354 VanDerWaalsContact NE2-CD2 3.32Å; Q224-L354 PolarHBondContact NE2-O 3.01Å; V225-L354 HydrophobicContact CG2-CD1 3.4Å; V225-L354 VanDerWaalsContact CG2-CD1 3.4Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 2.68Å; D352-L354 VanDerWaalsContact C-N 3.26Å; D352-L354 PolarHBondContact O-N 3.35Å; L354-F356 PolarHBondContact O-N 3.27Å; L354-V362 HydrophobicContact CD1-CG2 4.1Å; L354-V362 HydrophobicContact CD2-CG2 3.65Å; L354-V362 HydrophobicContact CG-CG2 4.16Å; L354-F378 HydrophobicContact CD1-CD1 4.37Å; L354-F378 HydrophobicContact CD1-CE1 4.27Å
355	N	92	Very high	95	Very high	125 Å²	125	34.2 Å²	34.2	67%	0.668	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.5	174.8	-57.1	-66.1	0	0	0	112.6	K351 D352 L353	K351-N355 PolarHBondContact O-ND2 3.24Å; D352-N355 WeakPolarHBondContact O-CB 3.3Å; D352-N355 PolarHBondContact O-N 3.34Å; D352-N355 PolarHBondContact O-ND2 3.07Å; L353-N355 PolarHBondContact O-N 2.89Å
356	F	91.7	Very high	95	Very high	171 Å²	171	34.1 Å²	34.1	75%	0.75	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-25.1	-178.5	-55.1	-79.1	0	0	0	113.3	D352 L353 L354	D352-F356 WeakPolarHBondContact O-CD2 3.44Å; L353-F356 PolarHBondContact O-N 3.01Å; L354-F356 PolarHBondContact O-N 3.27Å
357	R	93.4	Very high	94.4	Very high	25 Å²	25	34.8 Å²	34.8	9%	0.094	18%	0.182	C	C	.	.			trans	-113.5	77.8	-179	-71.2	-69.2	-56.6	-75.5	2.1	111.3	Q224 C324 L325 V328 L353 D359 L360	Q224-R357 PolarHBondContact NE2-O 2.73Å; C324-R357 PolarHBondContact O-NH1 3.39Å; L325-R357 VanDerWaalsContact C-NH1 3.28Å; L325-R357 PolarHBondContact O-NH1 2.92Å; V328-R357 PolarHBondContact O-NH2 2.73Å; L353-R357 HydrophobicContact CD1-CB 4.49Å; L353-R357 HydrophobicContact CD1-CG 3.69Å; L353-R357 HydrophobicContact CG-CB 4.42Å; L353-R357 HydrophobicContact CG-CG 4.05Å; L353-R357 PolarHBondContact O-N 2.88Å; R357-D359 IonicContact CZ-OD1 2.71Å; R357-D359 IonicContact CZ-OD2 2.67Å; R357-D359 IonicContact NE-OD1 2.73Å; R357-D359 PolarHBondContact NE-OD1 3.27Å; R357-D359 IonicContact NE-OD2 3.26Å; R357-D359 PolarHBondContact NE-OD2 3.45Å; R357-D359 IonicContact NH2-OD1 2.72Å; R357-D359 IonicContact NH2-OD2 2.73Å; R357-D359 PolarHBondContact NH2-OD2 2.98Å; R357-D359 PolarHBondContact O-N 2.97Å; R357-L360 HydrophobicContact CB-CB 3.71Å; R357-L360 HydrophobicContact CB-CD2 4.39Å; R357-L360 PolarHBondContact O-N 3.38Å
358	S	93.3	Very high	93.2	Very high	113 Å²	113	35.7 Å²	35.7	79%	0.79	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.4	175.8	55.4	0	0	0	0	114
359	D	93.8	Very high	91.7	Very high	94 Å²	94	40.7 Å²	40.7	50%	0.503	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.6	176.5	65.1	-55.9	0	0	0	113.9	R357	R357-D359 IonicContact CZ-OD1 2.71Å; R357-D359 IonicContact CZ-OD2 2.67Å; R357-D359 IonicContact NE-OD1 2.73Å; R357-D359 PolarHBondContact NE-OD1 3.27Å; R357-D359 IonicContact NE-OD2 3.26Å; R357-D359 PolarHBondContact NE-OD2 3.45Å; R357-D359 IonicContact NH2-OD1 2.72Å; R357-D359 IonicContact NH2-OD2 2.73Å; R357-D359 PolarHBondContact NH2-OD2 2.98Å; R357-D359 PolarHBondContact O-N 2.97Å
360	L	96.4	Very high	90.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.			trans	-74.6	129.1	-178.1	177.6	64.5	0	0	0	111	Q224 V328 I331 L353 R357 V362	Q224-L360 VanDerWaalsContact CG-O 3.27Å; Q224-L360 WeakPolarHBondContact CG-O 3.48Å; V328-L360 HydrophobicContact CG1-CD1 4.27Å; I331-L360 HydrophobicContact CG2-CD1 4.24Å; L353-L360 HydrophobicContact CD2-CD2 3.87Å; L353-L360 HydrophobicContact CG-CD2 4.23Å; R357-L360 HydrophobicContact CB-CB 3.71Å; R357-L360 HydrophobicContact CB-CD2 4.39Å; R357-L360 PolarHBondContact O-N 3.38Å; L360-V362 HydrophobicContact CG-CG2 4.46Å
361	K	98.3	Very high	90.5	Very high	34 Å²	34	41.9 Å²	41.9	15%	0.148	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.6	172	-62.4	-62.2	-165.9	163.7	0	111.3	I220 D221 H223 S329 H330 I331 I363	I220-K361 WeakPolarHBondContact O-CE 3.34Å; I220-K361 PolarHBondContact O-NZ 3.01Å; D221-K361 PolarHBondContact O-NZ 3.45Å; H223-K361 WeakPolarHBondContact O-CD 3.43Å; H223-K361 PolarHBondContact O-NZ 3.1Å; S329-K361 PolarHBondContact O-N 3.42Å; H330-K361 WeakPolarHBondContact CA-O 3.24Å; H330-K361 HydrophobicContact CB-CB 4.41Å; H330-K361 VanDerWaalsContact CD2-CB 3.43Å; H330-K361 WeakPolarHBondContact CD2-CB 3.4Å; I331-K361 PolarHBondContact N-O 3.5Å; K361-I363 HydrophobicContact CB-CD1 4.29Å
362	V	98.4	Very high	90.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.9	178.1	178	0	0	0	0	110	Q224 V225 T226 I331 V350 L354 L360 L364	Q224-V362 PolarHBondContact O-N 3.01Å; V225-V362 CarbonylContact C-O 3.56Å; V225-V362 VanDerWaalsContact CA-O 3.31Å; V225-V362 WeakPolarHBondContact CA-O 3.32Å; V225-V362 HydrophobicContact CG1-CB 4.26Å; V225-V362 HydrophobicContact CG1-CG1 4.19Å; V225-V362 HydrophobicContact CG2-CB 4.33Å; T226-V362 PolarHBondContact N-O 3.48Å; I331-V362 HydrophobicContact CG2-CB 4.27Å; I331-V362 HydrophobicContact CG2-CG1 4.39Å; I331-V362 HydrophobicContact CG2-CG2 3.61Å; I331-V362 WeakPolarHBondContact O-CA 3.3Å; V350-V362 HydrophobicContact CG1-CB 4.39Å; V350-V362 HydrophobicContact CG1-CG1 4Å; V350-V362 HydrophobicContact CG1-CG2 3.42Å; V350-V362 VanDerWaalsContact CG1-CG2 3.42Å; L354-V362 HydrophobicContact CD1-CG2 4.1Å; L354-V362 HydrophobicContact CD2-CG2 3.65Å; L354-V362 HydrophobicContact CG-CG2 4.16Å; L360-V362 HydrophobicContact CG-CG2 4.46Å; V362-L364 HydrophobicContact CG1-CD2 3.84Å; V362-L364 HydrophobicContact CG1-CG 4.18Å
363	I	98.6	Very high	90.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.5	178.7	-58	89.3	0	0	0	108.3	I220 T226 I228 V240 I244 H330 I331 V332 L333 K361 M365	I220-I363 HydrophobicContact CD1-CG1 4.08Å; I220-I363 HydrophobicContact CG1-CG1 4.04Å; I220-I363 HydrophobicContact CG2-CD1 4.09Å; I220-I363 HydrophobicContact CG2-CG1 4.17Å; T226-I363 WeakPolarHBondContact O-CA 3.37Å; I228-I363 HydrophobicContact CD1-CG2 3.39Å; I228-I363 HydrophobicContact CG1-CG2 3.96Å; V240-I363 HydrophobicContact CG1-CG2 4.38Å; I244-I363 HydrophobicContact CD1-CD1 4.14Å; H330-I363 HydrophobicContact CB-CD1 4.33Å; I331-I363 PolarHBondContact O-N 3.08Å; V332-I363 CarbonylContact C-O 3.6Å; V332-I363 WeakPolarHBondContact CA-O 3.45Å; V332-I363 HydrophobicContact CG1-CB 4.31Å; V332-I363 HydrophobicContact CG1-CG2 4.38Å; V332-I363 HydrophobicContact CG2-CB 4.21Å; V332-I363 HydrophobicContact CG2-CD1 4.2Å; L333-I363 PolarHBondContact N-O 3.18Å; K361-I363 HydrophobicContact CB-CD1 4.29Å; I363-M365 HydrophobicContact CG2-CG 4.01Å
364	L	97.9	Very high	90.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.7	-177	-58.8	177.4	0	0	0	108.6	V225 T226 V227 I228 L333 I336 V362 F378	V225-L364 HydrophobicContact CG1-CD1 4Å; V225-L364 HydrophobicContact CG1-CG 4.37Å; T226-L364 PolarHBondContact O-N 2.86Å; V227-L364 CarbonylContact C-O 3.55Å; V227-L364 WeakPolarHBondContact CA-O 3.36Å; V227-L364 HydrophobicContact CG2-CB 4.11Å; V227-L364 HydrophobicContact CG2-CD1 4Å; I228-L364 PolarHBondContact N-O 2.8Å; L333-L364 HydrophobicContact CB-CD2 4Å; L333-L364 HydrophobicContact CD1-CD2 3.81Å; L333-L364 HydrophobicContact CG-CD2 4.18Å; I336-L364 HydrophobicContact CD1-CB 3.72Å; V362-L364 HydrophobicContact CG1-CD2 3.84Å; V362-L364 HydrophobicContact CG1-CG 4.18Å; L364-F378 HydrophobicContact CD1-CD2 3.38Å; L364-F378 HydrophobicContact CD1-CE2 3.54Å; L364-F378 HydrophobicContact CD1-CG 3.92Å; L364-F378 HydrophobicContact CD1-CZ 4.18Å; L364-F378 HydrophobicContact CD2-CE2 4.25Å; L364-F378 HydrophobicContact CD2-CZ 4.36Å
365	M	95.4	Very high	90.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.5	-175.2	-54.3	-161.5	-55.7	0	0	112.3	I228 K236 V240 V332 L333 D334 E335 I336 I363	I228-M365 HydrophobicContact CB-CG 4.26Å; I228-M365 HydrophobicContact CD1-CG 4.48Å; I228-M365 HydrophobicContact CD1-SD 4.42Å; I228-M365 WeakPolarHBondContact O-CA 3.36Å; K236-M365 HydrophobicContact CB-CE 4.36Å; K236-M365 HydrophobicContact CB-SD 3.98Å; K236-M365 HydrophobicContact CD-CB 4.44Å; V240-M365 HydrophobicContact CB-SD 3.97Å; V240-M365 HydrophobicContact CG1-SD 4.13Å; V240-M365 HydrophobicContact CG2-SD 4Å; V332-M365 HydrophobicContact CG1-CE 3.51Å; V332-M365 HydrophobicContact CG1-CG 4Å; V332-M365 HydrophobicContact CG1-SD 3.83Å; L333-M365 PolarHBondContact O-N 2.86Å; D334-M365 HydrophobicContact CB-CE 3.81Å; D334-M365 WeakPolarHBondContact OD1-CB 3.38Å; D334-M365 VanDerWaalsContact OD1-CE 3.31Å; D334-M365 WeakPolarHBondContact OD1-CE 3.45Å; E335-M365 PolarHBondContact N-O 2.76Å; I336-M365 WeakPolarHBondContact CG1-O 3.23Å; I336-M365 PolarHBondContact N-O 2.59Å; I363-M365 HydrophobicContact CG2-CG 4.01Å
366	S	91.3	Very high	90.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.7	-177.3	177.9	0	0	0	0	111.7	I228 S229 G230 K236 T368	I228-S366 PolarHBondContact O-N 2.88Å; S229-S366 WeakPolarHBondContact CA-O 3.38Å; G230-S366 PolarHBondContact N-O 2.71Å; K236-S366 VanDerWaalsContact CE-O 3.25Å; K236-S366 WeakPolarHBondContact CE-O 3.44Å; S366-T368 PolarHBondContact OG-N 3.32Å; S366-T368 PolarHBondContact OG-OG1 3.25Å
367	A	82.5	Confident	90.9	Very high	14 Å²	14	38 Å²	38	12%	0.116	20%	0.199	C	C	.	.	S	Bend	trans	-93.9	-4.7	174.8	0	0	0	0	0	114.1	G230 H337	G230-A367 VanDerWaalsContact O-CA 3.32Å; G230-A367 WeakPolarHBondContact O-CA 3.21Å; H337-A367 WeakPolarHBondContact CE1-CB 3.4Å; H337-A367 PolarHBondContact ND1-N 3.01Å; H337-A367 VanDerWaalsContact ND1-N 3.15Å
368	T	71.9	Confident	91.1	Very high	21 Å²	21	37.8 Å²	37.8	13%	0.129	20%	0.199	C	C	.	.	S	Bend	trans	-113.4	156.7	-171.8	59.2	0	0	0	0	112.8	H337 S366 N370 Y626	H337-T368 HydrophobicContact CB-CG2 4Å; H337-T368 WeakPolarHBondContact CB-OG1 3.39Å; S366-T368 PolarHBondContact OG-N 3.32Å; S366-T368 PolarHBondContact OG-OG1 3.25Å; T368-N370 PolarHBondContact O-N 3.27Å; T368-N370 VanDerWaalsContact O-N 3.1Å; T368-Y626 HydrophobicContact CG2-CE1 4.28Å
369	L	63.6	Low	91.2	Very high	105 Å²	105	35.4 Å²	35.4	55%	0.55	19%	0.191	S	C	.	.	S	Bend	trans	-79.8	32.9	172.3	-60.7	172.4	0	0	0	112.6
370	N	79	Confident	91.3	Very high	39 Å²	39	36.8 Å²	36.8	21%	0.209	20%	0.199	C	C	.	.			trans	-127.6	34.5	173.9	-164.7	7	0	0	0	108.2	T368 E372 K373 F374 Y626	T368-N370 PolarHBondContact O-N 3.27Å; T368-N370 VanDerWaalsContact O-N 3.1Å; N370-E372 VanDerWaalsContact C-N 3.3Å; N370-E372 VanDerWaalsContact C-OE2 3.25Å; N370-E372 VanDerWaalsContact CA-OE2 3.25Å; N370-E372 WeakPolarHBondContact CA-OE2 3.26Å; N370-K373 WeakPolarHBondContact OD1-CD 3.45Å; N370-K373 WeakPolarHBondContact OD1-CE 3.48Å; N370-K373 WeakPolarHBondContact OD1-CG 3.42Å; N370-F374 WeakPolarHBondContact O-CE2 3.34Å; N370-Y626 HydrophobicContact CB-CE1 4.14Å; N370-Y626 HydrophobicContact CB-CE2 4.37Å
371	A	85.8	Confident	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.			trans	-80.5	-18.7	-176.8	0	0	0	0	0	111.4	V227 K373 F374 S375 M383	V227-A371 HydrophobicContact CG1-CB 3.94Å; A371-K373 VanDerWaalsContact C-N 3.33Å; A371-K373 PolarHBondContact O-N 2.73Å; A371-F374 WeakPolarHBondContact O-CB 3.36Å; A371-F374 PolarHBondContact O-N 3.15Å; A371-S375 PolarHBondContact O-N 3.4Å; A371-M383 HydrophobicContact CB-CE 3.76Å; A371-M383 HydrophobicContact CB-SD 3.72Å
372	E	91.6	Very high	91.3	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-55.9	-44	176.5	-62.4	72.7	-162.9	0	0	111	N370 F374 S375 E376 M383	N370-E372 VanDerWaalsContact C-N 3.3Å; N370-E372 VanDerWaalsContact C-OE2 3.25Å; N370-E372 VanDerWaalsContact CA-OE2 3.25Å; N370-E372 WeakPolarHBondContact CA-OE2 3.26Å; E372-F374 PolarHBondContact O-N 2.64Å; E372-S375 CarbonylContact O-C 3.58Å; E372-S375 WeakPolarHBondContact O-CA 3.24Å; E372-S375 VanDerWaalsContact O-CB 3.31Å; E372-S375 WeakPolarHBondContact O-CB 3.19Å; E372-S375 PolarHBondContact O-N 3.5Å; E372-E376 WeakPolarHBondContact O-CG 3.49Å; E372-E376 PolarHBondContact O-N 2.87Å; E372-M383 WeakPolarHBondContact OE1-CE 3.44Å
373	K	92.8	Very high	91.1	Very high	94 Å²	94	40.9 Å²	40.9	41%	0.409	22%	0.224	S	C	.	.	H	α-helix	trans	-56.4	-34.5	175.7	-69.6	-170.8	176.3	-160	0	113.5	N370 A371 Y377 M659	N370-K373 WeakPolarHBondContact OD1-CD 3.45Å; N370-K373 WeakPolarHBondContact OD1-CE 3.48Å; N370-K373 WeakPolarHBondContact OD1-CG 3.42Å; A371-K373 VanDerWaalsContact C-N 3.33Å; A371-K373 PolarHBondContact O-N 2.73Å; K373-Y377 VanDerWaalsContact O-CB 3.28Å; K373-Y377 WeakPolarHBondContact O-CB 3.47Å; K373-Y377 PolarHBondContact O-N 3.04Å; K373-M659 HydrophobicContact CB-SD 4.42Å
374	F	95.3	Very high	91	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-75.2	-35.6	176.6	-56.8	-97	0	0	0	111	V227 I336 M347 N370 A371 E372 F378 M659	V227-F374 HydrophobicContact CG2-CB 4.29Å; I336-F374 HydrophobicContact CB-CD1 4.3Å; I336-F374 HydrophobicContact CB-CE1 3.77Å; I336-F374 HydrophobicContact CB-CZ 4.32Å; I336-F374 HydrophobicContact CD1-CB 4.32Å; I336-F374 HydrophobicContact CD1-CD1 3.41Å; I336-F374 VanDerWaalsContact CD1-CD1 3.41Å; I336-F374 HydrophobicContact CD1-CD2 4.37Å; I336-F374 HydrophobicContact CD1-CE1 3.72Å; I336-F374 HydrophobicContact CD1-CG 3.79Å; I336-F374 HydrophobicContact CD1-CZ 4.29Å; I336-F374 HydrophobicContact CG1-CD1 3.76Å; I336-F374 HydrophobicContact CG1-CE1 3.47Å; I336-F374 VanDerWaalsContact CG1-CE1 3.47Å; I336-F374 HydrophobicContact CG1-CE2 4.33Å; I336-F374 HydrophobicContact CG1-CG 4.33Å; I336-F374 HydrophobicContact CG1-CZ 3.77Å; M347-F374 HydrophobicContact CE-CD1 4.22Å; M347-F374 HydrophobicContact CE-CE1 3.96Å; M347-F374 HydrophobicContact SD-CD1 3.75Å; M347-F374 HydrophobicContact SD-CE1 4.01Å; N370-F374 WeakPolarHBondContact O-CE2 3.34Å; A371-F374 WeakPolarHBondContact O-CB 3.36Å; A371-F374 PolarHBondContact O-N 3.15Å; E372-F374 PolarHBondContact O-N 2.64Å; F374-F378 WeakPolarHBondContact O-CD2 3.33Å; F374-F378 PolarHBondContact O-N 3.46Å; F374-F378 VanDerWaalsContact O-N 3.16Å; F374-M659 HydrophobicContact CB-CE 4.34Å; F374-M659 HydrophobicContact CD1-CE 3.46Å; F374-M659 VanDerWaalsContact CD1-CE 3.46Å; F374-M659 HydrophobicContact CD1-SD 4.2Å; F374-M659 HydrophobicContact CE1-CE 3.91Å; F374-M659 HydrophobicContact CE1-SD 4.18Å; F374-M659 HydrophobicContact CG-CE 3.97Å
375	S	96.3	Very high	90.8	Very high	17 Å²	17	45.3 Å²	45.3	12%	0.119	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-52	171.6	174.9	0	0	0	0	111.1	A371 E372 Y377 F378 G379 N380 C381	A371-S375 PolarHBondContact O-N 3.4Å; E372-S375 CarbonylContact O-C 3.58Å; E372-S375 WeakPolarHBondContact O-CA 3.24Å; E372-S375 VanDerWaalsContact O-CB 3.31Å; E372-S375 WeakPolarHBondContact O-CB 3.19Å; E372-S375 PolarHBondContact O-N 3.5Å; S375-Y377 PolarHBondContact O-N 3.13Å; S375-F378 CarbonylContact O-C 3.52Å; S375-F378 PolarHBondContact O-N 3.26Å; S375-F378 VanDerWaalsContact O-N 3.14Å; S375-G379 PolarHBondContact O-N 2.96Å; S375-N380 VanDerWaalsContact O-CA 3.28Å; S375-N380 WeakPolarHBondContact O-CA 3.33Å; S375-N380 PolarHBondContact O-N 2.95Å; S375-N380 WeakPolarHBondContact OG-CA 3.45Å; S375-C381 PolarHBondContact O-N 3.24Å; S375-C381 PolarHBondContact OG-N 3.24Å; S375-C381 PolarHBondContact OG-O 2.89Å
376	E	96.7	Very high	90.6	Very high	120 Å²	120	45.3 Å²	45.3	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-54.6	-50.3	176.9	-71.4	172.6	-177.8	0	0	111.5	E372 F378 G379	E372-E376 WeakPolarHBondContact O-CG 3.49Å; E372-E376 PolarHBondContact O-N 2.87Å; E376-F378 VanDerWaalsContact C-N 3.26Å; E376-F378 PolarHBondContact O-N 3.28Å; E376-G379 PolarHBondContact O-N 3.09Å
377	Y	96.7	Very high	90.3	Very high	32 Å²	32	48.5 Å²	48.5	13%	0.125	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-33.5	179.2	-176.5	-100.4	0	0	0	113	T348 K351 K373 S375 G379 R657 M659	T348-Y377 PolarHBondContact OG1-OH 3.26Å; K351-Y377 HydrophobicContact CD-CD1 4.19Å; K351-Y377 HydrophobicContact CD-CE1 3.62Å; K351-Y377 VanDerWaalsContact CE-O 3.29Å; K351-Y377 WeakPolarHBondContact CE-O 3.42Å; K351-Y377 PolarHBondContact NZ-O 2.84Å; K373-Y377 VanDerWaalsContact O-CB 3.28Å; K373-Y377 WeakPolarHBondContact O-CB 3.47Å; K373-Y377 PolarHBondContact O-N 3.04Å; S375-Y377 PolarHBondContact O-N 3.13Å; Y377-G379 VanDerWaalsContact C-N 3.3Å; Y377-G379 PolarHBondContact O-N 3.33Å; Y377-R657 WeakPolarHBondContact CE2-O 3.09Å; Y377-R657 PolarHBondContact OH-O 2.87Å; Y377-M659 HydrophobicContact CD1-CE 3.98Å; Y377-M659 HydrophobicContact CD2-CB 3.95Å; Y377-M659 HydrophobicContact CD2-CG 4.25Å; Y377-M659 HydrophobicContact CE2-CB 4.17Å; Y377-M659 HydrophobicContact CG-CB 4.22Å; Y377-M659 HydrophobicContact CG-CE 3.85Å; Y377-M659 HydrophobicContact CG-CG 4.35Å
378	F	96.8	Very high	89.8	Confident	20 Å²	20	49.3 Å²	49.3	9%	0.088	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	23.7	173.3	-79.4	-92.6	0	0	0	113.6	V225 M347 K351 L354 L364 F374 S375 E376 C381	V225-F378 HydrophobicContact CG1-CB 4.11Å; V225-F378 HydrophobicContact CG1-CD1 3.93Å; V225-F378 HydrophobicContact CG1-CG 4.1Å; V225-F378 HydrophobicContact CG2-CD1 4.24Å; M347-F378 HydrophobicContact CB-CE2 4.1Å; M347-F378 HydrophobicContact CB-CZ 4.06Å; M347-F378 HydrophobicContact CG-CE2 4.24Å; M347-F378 HydrophobicContact CG-CZ 4.38Å; M347-F378 WeakPolarHBondContact O-CZ 3.47Å; M347-F378 HydrophobicContact SD-CE2 4.28Å; K351-F378 HydrophobicContact CB-CD1 4.29Å; K351-F378 HydrophobicContact CB-CE1 3.68Å; K351-F378 HydrophobicContact CB-CZ 4.15Å; K351-F378 HydrophobicContact CG-CD1 4.33Å; K351-F378 HydrophobicContact CG-CE1 4.21Å; L354-F378 HydrophobicContact CD1-CD1 4.37Å; L354-F378 HydrophobicContact CD1-CE1 4.27Å; L364-F378 HydrophobicContact CD1-CD2 3.38Å; L364-F378 HydrophobicContact CD1-CE2 3.54Å; L364-F378 HydrophobicContact CD1-CG 3.92Å; L364-F378 HydrophobicContact CD1-CZ 4.18Å; L364-F378 HydrophobicContact CD2-CE2 4.25Å; L364-F378 HydrophobicContact CD2-CZ 4.36Å; F374-F378 WeakPolarHBondContact O-CD2 3.33Å; F374-F378 PolarHBondContact O-N 3.46Å; F374-F378 VanDerWaalsContact O-N 3.16Å; S375-F378 CarbonylContact O-C 3.52Å; S375-F378 PolarHBondContact O-N 3.26Å; S375-F378 VanDerWaalsContact O-N 3.14Å; E376-F378 VanDerWaalsContact C-N 3.26Å; E376-F378 PolarHBondContact O-N 3.28Å; F378-C381 HydrophobicContact CB-CB 4.33Å
379	G	95.3	Very high	89.7	Confident	62 Å²	62	53.5 Å²	53.5	64%	0.639	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	37.4	171.5	0	0	0	0	0	114.3	S375 E376 Y377 C381	S375-G379 PolarHBondContact O-N 2.96Å; E376-G379 PolarHBondContact O-N 3.09Å; Y377-G379 VanDerWaalsContact C-N 3.3Å; Y377-G379 PolarHBondContact O-N 3.33Å; G379-C381 VanDerWaalsContact C-N 3.35Å
380	N	96.6	Very high	90.3	Very high	123 Å²	123	51.3 Å²	51.3	66%	0.658	28%	0.284	S	S	*	.	S	Bend	trans	58.9	42.6	-173.8	-54.5	-50.5	0	0	0	112.6	S375	S375-N380 VanDerWaalsContact O-CA 3.28Å; S375-N380 WeakPolarHBondContact O-CA 3.33Å; S375-N380 PolarHBondContact O-N 2.95Å; S375-N380 WeakPolarHBondContact OG-CA 3.45Å
381	C	96.7	Very high	90.6	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.081	29%	0.287	C	S	.	.			trans	-66.3	152.3	179.9	69.8	0	0	0	0	112	V225 S375 F378 G379 M383	V225-C381 HydrophobicContact CB-CB 3.98Å; V225-C381 HydrophobicContact CG1-CB 4.2Å; S375-C381 PolarHBondContact O-N 3.24Å; S375-C381 PolarHBondContact OG-N 3.24Å; S375-C381 PolarHBondContact OG-O 2.89Å; F378-C381 HydrophobicContact CB-CB 4.33Å; G379-C381 VanDerWaalsContact C-N 3.35Å; C381-M383 PolarHBondContact O-N 3.24Å
382	P	97.5	Very high	90.9	Very high	43 Å²	43	57.1 Å²	57.1	28%	0.279	32%	0.317	S	S	.	.			trans	-58.6	135.9	-172.6	-27.1	36.5	0	0	0	113.3	L219 H223 T226 V227	L219-P382 HydrophobicContact CD1-CB 3.95Å; L219-P382 HydrophobicContact CD2-CB 4.44Å; L219-P382 HydrophobicContact CG-CB 4.39Å; H223-P382 HydrophobicContact CB-CG 4.29Å; T226-P382 WeakPolarHBondContact CA-O 3.48Å; V227-P382 PolarHBondContact N-O 3Å
383	M	95.6	Very high	91	Very high	68 Å²	68	54 Å²	54	34%	0.335	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.8	178.3	179.4	167.7	143	0	0	110.4	V227 A371 E372 C381	V227-M383 HydrophobicContact CB-CB 4.14Å; V227-M383 HydrophobicContact CB-CG 4.13Å; V227-M383 HydrophobicContact CG1-CG 3.99Å; V227-M383 HydrophobicContact CG1-SD 4.11Å; V227-M383 CarbonylContact O-C 3.55Å; V227-M383 VanDerWaalsContact O-CA 3.3Å; V227-M383 WeakPolarHBondContact O-CA 3.42Å; A371-M383 HydrophobicContact CB-CE 3.76Å; A371-M383 HydrophobicContact CB-SD 3.72Å; E372-M383 WeakPolarHBondContact OE1-CE 3.44Å; C381-M383 PolarHBondContact O-N 3.24Å
384	I	95.1	Very high	91.2	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.5	174	-170.8	165	0	0	0	109.8	M212 E215 L216 L219 V227 I228 S229	M212-I384 HydrophobicContact CE-CD1 3.96Å; M212-I384 HydrophobicContact CE-CG1 4.01Å; E215-I384 HydrophobicContact CB-CD1 4.36Å; E215-I384 HydrophobicContact CG-CD1 3.77Å; L216-I384 HydrophobicContact CD2-CD1 4.01Å; L216-I384 HydrophobicContact CD2-CG1 4.49Å; L216-I384 HydrophobicContact CD2-CG2 3.74Å; L216-I384 HydrophobicContact CG-CD1 4.44Å; L219-I384 HydrophobicContact CD2-CB 3.73Å; L219-I384 HydrophobicContact CD2-CD1 4.26Å; L219-I384 HydrophobicContact CD2-CG2 3.8Å; V227-I384 PolarHBondContact O-N 2.99Å; I228-I384 HydrophobicContact CB-CG2 4.36Å; I228-I384 HydrophobicContact CG1-CG2 3.96Å; I228-I384 HydrophobicContact CG2-CG2 4.37Å; S229-I384 PolarHBondContact N-O 3.01Å; S229-I384 PolarHBondContact OG-O 2.84Å; S229-I384 VanDerWaalsContact OG-O 3.11Å
385	H	94.3	Very high	91.4	Very high	79 Å²	79	57.2 Å²	57.2	37%	0.366	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.2	179.5	-173.6	71.7	0	0	0	110.8	S229	S229-H385 WeakPolarHBondContact OG-CA 3.4Å; S229-H385 WeakPolarHBondContact OG-CB 3.35Å; S229-H385 PolarHBondContact OG-ND1 3.34Å
386	I	91.1	Very high	91.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.1	170.8	-51.6	-177.9	0	0	0	107.8	P208 M212 L216 I228 S229 G230 C234 K236	P208-I386 HydrophobicContact CB-CG2 3.99Å; M212-I386 HydrophobicContact SD-CB 4.41Å; M212-I386 HydrophobicContact SD-CG1 4.35Å; M212-I386 HydrophobicContact SD-CG2 4.36Å; L216-I386 HydrophobicContact CD1-CD1 3.79Å; L216-I386 HydrophobicContact CD1-CG1 4.45Å; L216-I386 HydrophobicContact CD2-CD1 4Å; L216-I386 HydrophobicContact CD2-CG1 4.24Å; I228-I386 HydrophobicContact CG2-CD1 3.65Å; I228-I386 HydrophobicContact CG2-CG1 3.98Å; S229-I386 PolarHBondContact O-N 3.42Å; G230-I386 WeakPolarHBondContact CA-O 3.45Å; C234-I386 HydrophobicContact CB-CB 4.42Å; C234-I386 HydrophobicContact CB-CG2 3.82Å; K236-I386 HydrophobicContact CG-CD1 4Å
387	P	84.4	Confident	91.6	Very high	67 Å²	67	54.8 Å²	54.8	44%	0.435	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-60.5	143.2	-178.9	24.3	-32.1	0	0	0	111.1	P208 C234	P208-P387 HydrophobicContact CB-CG 4.37Å; P208-P387 WeakPolarHBondContact CB-O 3.46Å; P208-P387 WeakPolarHBondContact CG-O 3.34Å; C234-P387 WeakPolarHBondContact CB-O 3.42Å
388	G	72.4	Confident	91.6	Very high	32 Å²	32	53.8 Å²	53.8	33%	0.33	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67.5	143.4	173.5	0	0	0	0	0	111.5
389	F	70.6	Confident	91.6	Very high	109 Å²	109	53 Å²	53	48%	0.478	30%	0.304	S	S	.	.			trans	-113	105.1	159.3	-178.9	-93.3	0	0	0	107.4	P208 F391	P208-F389 HydrophobicContact CG-CB 3.5Å; P208-F389 VanDerWaalsContact CG-CB 3.5Å; F389-F391 HydrophobicContact CE1-CD2 4.04Å; F389-F391 AromaticContact CE1-CE2 3.57Å; F389-F391 HydrophobicContact CE1-CE2 3.57Å; F389-F391 HydrophobicContact CE1-CZ 4.07Å; F389-F391 HydrophobicContact CZ-CD2 4.41Å; F389-F391 HydrophobicContact CZ-CE1 4.44Å; F389-F391 AromaticContact CZ-CE2 3.87Å; F389-F391 HydrophobicContact CZ-CE2 3.87Å; F389-F391 AromaticContact CZ-CZ 3.89Å; F389-F391 HydrophobicContact CZ-CZ 3.89Å
390	T	75	Confident	91.8	Very high	59 Å²	59	52.1 Å²	52.1	36%	0.362	29%	0.285	S	S	.	.			trans	-131.4	136.8	166.7	56.5	0	0	0	0	108	G604	T390-G604 CarbonylContact C-O 3.52Å; T390-G604 WeakPolarHBondContact CA-O 3.49Å
391	F	85.8	Confident	91.8	Very high	64 Å²	64	46.2 Å²	46.2	28%	0.281	25%	0.254	S	S	.	.			trans	-64.1	153.2	164.4	-70.8	-88.3	0	0	0	109.4	F389 V393 G604 V606 Q607 P608	F389-F391 HydrophobicContact CE1-CD2 4.04Å; F389-F391 AromaticContact CE1-CE2 3.57Å; F389-F391 HydrophobicContact CE1-CE2 3.57Å; F389-F391 HydrophobicContact CE1-CZ 4.07Å; F389-F391 HydrophobicContact CZ-CD2 4.41Å; F389-F391 HydrophobicContact CZ-CE1 4.44Å; F389-F391 AromaticContact CZ-CE2 3.87Å; F389-F391 HydrophobicContact CZ-CE2 3.87Å; F389-F391 AromaticContact CZ-CZ 3.89Å; F389-F391 HydrophobicContact CZ-CZ 3.89Å; F391-V393 PolarHBondContact O-N 2.66Å; F391-G604 PolarHBondContact N-O 3.11Å; F391-V606 VanDerWaalsContact CE2-O 3.25Å; F391-V606 WeakPolarHBondContact CE2-O 3.4Å; F391-Q607 VanDerWaalsContact CB-O 3.28Å; F391-Q607 WeakPolarHBondContact CB-O 3.46Å; F391-Q607 VanDerWaalsContact CG-C 3.47Å; F391-P608 HydrophobicContact CB-CG 4.44Å; F391-P608 HydrophobicContact CD1-CG 4.32Å
392	P	91.6	Very high	91.9	Very high	96 Å²	96	45.7 Å²	45.7	62%	0.623	25%	0.25	S	S	*	.			trans	-57.8	130	178.8	23.5	-33.6	0	0	0	110.9	P608 G609	P392-P608 HydrophobicContact CG-CB 4.24Å; P392-P608 HydrophobicContact CG-CG 4.25Å; P392-P608 WeakPolarHBondContact O-CA 3.1Å; P392-G609 PolarHBondContact O-N 3.14Å; P392-G609 VanDerWaalsContact O-N 3.12Å
393	V	94.6	Very high	91.9	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	175.7	178.7	0	0	0	0	109	F391 K600 A603 G604 G609 C611	F391-V393 PolarHBondContact O-N 2.66Å; V393-K600 HydrophobicContact CB-CD 4.46Å; V393-K600 HydrophobicContact CB-CG 3.85Å; V393-K600 HydrophobicContact CG1-CG 3.6Å; V393-K600 WeakPolarHBondContact O-CE 3.37Å; V393-A603 HydrophobicContact CG1-CB 3.86Å; V393-A603 HydrophobicContact CG2-CB 3.96Å; V393-G604 VanDerWaalsContact CG2-CA 3.4Å; V393-G604 VanDerWaalsContact CG2-N 3.33Å; V393-G609 CarbonylContact C-O 3.49Å; V393-G609 VanDerWaalsContact CA-O 3.26Å; V393-G609 WeakPolarHBondContact CA-O 3.31Å; V393-C611 HydrophobicContact CG1-CB 3.77Å
394	V	97.9	Very high	92	Very high	71 Å²	71	45.6 Å²	45.6	43%	0.43	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.2	173.8	-175.4	0	0	0	0	108.7	Y396 G609 H610 C611	V394-Y396 HydrophobicContact CB-CE2 4.21Å; V394-Y396 HydrophobicContact CG1-CD2 4.46Å; V394-Y396 HydrophobicContact CG1-CE1 4.06Å; V394-Y396 HydrophobicContact CG1-CE2 3.84Å; V394-G609 PolarHBondContact N-O 3.1Å; V394-H610 CarbonylContact O-C 3.49Å; V394-H610 WeakPolarHBondContact O-CA 3.37Å; V394-C611 PolarHBondContact O-N 3.26Å
395	E	98.1	Very high	92.1	Very high	98 Å²	98	46.3 Å²	46.3	46%	0.458	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	139.1	175.1	-71.7	166.6	115.8	0	0	110.2	K600 C611 H613	E395-K600 VanDerWaalsContact CD-NZ 3.29Å; E395-K600 HydrophobicContact CG-CD 3.84Å; E395-K600 HydrophobicContact CG-CG 4.1Å; E395-K600 WeakPolarHBondContact OE1-CD 3.47Å; E395-K600 IonicContact OE1-NZ 2.97Å; E395-K600 WeakPolarHBondContact OE2-CE 3.39Å; E395-K600 IonicContact OE2-NZ 3.82Å; E395-K600 PolarHBondContact OE2-NZ 3.15Å; E395-C611 CarbonylContact C-O 3.52Å; E395-C611 WeakPolarHBondContact CA-O 3.32Å; E395-H613 IonicContact OE1-NE2 2.73Å
396	Y	98.5	Very high	92.2	Very high	40 Å²	40	49.2 Å²	49.2	16%	0.157	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.6	173.2	-58.5	-83.2	0	0	0	108.9	V394 D400 H610 C611 Y612 H613	V394-Y396 HydrophobicContact CB-CE2 4.21Å; V394-Y396 HydrophobicContact CG1-CD2 4.46Å; V394-Y396 HydrophobicContact CG1-CE1 4.06Å; V394-Y396 HydrophobicContact CG1-CE2 3.84Å; Y396-D400 HydrophobicContact CD1-CB 3.98Å; Y396-H610 HydrophobicContact CE2-CB 4.03Å; Y396-H610 AromaticContact CE2-ND1 3.51Å; Y396-H610 AromaticContact CZ-ND1 3.86Å; Y396-H610 PolarHBondContact OH-ND1 2.72Å; Y396-C611 PolarHBondContact N-O 2.87Å; Y396-Y612 AromaticContact CD2-CD1 3.34Å; Y396-Y612 HydrophobicContact CD2-CD1 3.34Å; Y396-Y612 AromaticContact CD2-CE1 3.2Å; Y396-Y612 HydrophobicContact CD2-CE1 3.2Å; Y396-Y612 HydrophobicContact CD2-CG 4.17Å; Y396-Y612 AromaticContact CD2-CZ 3.93Å; Y396-Y612 HydrophobicContact CE2-CD1 4.09Å; Y396-Y612 AromaticContact CE2-CE1 3.46Å; Y396-Y612 HydrophobicContact CE2-CE1 3.46Å; Y396-Y612 VanDerWaalsContact CE2-CE1 3.46Å; Y396-Y612 AromaticContact CE2-CZ 3.83Å; Y396-Y612 AromaticContact CG-CD1 3.76Å; Y396-Y612 HydrophobicContact CG-CD1 3.76Å; Y396-Y612 AromaticContact CG-CE1 3.81Å; Y396-Y612 HydrophobicContact CG-CE1 3.81Å; Y396-H613 PolarHBondContact O-N 3.43Å
397	L	98.4	Very high	92.4	Very high	47 Å²	47	50.2 Å²	50.2	25%	0.246	26%	0.259	C	S	.	.			trans	-88.1	173.6	171.9	-64.6	169.4	0	0	0	110.4	E399 D400 I401 H613 Y615 A620	L397-E399 HydrophobicContact CB-CG 4.14Å; L397-E399 PolarHBondContact O-N 3.31Å; L397-D400 PolarHBondContact N-OD2 3.23Å; L397-D400 PolarHBondContact O-N 3.2Å; L397-I401 WeakPolarHBondContact O-CG1 3.42Å; L397-I401 PolarHBondContact O-N 3.02Å; L397-H613 CarbonylContact C-O 3.13Å; L397-Y615 HydrophobicContact CD2-CD2 4.15Å; L397-Y615 HydrophobicContact CD2-CE2 4.02Å; L397-A620 HydrophobicContact CD2-CB 4.13Å
398	L	97.4	Very high	92.6	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-54.8	-39.1	-179.2	-176.6	60.5	0	0	0	112.5	I401 I402 M465 L474 H613 Y615 N616	L398-I401 PolarHBondContact O-N 3.39Å; L398-I402 HydrophobicContact CD1-CD1 3.83Å; L398-I402 HydrophobicContact CD1-CG1 4.28Å; L398-I402 HydrophobicContact CG-CD1 3.81Å; L398-I402 WeakPolarHBondContact O-CD1 3.27Å; L398-I402 VanDerWaalsContact O-CG1 3.32Å; L398-I402 WeakPolarHBondContact O-CG1 3.46Å; L398-I402 PolarHBondContact O-N 3.36Å; L398-I402 VanDerWaalsContact O-N 3.08Å; L398-M465 HydrophobicContact CD2-CG 4.34Å; L398-L474 HydrophobicContact CD1-CD2 3.6Å; L398-H613 PolarHBondContact N-O 3.44Å; L398-Y615 VanDerWaalsContact CB-C 3.49Å; L398-Y615 WeakPolarHBondContact CB-O 3.49Å; L398-Y615 PolarHBondContact N-O 2.86Å; L398-N616 HydrophobicContact CB-CB 4.37Å
399	E	97.5	Very high	93.3	Very high	3 Å²	3	53 Å²	53	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-43	173.7	51.8	-93.9	-140.4	0	0	113.9	L397 E403 Y446 L450 Y454 T458 I462 N616 G617	L397-E399 HydrophobicContact CB-CG 4.14Å; L397-E399 PolarHBondContact O-N 3.31Å; E399-E403 WeakPolarHBondContact O-CB 3.41Å; E399-E403 PolarHBondContact O-N 3.36Å; E399-E403 VanDerWaalsContact O-N 3.11Å; E399-Y446 PolarHBondContact OE1-OH 3.49Å; E399-Y446 PolarHBondContact OE2-OH 2.95Å; E399-L450 HydrophobicContact CB-CD1 4.04Å; E399-L450 HydrophobicContact CB-CD2 4.48Å; E399-L450 HydrophobicContact CG-CD1 4.08Å; E399-Y454 HydrophobicContact CB-CD1 4.26Å; E399-Y454 HydrophobicContact CB-CD2 4.28Å; E399-Y454 HydrophobicContact CB-CE1 3.98Å; E399-Y454 HydrophobicContact CB-CE2 4Å; E399-Y454 HydrophobicContact CB-CG 4.41Å; E399-Y454 HydrophobicContact CG-CE1 4.08Å; E399-Y454 HydrophobicContact CG-CE2 3.81Å; E399-T458 WeakPolarHBondContact O-CG2 3.44Å; E399-I462 HydrophobicContact CB-CD1 3.71Å; E399-N616 WeakPolarHBondContact OE2-CA 3.32Å; E399-N616 WeakPolarHBondContact OE2-CB 3.42Å; E399-G617 PolarHBondContact OE1-N 3.36Å; E399-G617 VanDerWaalsContact OE1-N 3.07Å; E399-G617 PolarHBondContact OE2-N 2.89Å
400	D	98.1	Very high	93.4	Very high	43 Å²	43	55.9 Å²	55.9	23%	0.23	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-38.8	179.3	-51.6	-56	0	0	0	111.3	Y396 L397 K404 Y454	Y396-D400 HydrophobicContact CD1-CB 3.98Å; L397-D400 PolarHBondContact N-OD2 3.23Å; L397-D400 PolarHBondContact O-N 3.2Å; D400-K404 WeakPolarHBondContact O-CB 3.45Å; D400-K404 PolarHBondContact O-N 3.27Å; D400-Y454 VanDerWaalsContact OD1-CE1 3.3Å; D400-Y454 WeakPolarHBondContact OD1-CE1 3.41Å; D400-Y454 PolarHBondContact OD1-OH 3.11Å
401	I	98.2	Very high	92.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-51.3	177.6	-66.1	164	0	0	0	110.4	L397 L398 E403 K404 I405 L474 L478 Y612 H613 L614	L397-I401 WeakPolarHBondContact O-CG1 3.42Å; L397-I401 PolarHBondContact O-N 3.02Å; L398-I401 PolarHBondContact O-N 3.39Å; I401-E403 PolarHBondContact O-N 2.91Å; I401-K404 PolarHBondContact O-N 2.83Å; I401-I405 HydrophobicContact CG2-CD1 4.3Å; I401-I405 WeakPolarHBondContact O-CG1 3.45Å; I401-I405 PolarHBondContact O-N 3.19Å; I401-L474 HydrophobicContact CG2-CD1 4.13Å; I401-L478 HydrophobicContact CG2-CD1 4.32Å; I401-L478 HydrophobicContact CG2-CD2 4.15Å; I401-Y612 HydrophobicContact CG1-CD1 3.96Å; I401-H613 WeakPolarHBondContact CD1-O 3.37Å; I401-L614 HydrophobicContact CD1-CD1 4.08Å
402	I	97.5	Very high	90.7	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-40.8	-177.9	-67.4	163.4	0	0	0	110.7	L398 R406 Y407 T458 V461 I462 M465	L398-I402 HydrophobicContact CD1-CD1 3.83Å; L398-I402 HydrophobicContact CD1-CG1 4.28Å; L398-I402 HydrophobicContact CG-CD1 3.81Å; L398-I402 WeakPolarHBondContact O-CD1 3.27Å; L398-I402 VanDerWaalsContact O-CG1 3.32Å; L398-I402 WeakPolarHBondContact O-CG1 3.46Å; L398-I402 PolarHBondContact O-N 3.36Å; L398-I402 VanDerWaalsContact O-N 3.08Å; I402-R406 VanDerWaalsContact O-CA 3.25Å; I402-R406 WeakPolarHBondContact O-CA 3.25Å; I402-R406 PolarHBondContact O-N 3.25Å; I402-Y407 PolarHBondContact O-N 3.06Å; I402-T458 HydrophobicContact CB-CG2 4.11Å; I402-T458 HydrophobicContact CG2-CG2 3.91Å; I402-V461 HydrophobicContact CD1-CG1 4.02Å; I402-V461 HydrophobicContact CG1-CG1 4.49Å; I402-V461 HydrophobicContact CG2-CB 4.15Å; I402-V461 HydrophobicContact CG2-CG1 4.09Å; I402-I462 HydrophobicContact CD1-CD1 4.39Å; I402-I462 HydrophobicContact CD1-CG1 3.56Å; I402-M465 HydrophobicContact CD1-CE 4.13Å
403	E	97.6	Very high	88.3	Confident	41 Å²	41	70.5 Å²	70.5	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-41.6	176	-171.9	72.2	-152.4	0	0	112	E399 I401 R406 Y454 S455 T458	E399-E403 WeakPolarHBondContact O-CB 3.41Å; E399-E403 PolarHBondContact O-N 3.36Å; E399-E403 VanDerWaalsContact O-N 3.11Å; I401-E403 PolarHBondContact O-N 2.91Å; E403-R406 WeakPolarHBondContact O-CD 3.01Å; E403-R406 VanDerWaalsContact O-CZ 3.22Å; E403-R406 PolarHBondContact O-NE 2.92Å; E403-R406 VanDerWaalsContact O-NE 3.08Å; E403-R406 PolarHBondContact O-NH2 3.19Å; E403-R406 IonicContact OE1-CZ 2.7Å; E403-R406 IonicContact OE1-NH1 2.69Å; E403-R406 PolarHBondContact OE1-NH1 2.9Å; E403-R406 IonicContact OE1-NH2 3.11Å; E403-R406 PolarHBondContact OE1-NH2 2.84Å; E403-R406 IonicContact OE2-NH1 2.68Å; E403-R406 PolarHBondContact OE2-NH1 3.35Å; E403-Y454 HydrophobicContact CB-CD1 3.95Å; E403-Y454 HydrophobicContact CG-CD1 4.05Å; E403-S455 VanDerWaalsContact OE2-CB 3.3Å; E403-S455 WeakPolarHBondContact OE2-CB 3.5Å; E403-S455 PolarHBondContact OE2-N 3.4Å; E403-S455 PolarHBondContact OE2-OG 2.98Å; E403-T458 WeakPolarHBondContact CA-OG1 3.41Å; E403-T458 HydrophobicContact CB-CG2 4.21Å; E403-T458 VanDerWaalsContact OE2-CB 3.24Å; E403-T458 WeakPolarHBondContact OE2-CB 3.5Å; E403-T458 PolarHBondContact OE2-OG1 3Å
404	K	97	Very high	85.6	Confident	67 Å²	67	78.7 Å²	78.7	29%	0.291	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-48	-178.8	-169.8	-179.7	-135	-82.2	0	112.2	D400 I401 Y481 E486 Y612	D400-K404 WeakPolarHBondContact O-CB 3.45Å; D400-K404 PolarHBondContact O-N 3.27Å; I401-K404 PolarHBondContact O-N 2.83Å; K404-Y481 HydrophobicContact CD-CE1 3.88Å; K404-Y481 HydrophobicContact CG-CE1 4.13Å; K404-Y481 HydrophobicContact CG-CE2 4.43Å; K404-Y481 PolarHBondContact NZ-OH 3.18Å; K404-E486 IonicContact NZ-OE1 3.67Å; K404-E486 PolarHBondContact NZ-OE1 3.45Å; K404-Y612 HydrophobicContact CD-CE1 4.49Å
405	I	97.2	Very high	82.7	Confident	29 Å²	29	82.8 Å²	82.8	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-94.8	-3.7	-175	83.3	-179.3	0	0	0	113.9	I401 Y407 L474 A477 L478 Y481	I401-I405 HydrophobicContact CG2-CD1 4.3Å; I401-I405 WeakPolarHBondContact O-CG1 3.45Å; I401-I405 PolarHBondContact O-N 3.19Å; I405-Y407 VanDerWaalsContact C-N 3.31Å; I405-Y407 PolarHBondContact O-N 2.91Å; I405-L474 HydrophobicContact CD1-CD1 3.9Å; I405-A477 HydrophobicContact CD1-CB 3.95Å; I405-L478 HydrophobicContact CD1-CB 4.21Å; I405-L478 HydrophobicContact CG2-CD1 4.13Å; I405-Y481 HydrophobicContact CB-CD2 4.28Å; I405-Y481 HydrophobicContact CB-CG 4.33Å; I405-Y481 HydrophobicContact CG2-CD1 3.86Å; I405-Y481 HydrophobicContact CG2-CD2 3.81Å; I405-Y481 HydrophobicContact CG2-CE1 4.47Å; I405-Y481 HydrophobicContact CG2-CE2 4.42Å; I405-Y481 HydrophobicContact CG2-CG 3.52Å
406	R	96.6	Very high	79.6	Confident	139 Å²	139	81.4 Å²	81.4	53%	0.525	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	47.5	-176.5	-57.5	-64.7	174.8	-170	-12.9	112.6	I402 E403 V408 S455	I402-R406 VanDerWaalsContact O-CA 3.25Å; I402-R406 WeakPolarHBondContact O-CA 3.25Å; I402-R406 PolarHBondContact O-N 3.25Å; E403-R406 WeakPolarHBondContact O-CD 3.01Å; E403-R406 VanDerWaalsContact O-CZ 3.22Å; E403-R406 PolarHBondContact O-NE 2.92Å; E403-R406 VanDerWaalsContact O-NE 3.08Å; E403-R406 PolarHBondContact O-NH2 3.19Å; E403-R406 IonicContact OE1-CZ 2.7Å; E403-R406 IonicContact OE1-NH1 2.69Å; E403-R406 PolarHBondContact OE1-NH1 2.9Å; E403-R406 IonicContact OE1-NH2 3.11Å; E403-R406 PolarHBondContact OE1-NH2 2.84Å; E403-R406 IonicContact OE2-NH1 2.68Å; E403-R406 PolarHBondContact OE2-NH1 3.35Å; R406-V408 PolarHBondContact O-N 2.97Å; R406-S455 PolarHBondContact NH1-OG 3.23Å; R406-S455 VanDerWaalsContact NH1-OG 3.15Å
407	Y	94.9	Very high	76.5	Confident	21 Å²	21	88 Å²	88	8%	0.082	42%	0.416	C	S	.	.			trans	-60.7	131.4	-174.4	-178.4	-119.1	0	0	0	112.2	I402 I405 P409 V461 M465 D471 N473 L474 A477	I402-Y407 PolarHBondContact O-N 3.06Å; I405-Y407 VanDerWaalsContact C-N 3.31Å; I405-Y407 PolarHBondContact O-N 2.91Å; Y407-P409 HydrophobicContact CD1-CG 4.17Å; Y407-P409 HydrophobicContact CE1-CB 4.29Å; Y407-P409 HydrophobicContact CE1-CG 3.78Å; Y407-V461 HydrophobicContact CD1-CG1 4.21Å; Y407-M465 HydrophobicContact CD1-CE 3.87Å; Y407-M465 HydrophobicContact CE1-CE 3.68Å; Y407-D471 WeakPolarHBondContact CE1-OD2 3.48Å; Y407-D471 PolarHBondContact OH-OD1 3.37Å; Y407-D471 PolarHBondContact OH-OD2 3.1Å; Y407-N473 WeakPolarHBondContact OH-CB 3.45Å; Y407-L474 HydrophobicContact CD1-CB 4.45Å; Y407-L474 HydrophobicContact CD1-CD1 3.74Å; Y407-L474 HydrophobicContact CD2-CD1 4.04Å; Y407-L474 HydrophobicContact CE1-CB 3.97Å; Y407-L474 HydrophobicContact CE1-CD1 4.13Å; Y407-L474 HydrophobicContact CE2-CB 4.28Å; Y407-L474 HydrophobicContact CE2-CD1 4.44Å; Y407-L474 HydrophobicContact CG-CD1 3.67Å; Y407-L474 PolarHBondContact OH-N 3.1Å; Y407-A477 HydrophobicContact CD2-CB 3.98Å; Y407-A477 HydrophobicContact CE2-CB 4.2Å
408	V	90.3	Very high	73.3	Confident	115 Å²	115	94.1 Å²	94.1	70%	0.697	44%	0.44	S	S	*	.			trans	-121.7	112.8	172.9	-178.9	0	0	0	0	107.9	R406 E410	R406-V408 PolarHBondContact O-N 2.97Å; V408-E410 PolarHBondContact O-N 2.8Å
409	P	86.1	Confident	70.2	Confident	43 Å²	43	100.6 Å²	100.6	28%	0.279	47%	0.468	S	S	.	.			trans	-60.9	133.8	177.2	-22.7	32.1	0	0	0	112.1	Y407 Q411 V461	Y407-P409 HydrophobicContact CD1-CG 4.17Å; Y407-P409 HydrophobicContact CE1-CB 4.29Å; Y407-P409 HydrophobicContact CE1-CG 3.78Å; P409-Q411 PolarHBondContact O-N 2.77Å; P409-V461 HydrophobicContact CG-CG1 4.06Å
410	E	72.9	Confident	67.4	Low	170 Å²	170	108 Å²	108	79%	0.794	50%	0.496	S	S	*	.	S	Bend	trans	-67.3	-21.8	-180	-65	-174	163.5	0	0	113.3	V408	V408-E410 PolarHBondContact O-N 2.8Å
411	Q	59.8	Low	64.5	Low	154 Å²	154	108.5 Å²	108.5	72%	0.72	51%	0.511	S	S	*	.			trans	-99.8	109.6	-178.5	-68.5	-166.9	-13.9	0	0	112.5	P409 E413	P409-Q411 PolarHBondContact O-N 2.77Å; Q411-E413 VanDerWaalsContact C-N 3.32Å
412	K	44.4	Very low	61.4	Low	211 Å²	211	116.6 Å²	116.6	92%	0.917	55%	0.547	S	S	*	.			trans	-94.8	17.8	163.2	-136.6	179.8	-168.3	177.5	0	112.6	H414	K412-H414 PolarHBondContact O-N 2.94Å
413	E	40.6	Very low	58.1	Low	161 Å²	161	122.3 Å²	122.3	75%	0.752	58%	0.575	S	S	*	*			trans	-64.5	128.8	175.3	-75.2	-155.1	144.7	0	0	110.1	Q411 R415	Q411-E413 VanDerWaalsContact C-N 3.32Å; E413-R415 PolarHBondContact O-N 3.1Å
414	H	37.8	Very low	55.1	Low	187 Å²	187	125.5 Å²	125.5	87%	0.866	59%	0.59	S	S	*	*			trans	-51	126.3	176.6	-89.6	-70.2	0	0	0	110.7	K412 S416	K412-H414 PolarHBondContact O-N 2.94Å; H414-S416 PolarHBondContact O-N 3.37Å
415	R	38.6	Very low	52.3	Low	157 Å²	157	123 Å²	123	59%	0.592	58%	0.583	S	S	*	*			trans	-42.9	111.6	161.1	-79.7	-179.8	172.2	157.6	-1.2	108	E413 Q417 E463 M464 M465	E413-R415 PolarHBondContact O-N 3.1Å; R415-Q417 HydrophobicContact CB-CG 4.17Å; R415-Q417 PolarHBondContact O-N 2.93Å; R415-E463 PolarHBondContact NH1-O 3.02Å; R415-E463 PolarHBondContact NH2-O 3.03Å; R415-M464 VanDerWaalsContact NH2-C 3.29Å; R415-M464 PolarHBondContact NH2-O 3.24Å; R415-M465 PolarHBondContact NH2-O 2.87Å
416	S	32.8	Very low	49.8	Very low	69 Å²	69	125.7 Å²	125.7	48%	0.483	60%	0.595	S	S	.	*			trans	-68.2	84.9	164.8	63.4	0	0	0	0	106.9	H414 F418	H414-S416 PolarHBondContact O-N 3.37Å; S416-F418 PolarHBondContact O-N 3.28Å
417	Q	32.6	Very low	47.4	Very low	179 Å²	179	120.8 Å²	120.8	84%	0.836	58%	0.58	S	S	*	*			trans	-60.9	-2.2	-174.7	-72.8	179.6	-16.7	0	0	113.7	R415 K419	R415-Q417 HydrophobicContact CB-CG 4.17Å; R415-Q417 PolarHBondContact O-N 2.93Å; Q417-K419 PolarHBondContact O-N 3.44Å; Q417-K419 VanDerWaalsContact O-N 3.11Å
418	F	30.6	Very low	45.5	Very low	175 Å²	175	122.2 Å²	122.2	77%	0.768	59%	0.59	S	S	*	*	S	Bend	trans	-73.8	96	168.8	-90.7	-93.5	0	0	0	112.5	S416	S416-F418 PolarHBondContact O-N 3.28Å
419	K	33.7	Very low	44.3	Very low	147 Å²	147	120.5 Å²	120.5	64%	0.639	57%	0.57	S	S	*	*			trans	46.9	72.7	142.3	-61.1	-176.6	174.3	-174.9	0	116.7	Q417	Q417-K419 PolarHBondContact O-N 3.44Å; Q417-K419 VanDerWaalsContact O-N 3.11Å
420	R	38.7	Very low	43.6	Very low	160 Å²	160	126.3 Å²	126.3	60%	0.604	59%	0.594	S	S	*	*	S	Bend	trans	-94.6	-41.2	167.1	-72.8	-173.2	177.5	170.8	0.4	114.6	F422 M423 Q424	R420-F422 PolarHBondContact O-N 2.91Å; R420-M423 WeakPolarHBondContact O-CA 3.43Å; R420-M423 PolarHBondContact O-N 3.04Å; R420-Q424 PolarHBondContact O-N 3.38Å
421	G	37.4	Very low	43.9	Very low	53 Å²	53	124 Å²	124	55%	0.546	58%	0.583	S	S	.	*	H	α-helix	trans	-55.5	-36.3	174.6	0	0	0	0	0	113.8
422	F	31.7	Very low	44.9	Very low	169 Å²	169	119 Å²	119	74%	0.741	56%	0.559	S	S	*	*	H	α-helix	trans	-82.5	-6.1	175.6	-142.8	-88.5	0	0	0	114.3	R420 S895	R420-F422 PolarHBondContact O-N 2.91Å; F422-S895 WeakPolarHBondContact O-CA 3.3Å; F422-S895 WeakPolarHBondContact O-CB 3.25Å
423	M	29	Very low	46.8	Very low	122 Å²	122	114.6 Å²	114.6	60%	0.601	54%	0.542	S	S	*	.	H	α-helix	trans	-107.2	-21.5	179	-85.2	-176.6	100.9	0	0	114.3	R420 T894 S895	R420-M423 WeakPolarHBondContact O-CA 3.43Å; R420-M423 PolarHBondContact O-N 3.04Å; M423-T894 WeakPolarHBondContact O-CB 3.3Å; M423-S895 PolarHBondContact O-N 3.02Å; M423-S895 VanDerWaalsContact O-N 3.16Å
424	Q	35.1	Very low	49	Very low	108 Å²	108	112.9 Å²	112.9	51%	0.505	53%	0.534	S	S	.	.	H	α-helix	trans	-99.9	-11.7	175.5	-69.7	-172.7	-28.5	0	0	113.8	R420 H426 T894	R420-Q424 PolarHBondContact O-N 3.38Å; Q424-H426 VanDerWaalsContact C-N 3.28Å; Q424-H426 PolarHBondContact O-N 2.93Å; Q424-H426 VanDerWaalsContact O-N 3.14Å; Q424-T894 WeakPolarHBondContact O-CA 3.46Å; Q424-T894 WeakPolarHBondContact O-CB 3.5Å; Q424-T894 WeakPolarHBondContact O-CG2 3.38Å
425	G	36.8	Very low	51.4	Low	15 Å²	15	106.6 Å²	106.6	16%	0.155	50%	0.504	C	S	.	.			trans	44.3	48	167	0	0	0	0	0	115.7	V427 R893 T894	G425-V427 PolarHBondContact O-N 2.89Å; G425-R893 CarbonylContact O-C 3.59Å; G425-T894 WeakPolarHBondContact CA-O 3.46Å
426	H	44.7	Very low	53.9	Low	85 Å²	85	100.6 Å²	100.6	39%	0.394	48%	0.483	S	S	.	.			trans	-44.9	126	158.2	-63.9	-88.9	0	0	0	109.1	Q424 N428	Q424-H426 VanDerWaalsContact C-N 3.28Å; Q424-H426 PolarHBondContact O-N 2.93Å; Q424-H426 VanDerWaalsContact O-N 3.14Å; H426-N428 PolarHBondContact O-N 3.48Å
427	V	48.1	Very low	56.6	Low	36 Å²	36	100 Å²	100	22%	0.218	48%	0.482	C	S	.	.			trans	-73.9	88.7	168.1	178.8	0	0	0	0	106.1	G425 R429 D578 T585 R893	G425-V427 PolarHBondContact O-N 2.89Å; V427-R429 PolarHBondContact O-N 3.14Å; V427-D578 HydrophobicContact CG1-CB 4.4Å; V427-T585 HydrophobicContact CG2-CG2 3.94Å; V427-R893 HydrophobicContact CG2-CB 4.27Å
428	N	53.7	Low	59.5	Low	51 Å²	51	93.6 Å²	93.6	27%	0.273	45%	0.453	S	S	.	.			trans	-73	127.7	168.2	-86.1	1.2	0	0	0	108.6	H426 K432 E433	H426-N428 PolarHBondContact O-N 3.48Å; N428-K432 HydrophobicContact CB-CD 4.46Å; N428-K432 VanDerWaalsContact OD1-CD 3.3Å; N428-K432 WeakPolarHBondContact OD1-CD 3.46Å; N428-K432 WeakPolarHBondContact OD1-CE 3.5Å; N428-K432 PolarHBondContact OD1-NZ 2.91Å; N428-E433 HydrophobicContact CB-CG 3.56Å
429	R	65.8	Low	62.5	Low	78 Å²	78	86 Å²	86	29%	0.294	42%	0.419	S	S	.	.			trans	-60.7	149.9	160.8	-82.7	-177.3	166.4	179.9	-3.4	110	V427 E431 K432 E433 L628 L632	V427-R429 PolarHBondContact O-N 3.14Å; R429-E431 IonicContact NH1-OE2 3.85Å; R429-E431 PolarHBondContact O-N 3.43Å; R429-K432 HydrophobicContact CB-CB 4.34Å; R429-K432 WeakPolarHBondContact O-CA 3.5Å; R429-K432 WeakPolarHBondContact O-CB 3.34Å; R429-K432 PolarHBondContact O-N 3Å; R429-E433 PolarHBondContact O-N 3.43Å; R429-L628 VanDerWaalsContact NH2-CD2 3.3Å; R429-L632 PolarHBondContact NH2-O 3.05Å
430	Q	71.9	Confident	65.3	Low	166 Å²	166	85.9 Å²	85.9	78%	0.776	42%	0.419	S	S	*	.	H	α-helix	trans	-51.8	-44	173	-175.2	175.5	-14.1	0	0	112.1	K432 E433 E434	Q430-K432 VanDerWaalsContact C-N 3.29Å; Q430-K432 PolarHBondContact O-N 3.13Å; Q430-E433 PolarHBondContact O-N 3.29Å; Q430-E434 PolarHBondContact O-N 3.03Å
431	E	78.3	Confident	68	Low	122 Å²	122	85.5 Å²	85.5	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-58.5	-37.1	174.8	-59.9	166.5	160.1	0	0	112.8	R429 K435	R429-E431 IonicContact NH1-OE2 3.85Å; R429-E431 PolarHBondContact O-N 3.43Å; E431-K435 WeakPolarHBondContact O-CG 3.31Å; E431-K435 PolarHBondContact O-N 3.09Å; E431-K435 VanDerWaalsContact O-N 3.09Å
432	K	81.3	Confident	70.9	Confident	48 Å²	48	89.1 Å²	89.1	21%	0.209	42%	0.421	C	S	.	.	H	α-helix	trans	-73.1	-40.3	176.7	-177.5	177	171.1	-166.2	0	110.9	N428 R429 Q430 E434 K435 E436 E589	N428-K432 HydrophobicContact CB-CD 4.46Å; N428-K432 VanDerWaalsContact OD1-CD 3.3Å; N428-K432 WeakPolarHBondContact OD1-CD 3.46Å; N428-K432 WeakPolarHBondContact OD1-CE 3.5Å; N428-K432 PolarHBondContact OD1-NZ 2.91Å; R429-K432 HydrophobicContact CB-CB 4.34Å; R429-K432 WeakPolarHBondContact O-CA 3.5Å; R429-K432 WeakPolarHBondContact O-CB 3.34Å; R429-K432 PolarHBondContact O-N 3Å; Q430-K432 VanDerWaalsContact C-N 3.29Å; Q430-K432 PolarHBondContact O-N 3.13Å; K432-E434 VanDerWaalsContact C-N 3.32Å; K432-E434 PolarHBondContact O-N 2.93Å; K432-K435 PolarHBondContact O-N 3.22Å; K432-E436 WeakPolarHBondContact O-CG 3.46Å; K432-E436 PolarHBondContact O-N 2.74Å; K432-E589 WeakPolarHBondContact CD-OE2 3.38Å; K432-E589 WeakPolarHBondContact CE-OE2 3.4Å; K432-E589 IonicContact NZ-OE1 2.67Å; K432-E589 PolarHBondContact NZ-OE1 3.42Å; K432-E589 IonicContact NZ-OE2 2.71Å; K432-E589 PolarHBondContact NZ-OE2 3.22Å
433	E	82.8	Confident	73.9	Confident	119 Å²	119	83.8 Å²	83.8	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-39.3	174.3	-59.9	-160.7	141.2	0	0	112.1	N428 R429 Q430 E436 A437	N428-E433 HydrophobicContact CB-CG 3.56Å; R429-E433 PolarHBondContact O-N 3.43Å; Q430-E433 PolarHBondContact O-N 3.29Å; E433-E436 PolarHBondContact O-N 3.1Å; E433-A437 WeakPolarHBondContact O-CB 3.45Å; E433-A437 PolarHBondContact O-N 2.93Å
434	E	87.6	Confident	77.1	Confident	125 Å²	125	81.4 Å²	81.4	58%	0.584	39%	0.39	S	S	*	.	H	α-helix	trans	-60.2	-49.1	173.5	-176.8	176	-177.9	0	0	111.5	Q430 K432 E436 A437 I438	Q430-E434 PolarHBondContact O-N 3.03Å; K432-E434 VanDerWaalsContact C-N 3.32Å; K432-E434 PolarHBondContact O-N 2.93Å; E434-E436 PolarHBondContact O-N 3.08Å; E434-A437 WeakPolarHBondContact O-CB 3.49Å; E434-A437 PolarHBondContact O-N 3.33Å; E434-A437 VanDerWaalsContact O-N 3.15Å; E434-I438 HydrophobicContact CG-CD1 4.19Å; E434-I438 WeakPolarHBondContact O-CG1 3.42Å; E434-I438 PolarHBondContact O-N 3.21Å
435	K	89.2	Confident	79.9	Confident	54 Å²	54	80.8 Å²	80.8	24%	0.235	39%	0.39	C	S	.	.	H	α-helix	trans	-62.6	-40.3	175.3	-74.7	-171.4	175.9	-163.2	0	113.6	E431 K432 A437 I438 Y439 L622 D624	E431-K435 WeakPolarHBondContact O-CG 3.31Å; E431-K435 PolarHBondContact O-N 3.09Å; E431-K435 VanDerWaalsContact O-N 3.09Å; K432-K435 PolarHBondContact O-N 3.22Å; K435-A437 VanDerWaalsContact C-N 3.27Å; K435-A437 PolarHBondContact O-N 2.95Å; K435-I438 PolarHBondContact O-N 3.1Å; K435-Y439 WeakPolarHBondContact O-CB 3.39Å; K435-Y439 PolarHBondContact O-N 3.46Å; K435-L622 PolarHBondContact NZ-O 3Å; K435-D624 IonicContact NZ-OD1 2.74Å; K435-D624 PolarHBondContact NZ-OD1 3.32Å; K435-D624 IonicContact NZ-OD2 3.54Å; K435-D624 PolarHBondContact NZ-OD2 3.28Å
436	E	89.4	Confident	82.7	Confident	32 Å²	32	81.1 Å²	81.1	15%	0.15	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-26.6	175.3	-68.9	-54.2	145.6	0	0	112.5	K432 E433 E434 K440 R619	K432-E436 WeakPolarHBondContact O-CG 3.46Å; K432-E436 PolarHBondContact O-N 2.74Å; E433-E436 PolarHBondContact O-N 3.1Å; E434-E436 PolarHBondContact O-N 3.08Å; E436-K440 WeakPolarHBondContact O-CD 3.45Å; E436-K440 VanDerWaalsContact O-CG 3.25Å; E436-K440 WeakPolarHBondContact O-CG 3.4Å; E436-K440 PolarHBondContact O-N 2.96Å; E436-R619 IonicContact OE1-CZ 2.67Å; E436-R619 IonicContact OE1-NH1 3.18Å; E436-R619 PolarHBondContact OE1-NH1 2.9Å; E436-R619 IonicContact OE1-NH2 3.85Å; E436-R619 PolarHBondContact OE1-NH2 2.85Å; E436-R619 VanDerWaalsContact OE1-NH2 3.14Å; E436-R619 IonicContact OE2-CZ 2.78Å; E436-R619 IonicContact OE2-NH1 3.52Å; E436-R619 IonicContact OE2-NH2 2.7Å; E436-R619 PolarHBondContact OE2-NH2 3.1Å
437	A	90.1	Very high	85.1	Confident	56 Å²	56	77.6 Å²	77.6	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-48.1	170.4	0	0	0	0	0	111	E433 E434 K435 Y439 K440 E441	E433-A437 WeakPolarHBondContact O-CB 3.45Å; E433-A437 PolarHBondContact O-N 2.93Å; E434-A437 WeakPolarHBondContact O-CB 3.49Å; E434-A437 PolarHBondContact O-N 3.33Å; E434-A437 VanDerWaalsContact O-N 3.15Å; K435-A437 VanDerWaalsContact C-N 3.27Å; K435-A437 PolarHBondContact O-N 2.95Å; A437-Y439 VanDerWaalsContact C-N 3.31Å; A437-Y439 PolarHBondContact O-N 3.26Å; A437-K440 PolarHBondContact O-N 3.35Å; A437-E441 PolarHBondContact O-N 3.35Å
438	I	94.3	Very high	87.3	Confident	45 Å²	45	83.6 Å²	83.6	23%	0.231	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-40.3	176.4	-64.9	164.3	0	0	0	111.4	E434 K435 E441 R442 L622	E434-I438 HydrophobicContact CG-CD1 4.19Å; E434-I438 WeakPolarHBondContact O-CG1 3.42Å; E434-I438 PolarHBondContact O-N 3.21Å; K435-I438 PolarHBondContact O-N 3.1Å; I438-E441 PolarHBondContact O-N 3.28Å; I438-R442 WeakPolarHBondContact O-CB 3.41Å; I438-R442 WeakPolarHBondContact O-CG 3.46Å; I438-R442 PolarHBondContact O-N 3Å; I438-L622 HydrophobicContact CG2-CD1 4.21Å; I438-L622 HydrophobicContact CG2-CD2 3.93Å
439	Y	93.9	Very high	89.3	Confident	15 Å²	15	85.6 Å²	85.6	6%	0.059	40%	0.397	C	S	.	.	H	α-helix	trans	-60.3	-47	175.2	-178.5	-105.6	0	0	0	111.6	K435 A437 R442 W443 D467 N616 L618 R619 L622	K435-Y439 WeakPolarHBondContact O-CB 3.39Å; K435-Y439 PolarHBondContact O-N 3.46Å; A437-Y439 VanDerWaalsContact C-N 3.31Å; A437-Y439 PolarHBondContact O-N 3.26Å; Y439-R442 PolarHBondContact O-N 3.47Å; Y439-W443 HydrophobicContact CE1-CE3 4.29Å; Y439-W443 HydrophobicContact CE2-CE3 4.46Å; Y439-W443 AromaticContact CZ-CE3 3.99Å; Y439-W443 AromaticContact CZ-CZ3 3.98Å; Y439-W443 WeakPolarHBondContact O-CB 3.49Å; Y439-W443 PolarHBondContact O-N 3.47Å; Y439-D467 WeakPolarHBondContact CE1-OD2 3.38Å; Y439-D467 VanDerWaalsContact CZ-OD2 3.27Å; Y439-D467 PolarHBondContact OH-OD1 3.07Å; Y439-D467 PolarHBondContact OH-OD2 3.41Å; Y439-N616 PolarHBondContact OH-ND2 2.71Å; Y439-L618 HydrophobicContact CD2-CB 4.47Å; Y439-L618 HydrophobicContact CD2-CD2 3.64Å; Y439-L618 HydrophobicContact CD2-CG 3.69Å; Y439-L618 HydrophobicContact CE2-CB 4.15Å; Y439-L618 HydrophobicContact CE2-CD2 3.78Å; Y439-L618 HydrophobicContact CE2-CG 3.85Å; Y439-L618 HydrophobicContact CG-CD2 4.37Å; Y439-R619 HydrophobicContact CE2-CB 4Å; Y439-L622 HydrophobicContact CD2-CD1 4.06Å; Y439-L622 HydrophobicContact CG-CD1 4.44Å
440	K	92.3	Very high	90.6	Very high	145 Å²	145	81.9 Å²	81.9	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-67	-35.4	178.2	-72.4	165.4	-170.4	159.9	0	113.2	E436 A437	E436-K440 WeakPolarHBondContact O-CD 3.45Å; E436-K440 VanDerWaalsContact O-CG 3.25Å; E436-K440 WeakPolarHBondContact O-CG 3.4Å; E436-K440 PolarHBondContact O-N 2.96Å; A437-K440 PolarHBondContact O-N 3.35Å
441	E	95.5	Very high	91.7	Very high	151 Å²	151	79.2 Å²	79.2	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-63.8	-45.8	175.4	-174.1	-174.1	175.7	0	0	111.3	A437 I438 P444	A437-E441 PolarHBondContact O-N 3.35Å; I438-E441 PolarHBondContact O-N 3.28Å; E441-P444 VanDerWaalsContact O-CD 3.32Å; E441-P444 WeakPolarHBondContact O-CD 3.07Å
442	R	96.8	Very high	92.5	Very high	129 Å²	129	83.9 Å²	83.9	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-81.7	-16.6	-177.1	-65.6	179.5	-176.3	-171.4	3	114.4	I438 Y439 P444 D445 Y446 L618	I438-R442 WeakPolarHBondContact O-CB 3.41Å; I438-R442 WeakPolarHBondContact O-CG 3.46Å; I438-R442 PolarHBondContact O-N 3Å; Y439-R442 PolarHBondContact O-N 3.47Å; R442-P444 VanDerWaalsContact C-CD 3.48Å; R442-D445 PolarHBondContact O-N 3.42Å; R442-Y446 PolarHBondContact O-N 3.4Å; R442-Y446 VanDerWaalsContact O-N 3.11Å; R442-L618 HydrophobicContact CB-CD1 3.8Å; R442-L618 HydrophobicContact CB-CD2 4.15Å
443	W	95.2	Very high	93.2	Very high	57 Å²	57	88 Å²	88	22%	0.216	39%	0.393	C	S	.	.	H	α-helix	trans	-50.6	-47.4	-177.2	-178.9	-101.6	0	0	0	114.9	Y439 D445 Y446 V447 I462 E463 L618	Y439-W443 HydrophobicContact CE1-CE3 4.29Å; Y439-W443 HydrophobicContact CE2-CE3 4.46Å; Y439-W443 AromaticContact CZ-CE3 3.99Å; Y439-W443 AromaticContact CZ-CZ3 3.98Å; Y439-W443 WeakPolarHBondContact O-CB 3.49Å; Y439-W443 PolarHBondContact O-N 3.47Å; W443-D445 VanDerWaalsContact C-N 3.34Å; W443-D445 PolarHBondContact O-N 3.14Å; W443-Y446 HydrophobicContact CE3-CD1 4.2Å; W443-Y446 HydrophobicContact CZ3-CD1 4.14Å; W443-Y446 HydrophobicContact CZ3-CE1 4.29Å; W443-Y446 PolarHBondContact O-N 3.06Å; W443-V447 HydrophobicContact CD2-CG2 4Å; W443-V447 HydrophobicContact CG-CG2 4.43Å; W443-V447 HydrophobicContact CH2-CG2 4.36Å; W443-V447 HydrophobicContact CZ2-CG2 3.74Å; W443-V447 WeakPolarHBondContact O-CG2 3.03Å; W443-V447 PolarHBondContact O-N 3.29Å; W443-I462 HydrophobicContact CH2-CG2 3.99Å; W443-E463 HydrophobicContact CZ2-CG 4.07Å; W443-L618 HydrophobicContact CE3-CD2 4.13Å
444	P	95.6	Very high	93.9	Very high	73 Å²	73	84.1 Å²	84.1	47%	0.474	37%	0.373	S	S	.	.	H	α-helix	trans	-64.6	-36.7	-175.3	-21.6	35.1	0	0	0	113.3	E441 R442 R448	E441-P444 VanDerWaalsContact O-CD 3.32Å; E441-P444 WeakPolarHBondContact O-CD 3.07Å; R442-P444 VanDerWaalsContact C-CD 3.48Å; P444-R448 WeakPolarHBondContact O-CB 3.42Å; P444-R448 PolarHBondContact O-N 3.09Å; P444-R448 VanDerWaalsContact O-N 3.08Å
445	D	95.4	Very high	94.3	Very high	95 Å²	95	79.6 Å²	79.6	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-78.1	-35.6	179.6	-74	-37.5	0	0	0	112.3	R442 W443 R448 E449	R442-D445 PolarHBondContact O-N 3.42Å; W443-D445 VanDerWaalsContact C-N 3.34Å; W443-D445 PolarHBondContact O-N 3.14Å; D445-R448 WeakPolarHBondContact O-CB 3.48Å; D445-R448 PolarHBondContact O-N 3Å; D445-R448 IonicContact OD1-CZ 2.72Å; D445-R448 VanDerWaalsContact OD1-CZ 3.25Å; D445-R448 IonicContact OD1-NE 2.67Å; D445-R448 PolarHBondContact OD1-NE 2.7Å; D445-R448 IonicContact OD1-NH2 3.37Å; D445-R448 PolarHBondContact OD1-NH2 3.43Å; D445-E449 PolarHBondContact O-N 3.3Å
446	Y	95.6	Very high	94.6	Very high	21 Å²	21	79.9 Å²	79.9	8%	0.082	37%	0.368	C	S	.	.	H	α-helix	trans	-58.1	-50	169.6	173.6	-108.5	0	0	0	111.7	E399 R442 W443 R448 E449 L450 N616 G617 L618	E399-Y446 PolarHBondContact OE1-OH 3.49Å; E399-Y446 PolarHBondContact OE2-OH 2.95Å; R442-Y446 PolarHBondContact O-N 3.4Å; R442-Y446 VanDerWaalsContact O-N 3.11Å; W443-Y446 HydrophobicContact CE3-CD1 4.2Å; W443-Y446 HydrophobicContact CZ3-CD1 4.14Å; W443-Y446 HydrophobicContact CZ3-CE1 4.29Å; W443-Y446 PolarHBondContact O-N 3.06Å; Y446-R448 VanDerWaalsContact C-N 3.31Å; Y446-R448 PolarHBondContact O-N 2.67Å; Y446-E449 PolarHBondContact O-N 3Å; Y446-L450 HydrophobicContact CE1-CD2 4.12Å; Y446-L450 HydrophobicContact CE2-CD1 4.34Å; Y446-L450 WeakPolarHBondContact O-CB 3.34Å; Y446-L450 PolarHBondContact O-N 3.28Å; Y446-N616 HydrophobicContact CE1-CB 4.25Å; Y446-G617 PolarHBondContact OH-N 2.97Å; Y446-G617 VanDerWaalsContact OH-N 3.13Å; Y446-L618 HydrophobicContact CD1-CB 3.82Å; Y446-L618 HydrophobicContact CD1-CD2 4.33Å; Y446-L618 HydrophobicContact CD2-CB 3.81Å; Y446-L618 HydrophobicContact CE1-CB 4.1Å; Y446-L618 HydrophobicContact CE2-CB 4.08Å; Y446-L618 HydrophobicContact CG-CB 3.67Å; Y446-L618 HydrophobicContact CG-CD2 4.23Å; Y446-L618 HydrophobicContact CG-CG 4.45Å
447	V	94.9	Very high	94.8	Very high	11 Å²	11	81.8 Å²	81.8	7%	0.067	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-39.1	176.8	171.1	0	0	0	0	111.6	W443 E449 L450 R451 V459 E463	W443-V447 HydrophobicContact CD2-CG2 4Å; W443-V447 HydrophobicContact CG-CG2 4.43Å; W443-V447 HydrophobicContact CH2-CG2 4.36Å; W443-V447 HydrophobicContact CZ2-CG2 3.74Å; W443-V447 WeakPolarHBondContact O-CG2 3.03Å; W443-V447 PolarHBondContact O-N 3.29Å; V447-E449 VanDerWaalsContact C-N 3.33Å; V447-E449 PolarHBondContact O-N 2.8Å; V447-L450 PolarHBondContact O-N 2.84Å; V447-R451 WeakPolarHBondContact O-CG 3.22Å; V447-R451 PolarHBondContact O-N 3.48Å; V447-V459 HydrophobicContact CG1-CG1 3.87Å; V447-E463 HydrophobicContact CG1-CG 4.46Å; V447-E463 HydrophobicContact CG2-CG 4.35Å
448	R	94.6	Very high	95.1	Very high	163 Å²	163	79.2 Å²	79.2	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-61.5	-39.6	176.5	-166.4	-157.1	-49.6	-89.8	2.6	112.2	P444 D445 Y446	P444-R448 WeakPolarHBondContact O-CB 3.42Å; P444-R448 PolarHBondContact O-N 3.09Å; P444-R448 VanDerWaalsContact O-N 3.08Å; D445-R448 WeakPolarHBondContact O-CB 3.48Å; D445-R448 PolarHBondContact O-N 3Å; D445-R448 IonicContact OD1-CZ 2.72Å; D445-R448 VanDerWaalsContact OD1-CZ 3.25Å; D445-R448 IonicContact OD1-NE 2.67Å; D445-R448 PolarHBondContact OD1-NE 2.7Å; D445-R448 IonicContact OD1-NH2 3.37Å; D445-R448 PolarHBondContact OD1-NH2 3.43Å; Y446-R448 VanDerWaalsContact C-N 3.31Å; Y446-R448 PolarHBondContact O-N 2.67Å
449	E	94.8	Very high	95.1	Very high	93 Å²	93	77.1 Å²	77.1	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-69.9	-43.8	174.2	-163.4	-145.6	117.4	0	0	111.3	D445 Y446 V447 R451 R452 R453	D445-E449 PolarHBondContact O-N 3.3Å; Y446-E449 PolarHBondContact O-N 3Å; V447-E449 VanDerWaalsContact C-N 3.33Å; V447-E449 PolarHBondContact O-N 2.8Å; E449-R451 VanDerWaalsContact C-N 3.31Å; E449-R451 PolarHBondContact O-N 2.96Å; E449-R452 WeakPolarHBondContact O-CA 3.36Å; E449-R452 VanDerWaalsContact O-CB 3.3Å; E449-R452 WeakPolarHBondContact O-CB 3.2Å; E449-R452 PolarHBondContact O-N 2.88Å; E449-R453 IonicContact OE1-CZ 2.67Å; E449-R453 IonicContact OE1-NE 3.83Å; E449-R453 PolarHBondContact OE1-NE 3.04Å; E449-R453 IonicContact OE1-NH2 2.93Å; E449-R453 PolarHBondContact OE1-NH2 3.46Å
450	L	94	Very high	95	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-40	-178	-154.1	70.3	0	0	0	112.2	E399 Y446 V447 R452 R453 Y454 V459 I462	E399-L450 HydrophobicContact CB-CD1 4.04Å; E399-L450 HydrophobicContact CB-CD2 4.48Å; E399-L450 HydrophobicContact CG-CD1 4.08Å; Y446-L450 HydrophobicContact CE1-CD2 4.12Å; Y446-L450 HydrophobicContact CE2-CD1 4.34Å; Y446-L450 WeakPolarHBondContact O-CB 3.34Å; Y446-L450 PolarHBondContact O-N 3.28Å; V447-L450 PolarHBondContact O-N 2.84Å; L450-R452 PolarHBondContact O-N 3.44Å; L450-R452 VanDerWaalsContact O-N 3.09Å; L450-R453 PolarHBondContact O-N 2.67Å; L450-Y454 HydrophobicContact CD1-CD2 3.44Å; L450-Y454 VanDerWaalsContact CD1-CD2 3.44Å; L450-Y454 HydrophobicContact CD1-CE2 3.49Å; L450-Y454 VanDerWaalsContact CD1-CE2 3.49Å; L450-Y454 HydrophobicContact CG-CD2 3.77Å; L450-Y454 HydrophobicContact CG-CE2 4.33Å; L450-Y454 PolarHBondContact O-N 3.04Å; L450-V459 HydrophobicContact CB-CG2 4.25Å; L450-V459 HydrophobicContact CD2-CG1 4.48Å; L450-V459 HydrophobicContact CD2-CG2 4.13Å; L450-V459 HydrophobicContact CG-CG2 4.07Å; L450-I462 HydrophobicContact CD2-CD1 3.65Å; L450-I462 HydrophobicContact CD2-CG2 4.47Å
451	R	94.9	Very high	95.1	Very high	110 Å²	110	73.4 Å²	73.4	42%	0.415	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.5	173.6	-69.6	-175.1	-179.8	-83.3	1.8	114.5	V447 E449 V459 D460 E463	V447-R451 WeakPolarHBondContact O-CG 3.22Å; V447-R451 PolarHBondContact O-N 3.48Å; E449-R451 VanDerWaalsContact C-N 3.31Å; E449-R451 PolarHBondContact O-N 2.96Å; R451-V459 HydrophobicContact CG-CB 4.06Å; R451-V459 HydrophobicContact CG-CG1 3.74Å; R451-V459 HydrophobicContact CG-CG2 3.87Å; R451-D460 IonicContact CZ-OD1 2.72Å; R451-D460 VanDerWaalsContact CZ-OD1 3.3Å; R451-D460 IonicContact NH1-OD1 3.09Å; R451-D460 PolarHBondContact NH1-OD1 3.36Å; R451-D460 IonicContact NH2-OD1 3.69Å; R451-D460 PolarHBondContact NH2-OD1 3.49Å; R451-E463 IonicContact CZ-OE2 3.24Å; R451-E463 IonicContact NE-OE2 3.84Å; R451-E463 IonicContact NH2-OE2 2.94Å; R451-E463 PolarHBondContact NH2-OE2 3.22Å
452	R	95.3	Very high	95	Very high	220 Å²	220	66.5 Å²	66.5	83%	0.83	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-16.1	172.9	-55.7	176.5	69.2	165	1.7	113.1	E449 L450	E449-R452 WeakPolarHBondContact O-CA 3.36Å; E449-R452 VanDerWaalsContact O-CB 3.3Å; E449-R452 WeakPolarHBondContact O-CB 3.2Å; E449-R452 PolarHBondContact O-N 2.88Å; L450-R452 PolarHBondContact O-N 3.44Å; L450-R452 VanDerWaalsContact O-N 3.09Å
453	R	95.4	Very high	94.6	Very high	133 Å²	133	63.6 Å²	63.6	50%	0.502	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-32.8	-174.7	-65.3	-163.1	-76.3	116.2	-6	114	E449 L450	E449-R453 IonicContact OE1-CZ 2.67Å; E449-R453 IonicContact OE1-NE 3.83Å; E449-R453 PolarHBondContact OE1-NE 3.04Å; E449-R453 IonicContact OE1-NH2 2.93Å; E449-R453 PolarHBondContact OE1-NH2 3.46Å; L450-R453 PolarHBondContact O-N 2.67Å
454	Y	96.8	Very high	94.2	Very high	38 Å²	38	66.9 Å²	66.9	15%	0.149	32%	0.32	C	S	.	.	S	Bend	trans	-117.6	165	-176	-61.1	-90.7	0	0	0	112.4	E399 D400 E403 L450 T458	E399-Y454 HydrophobicContact CB-CD1 4.26Å; E399-Y454 HydrophobicContact CB-CD2 4.28Å; E399-Y454 HydrophobicContact CB-CE1 3.98Å; E399-Y454 HydrophobicContact CB-CE2 4Å; E399-Y454 HydrophobicContact CB-CG 4.41Å; E399-Y454 HydrophobicContact CG-CE1 4.08Å; E399-Y454 HydrophobicContact CG-CE2 3.81Å; D400-Y454 VanDerWaalsContact OD1-CE1 3.3Å; D400-Y454 WeakPolarHBondContact OD1-CE1 3.41Å; D400-Y454 PolarHBondContact OD1-OH 3.11Å; E403-Y454 HydrophobicContact CB-CD1 3.95Å; E403-Y454 HydrophobicContact CG-CD1 4.05Å; L450-Y454 HydrophobicContact CD1-CD2 3.44Å; L450-Y454 VanDerWaalsContact CD1-CD2 3.44Å; L450-Y454 HydrophobicContact CD1-CE2 3.49Å; L450-Y454 VanDerWaalsContact CD1-CE2 3.49Å; L450-Y454 HydrophobicContact CG-CD2 3.77Å; L450-Y454 HydrophobicContact CG-CE2 4.33Å; L450-Y454 PolarHBondContact O-N 3.04Å; Y454-T458 HydrophobicContact CD1-CG2 4.38Å; Y454-T458 HydrophobicContact CG-CG2 4.4Å
455	S	97.1	Very high	93.8	Very high	30 Å²	30	65 Å²	65	21%	0.21	31%	0.306	C	S	.	.			trans	-63.4	149.3	176.2	68.2	0	0	0	0	111.7	E403 R406 S457 T458 V459	E403-S455 VanDerWaalsContact OE2-CB 3.3Å; E403-S455 WeakPolarHBondContact OE2-CB 3.5Å; E403-S455 PolarHBondContact OE2-N 3.4Å; E403-S455 PolarHBondContact OE2-OG 2.98Å; R406-S455 PolarHBondContact NH1-OG 3.23Å; R406-S455 VanDerWaalsContact NH1-OG 3.15Å; S455-S457 PolarHBondContact O-N 3.42Å; S455-S457 PolarHBondContact OG-OG 3.18Å; S455-S457 VanDerWaalsContact OG-OG 3.04Å; S455-T458 WeakPolarHBondContact O-CB 3.32Å; S455-T458 PolarHBondContact O-N 3.03Å; S455-T458 PolarHBondContact OG-N 2.98Å; S455-T458 PolarHBondContact OG-OG1 3.14Å; S455-V459 PolarHBondContact O-N 3.4Å
456	A	94.6	Very high	93	Very high	61 Å²	61	64.5 Å²	64.5	50%	0.504	30%	0.303	S	S	.	.	H	α-helix	trans	-55.6	-41.3	177.8	0	0	0	0	0	112	T458 V459 D460	A456-T458 VanDerWaalsContact C-N 3.32Å; A456-T458 PolarHBondContact O-N 3.33Å; A456-V459 PolarHBondContact O-N 3.18Å; A456-D460 WeakPolarHBondContact O-CB 3.17Å; A456-D460 PolarHBondContact O-N 2.74Å
457	S	94.6	Very high	92.4	Very high	71 Å²	71	65.5 Å²	65.5	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-40.2	174.5	40	0	0	0	0	113.6	S455 V461	S455-S457 PolarHBondContact O-N 3.42Å; S455-S457 PolarHBondContact OG-OG 3.18Å; S455-S457 VanDerWaalsContact OG-OG 3.04Å; S457-V461 WeakPolarHBondContact O-CG2 3.3Å; S457-V461 PolarHBondContact O-N 3.2Å; S457-V461 VanDerWaalsContact O-N 3.07Å
458	T	95.1	Very high	91.3	Very high	3 Å²	3	69.6 Å²	69.6	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-46.8	177.5	-69.2	0	0	0	0	110.8	E399 I402 E403 Y454 S455 A456 D460 V461 I462	E399-T458 WeakPolarHBondContact O-CG2 3.44Å; I402-T458 HydrophobicContact CB-CG2 4.11Å; I402-T458 HydrophobicContact CG2-CG2 3.91Å; E403-T458 WeakPolarHBondContact CA-OG1 3.41Å; E403-T458 HydrophobicContact CB-CG2 4.21Å; E403-T458 VanDerWaalsContact OE2-CB 3.24Å; E403-T458 WeakPolarHBondContact OE2-CB 3.5Å; E403-T458 PolarHBondContact OE2-OG1 3Å; Y454-T458 HydrophobicContact CD1-CG2 4.38Å; Y454-T458 HydrophobicContact CG-CG2 4.4Å; S455-T458 WeakPolarHBondContact O-CB 3.32Å; S455-T458 PolarHBondContact O-N 3.03Å; S455-T458 PolarHBondContact OG-N 2.98Å; S455-T458 PolarHBondContact OG-OG1 3.14Å; A456-T458 VanDerWaalsContact C-N 3.32Å; A456-T458 PolarHBondContact O-N 3.33Å; T458-D460 PolarHBondContact O-N 2.89Å; T458-V461 PolarHBondContact O-N 3.37Å; T458-I462 HydrophobicContact CG2-CD1 3.8Å; T458-I462 WeakPolarHBondContact O-CD1 3.49Å; T458-I462 VanDerWaalsContact O-CG1 3.26Å; T458-I462 WeakPolarHBondContact O-CG1 3.26Å; T458-I462 PolarHBondContact O-N 3.24Å
459	V	95	Very high	90.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-43.6	178	-176.1	0	0	0	0	111.3	V447 L450 R451 S455 A456 V461 I462 E463	V447-V459 HydrophobicContact CG1-CG1 3.87Å; L450-V459 HydrophobicContact CB-CG2 4.25Å; L450-V459 HydrophobicContact CD2-CG1 4.48Å; L450-V459 HydrophobicContact CD2-CG2 4.13Å; L450-V459 HydrophobicContact CG-CG2 4.07Å; R451-V459 HydrophobicContact CG-CB 4.06Å; R451-V459 HydrophobicContact CG-CG1 3.74Å; R451-V459 HydrophobicContact CG-CG2 3.87Å; S455-V459 PolarHBondContact O-N 3.4Å; A456-V459 PolarHBondContact O-N 3.18Å; V459-V461 VanDerWaalsContact C-N 3.28Å; V459-V461 PolarHBondContact O-N 3.09Å; V459-I462 WeakPolarHBondContact O-CB 3.42Å; V459-I462 PolarHBondContact O-N 2.91Å; V459-I462 VanDerWaalsContact O-N 3.1Å; V459-E463 HydrophobicContact CG1-CG 4.45Å; V459-E463 PolarHBondContact O-N 2.78Å
460	D	92.7	Very high	90.2	Very high	65 Å²	65	64.7 Å²	64.7	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-35	-179.9	-62.8	-13.5	0	0	0	111.6	R451 A456 T458 M464	R451-D460 IonicContact CZ-OD1 2.72Å; R451-D460 VanDerWaalsContact CZ-OD1 3.3Å; R451-D460 IonicContact NH1-OD1 3.09Å; R451-D460 PolarHBondContact NH1-OD1 3.36Å; R451-D460 IonicContact NH2-OD1 3.69Å; R451-D460 PolarHBondContact NH2-OD1 3.49Å; A456-D460 WeakPolarHBondContact O-CB 3.17Å; A456-D460 PolarHBondContact O-N 2.74Å; T458-D460 PolarHBondContact O-N 2.89Å; D460-M464 WeakPolarHBondContact O-CG 3.2Å; D460-M464 PolarHBondContact O-N 3.43Å
461	V	93.6	Very high	90.1	Very high	18 Å²	18	66.7 Å²	66.7	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-69.6	-40.7	172.5	171.9	0	0	0	0	111.6	I402 Y407 P409 S457 T458 V459 E463 M464 M465	I402-V461 HydrophobicContact CD1-CG1 4.02Å; I402-V461 HydrophobicContact CG1-CG1 4.49Å; I402-V461 HydrophobicContact CG2-CB 4.15Å; I402-V461 HydrophobicContact CG2-CG1 4.09Å; Y407-V461 HydrophobicContact CD1-CG1 4.21Å; P409-V461 HydrophobicContact CG-CG1 4.06Å; S457-V461 WeakPolarHBondContact O-CG2 3.3Å; S457-V461 PolarHBondContact O-N 3.2Å; S457-V461 VanDerWaalsContact O-N 3.07Å; T458-V461 PolarHBondContact O-N 3.37Å; V459-V461 VanDerWaalsContact C-N 3.28Å; V459-V461 PolarHBondContact O-N 3.09Å; V461-E463 VanDerWaalsContact C-N 3.33Å; V461-E463 PolarHBondContact O-N 3.02Å; V461-M464 WeakPolarHBondContact O-CB 3.45Å; V461-M464 PolarHBondContact O-N 3.07Å; V461-M465 HydrophobicContact CG1-CE 3.75Å; V461-M465 PolarHBondContact O-N 3.26Å
462	I	92.3	Very high	89.8	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-39.5	176.9	-68.2	162.9	0	0	0	111.4	E399 I402 W443 L450 T458 V459 M464 M465	E399-I462 HydrophobicContact CB-CD1 3.71Å; I402-I462 HydrophobicContact CD1-CD1 4.39Å; I402-I462 HydrophobicContact CD1-CG1 3.56Å; W443-I462 HydrophobicContact CH2-CG2 3.99Å; L450-I462 HydrophobicContact CD2-CD1 3.65Å; L450-I462 HydrophobicContact CD2-CG2 4.47Å; T458-I462 HydrophobicContact CG2-CD1 3.8Å; T458-I462 WeakPolarHBondContact O-CD1 3.49Å; T458-I462 VanDerWaalsContact O-CG1 3.26Å; T458-I462 WeakPolarHBondContact O-CG1 3.26Å; T458-I462 PolarHBondContact O-N 3.24Å; V459-I462 WeakPolarHBondContact O-CB 3.42Å; V459-I462 PolarHBondContact O-N 2.91Å; V459-I462 VanDerWaalsContact O-N 3.1Å; I462-M464 PolarHBondContact O-N 3.32Å; I462-M465 PolarHBondContact O-N 3.19Å
463	E	89.9	Confident	89.7	Confident	69 Å²	69	54.9 Å²	54.9	32%	0.322	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.7	174.9	-65.8	-166.7	80.7	0	0	113.6	R415 W443 V447 R451 V459 V461	R415-E463 PolarHBondContact NH1-O 3.02Å; R415-E463 PolarHBondContact NH2-O 3.03Å; W443-E463 HydrophobicContact CZ2-CG 4.07Å; V447-E463 HydrophobicContact CG1-CG 4.46Å; V447-E463 HydrophobicContact CG2-CG 4.35Å; R451-E463 IonicContact CZ-OE2 3.24Å; R451-E463 IonicContact NE-OE2 3.84Å; R451-E463 IonicContact NH2-OE2 2.94Å; R451-E463 PolarHBondContact NH2-OE2 3.22Å; V459-E463 HydrophobicContact CG1-CG 4.45Å; V459-E463 PolarHBondContact O-N 2.78Å; V461-E463 VanDerWaalsContact C-N 3.33Å; V461-E463 PolarHBondContact O-N 3.02Å
464	M	87.1	Confident	89.7	Confident	125 Å²	125	48.7 Å²	48.7	62%	0.616	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-22.8	175.4	-68.3	-179.5	-156	0	0	114	R415 D460 V461 I462	R415-M464 VanDerWaalsContact NH2-C 3.29Å; R415-M464 PolarHBondContact NH2-O 3.24Å; D460-M464 WeakPolarHBondContact O-CG 3.2Å; D460-M464 PolarHBondContact O-N 3.43Å; V461-M464 WeakPolarHBondContact O-CB 3.45Å; V461-M464 PolarHBondContact O-N 3.07Å; I462-M464 PolarHBondContact O-N 3.32Å
465	M	86.3	Confident	89.8	Confident	34 Å²	34	46.9 Å²	46.9	17%	0.167	26%	0.256	C	S	.	.			trans	-56.4	157.7	-177.2	-73.1	-73.1	167	0	0	113.8	L398 I402 Y407 R415 V461 I462 L474	L398-M465 HydrophobicContact CD2-CG 4.34Å; I402-M465 HydrophobicContact CD1-CE 4.13Å; Y407-M465 HydrophobicContact CD1-CE 3.87Å; Y407-M465 HydrophobicContact CE1-CE 3.68Å; R415-M465 PolarHBondContact NH2-O 2.87Å; V461-M465 HydrophobicContact CG1-CE 3.75Å; V461-M465 PolarHBondContact O-N 3.26Å; I462-M465 PolarHBondContact O-N 3.19Å; M465-L474 HydrophobicContact CE-CD2 4.21Å
466	D	79.4	Confident	89.8	Confident	84 Å²	84	45.7 Å²	45.7	45%	0.449	25%	0.248	S	C	.	.			trans	-112.2	105.5	-178.4	-176.1	5	0	0	0	110.3	D468 K469	D466-D468 PolarHBondContact O-N 3.28Å; D466-D468 PolarHBondContact OD1-N 2.93Å; D466-D468 VanDerWaalsContact OD1-N 3.14Å; D466-K469 PolarHBondContact O-N 3.13Å
467	D	81.7	Confident	89.9	Confident	42 Å²	42	43.9 Å²	43.9	23%	0.225	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.5	179.6	-91.2	25	0	0	0	113.3	Y439 K571 W590 R619	Y439-D467 WeakPolarHBondContact CE1-OD2 3.38Å; Y439-D467 VanDerWaalsContact CZ-OD2 3.27Å; Y439-D467 PolarHBondContact OH-OD1 3.07Å; Y439-D467 PolarHBondContact OH-OD2 3.41Å; D467-K571 VanDerWaalsContact O-CE 3.23Å; D467-K571 WeakPolarHBondContact O-CE 3.45Å; D467-K571 PolarHBondContact O-NZ 3.26Å; D467-W590 HydrophobicContact CB-CZ2 4.01Å; D467-W590 VanDerWaalsContact O-CZ2 3.31Å; D467-W590 WeakPolarHBondContact O-CZ2 3.38Å; D467-R619 IonicContact OD2-CZ 3.04Å; D467-R619 IonicContact OD2-NE 2.63Å; D467-R619 IonicContact OD2-NH2 3.61Å; D467-R619 PolarHBondContact OD2-NH2 3.43Å
468	D	72.6	Confident	90.1	Very high	98 Å²	98	40.6 Å²	40.6	52%	0.524	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.5	180	-72.1	-26.6	0	0	0	112.6	D466	D466-D468 PolarHBondContact O-N 3.28Å; D466-D468 PolarHBondContact OD1-N 2.93Å; D466-D468 VanDerWaalsContact OD1-N 3.14Å
469	K	77.9	Confident	90.2	Very high	134 Å²	134	40.4 Å²	40.4	58%	0.583	21%	0.209	S	C	*	.	S	Bend	trans	-134.3	146.8	-170.8	-68.1	-175.7	179.3	-176	0	113.6	D466 D471	D466-K469 PolarHBondContact O-N 3.13Å; K469-D471 PolarHBondContact O-N 3.11Å
470	V	87.3	Confident	90.4	Very high	18 Å²	18	45 Å²	45	11%	0.109	23%	0.226	C	C	.	.			trans	-78.8	119.2	167.7	-172.8	0	0	0	0	108.8	L472 I475 L495 P496 K571 L614	V470-L472 HydrophobicContact CB-CD2 4.42Å; V470-L472 HydrophobicContact CG1-CD2 4.17Å; V470-L472 PolarHBondContact O-N 3.49Å; V470-L472 VanDerWaalsContact O-N 3.08Å; V470-I475 HydrophobicContact CG1-CD1 3.6Å; V470-L495 HydrophobicContact CG1-CD2 3.98Å; V470-P496 HydrophobicContact CG2-CG 4.09Å; V470-K571 HydrophobicContact CG2-CB 3.99Å; V470-K571 HydrophobicContact CG2-CG 3.83Å; V470-L614 HydrophobicContact CG1-CD2 4.3Å
471	D	91.5	Very high	90.6	Very high	42 Å²	42	44.4 Å²	44.4	23%	0.225	22%	0.219	C	C	.	.			trans	-70.4	101.4	172.5	-175.7	-8.7	0	0	0	110	Y407 K469 N473 L474 I475	Y407-D471 WeakPolarHBondContact CE1-OD2 3.48Å; Y407-D471 PolarHBondContact OH-OD1 3.37Å; Y407-D471 PolarHBondContact OH-OD2 3.1Å; K469-D471 PolarHBondContact O-N 3.11Å; D471-N473 VanDerWaalsContact C-N 3.31Å; D471-N473 PolarHBondContact O-N 2.98Å; D471-N473 WeakPolarHBondContact OD1-CA 3.46Å; D471-N473 WeakPolarHBondContact OD1-CB 3.17Å; D471-N473 PolarHBondContact OD1-N 2.97Å; D471-L474 HydrophobicContact CB-CB 3.87Å; D471-L474 PolarHBondContact O-N 3.34Å; D471-L474 PolarHBondContact OD1-N 2.99Å; D471-I475 PolarHBondContact O-N 3.1Å
472	L	90.1	Very high	90.9	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-71.5	-24.9	178.9	-56	-175.8	0	0	0	112.6	V470 I475 V476 L495 N500 T503 L507	V470-L472 HydrophobicContact CB-CD2 4.42Å; V470-L472 HydrophobicContact CG1-CD2 4.17Å; V470-L472 PolarHBondContact O-N 3.49Å; V470-L472 VanDerWaalsContact O-N 3.08Å; L472-I475 HydrophobicContact CD2-CD1 4.21Å; L472-I475 PolarHBondContact O-N 2.9Å; L472-V476 VanDerWaalsContact O-CG2 3.32Å; L472-V476 WeakPolarHBondContact O-CG2 3.25Å; L472-V476 PolarHBondContact O-N 2.92Å; L472-L495 HydrophobicContact CD2-CD1 4.47Å; L472-L495 HydrophobicContact CD2-CD2 3.98Å; L472-N500 HydrophobicContact CD2-CB 4.28Å; L472-T503 HydrophobicContact CD1-CG2 3.62Å; L472-L507 HydrophobicContact CB-CD1 3.91Å
473	N	92.2	Very high	91.1	Very high	64 Å²	64	44.5 Å²	44.5	34%	0.342	22%	0.22	S	C	.	.	H	α-helix	trans	-73.9	-36.7	177.1	-67.7	-31.6	0	0	0	110.8	Y407 D471 I475 V476 A477	Y407-N473 WeakPolarHBondContact OH-CB 3.45Å; D471-N473 VanDerWaalsContact C-N 3.31Å; D471-N473 PolarHBondContact O-N 2.98Å; D471-N473 WeakPolarHBondContact OD1-CA 3.46Å; D471-N473 WeakPolarHBondContact OD1-CB 3.17Å; D471-N473 PolarHBondContact OD1-N 2.97Å; N473-I475 VanDerWaalsContact C-N 3.32Å; N473-I475 PolarHBondContact O-N 2.78Å; N473-V476 PolarHBondContact O-N 3.35Å; N473-A477 WeakPolarHBondContact O-CB 3.25Å; N473-A477 PolarHBondContact O-N 2.63Å
474	L	96.4	Very high	91.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-44.3	168.2	175.9	61.7	0	0	0	111	L398 I401 I405 Y407 M465 D471 A477 L478 L614	L398-L474 HydrophobicContact CD1-CD2 3.6Å; I401-L474 HydrophobicContact CG2-CD1 4.13Å; I405-L474 HydrophobicContact CD1-CD1 3.9Å; Y407-L474 HydrophobicContact CD1-CB 4.45Å; Y407-L474 HydrophobicContact CD1-CD1 3.74Å; Y407-L474 HydrophobicContact CD2-CD1 4.04Å; Y407-L474 HydrophobicContact CE1-CB 3.97Å; Y407-L474 HydrophobicContact CE1-CD1 4.13Å; Y407-L474 HydrophobicContact CE2-CB 4.28Å; Y407-L474 HydrophobicContact CE2-CD1 4.44Å; Y407-L474 HydrophobicContact CG-CD1 3.67Å; Y407-L474 PolarHBondContact OH-N 3.1Å; M465-L474 HydrophobicContact CE-CD2 4.21Å; D471-L474 HydrophobicContact CB-CB 3.87Å; D471-L474 PolarHBondContact O-N 3.34Å; D471-L474 PolarHBondContact OD1-N 2.99Å; L474-A477 PolarHBondContact O-N 2.84Å; L474-L478 WeakPolarHBondContact O-CB 3.18Å; L474-L478 PolarHBondContact O-N 2.96Å; L474-L614 HydrophobicContact CD2-CD2 4.09Å; L474-L614 HydrophobicContact CD2-CG 4.19Å; L474-L614 HydrophobicContact CG-CD2 4.43Å
475	I	97.8	Very high	91.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-44.3	175.6	-64.5	177.3	0	0	0	111.3	V470 D471 L472 N473 A477 L478 I479 V493 L495 L504 I567 L614	V470-I475 HydrophobicContact CG1-CD1 3.6Å; D471-I475 PolarHBondContact O-N 3.1Å; L472-I475 HydrophobicContact CD2-CD1 4.21Å; L472-I475 PolarHBondContact O-N 2.9Å; N473-I475 VanDerWaalsContact C-N 3.32Å; N473-I475 PolarHBondContact O-N 2.78Å; I475-A477 VanDerWaalsContact C-N 3.34Å; I475-A477 PolarHBondContact O-N 3.22Å; I475-L478 PolarHBondContact O-N 3.18Å; I475-I479 HydrophobicContact CG2-CD1 3.68Å; I475-I479 HydrophobicContact CG2-CG1 4.17Å; I475-I479 WeakPolarHBondContact O-CB 3.14Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.47Å; I475-I479 PolarHBondContact O-N 2.84Å; I475-V493 HydrophobicContact CD1-CG1 4.32Å; I475-V493 HydrophobicContact CG2-CG1 3.95Å; I475-L495 HydrophobicContact CD1-CD2 3.66Å; I475-L504 HydrophobicContact CB-CD1 4.3Å; I475-L504 HydrophobicContact CG2-CD1 3.93Å; I475-L504 HydrophobicContact CG2-CD2 3.59Å; I475-L504 HydrophobicContact CG2-CG 4.45Å; I475-I567 HydrophobicContact CG1-CG2 4.27Å; I475-I567 HydrophobicContact CG2-CD1 4.45Å; I475-I567 HydrophobicContact CG2-CG2 4.37Å; I475-L614 HydrophobicContact CD1-CD2 3.87Å; I475-L614 HydrophobicContact CG1-CD2 3.41Å; I475-L614 VanDerWaalsContact CG1-CD2 3.41Å
476	V	97	Very high	92.3	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42.3	176.6	170.2	0	0	0	0	111.7	L472 N473 R480 L504 L507 L508	L472-V476 VanDerWaalsContact O-CG2 3.32Å; L472-V476 WeakPolarHBondContact O-CG2 3.25Å; L472-V476 PolarHBondContact O-N 2.92Å; N473-V476 PolarHBondContact O-N 3.35Å; V476-R480 WeakPolarHBondContact O-CB 3.38Å; V476-R480 PolarHBondContact O-N 3.22Å; V476-L504 HydrophobicContact CG2-CD1 3.42Å; V476-L504 VanDerWaalsContact CG2-CD1 3.42Å; V476-L507 HydrophobicContact CG2-CB 3.98Å; V476-L507 HydrophobicContact CG2-CD1 4.49Å; V476-L508 HydrophobicContact CG1-CD2 4.33Å; V476-L508 HydrophobicContact CG2-CD2 4.14Å; V476-L508 HydrophobicContact CG2-CG 4.35Å
477	A	97.6	Very high	93	Very high	24 Å²	24	50 Å²	50	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-42.7	176	0	0	0	0	0	111.9	I405 Y407 N473 L474 I475 R480 Y481	I405-A477 HydrophobicContact CD1-CB 3.95Å; Y407-A477 HydrophobicContact CD2-CB 3.98Å; Y407-A477 HydrophobicContact CE2-CB 4.2Å; N473-A477 WeakPolarHBondContact O-CB 3.25Å; N473-A477 PolarHBondContact O-N 2.63Å; L474-A477 PolarHBondContact O-N 2.84Å; I475-A477 VanDerWaalsContact C-N 3.34Å; I475-A477 PolarHBondContact O-N 3.22Å; A477-R480 PolarHBondContact O-N 3.41Å; A477-Y481 PolarHBondContact O-N 3.32Å
478	L	98.4	Very high	93.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-42.6	177.4	178.8	58.4	0	0	0	112.5	I401 I405 L474 I475 R480 Y481 I482 I567 Y612 L614	I401-L478 HydrophobicContact CG2-CD1 4.32Å; I401-L478 HydrophobicContact CG2-CD2 4.15Å; I405-L478 HydrophobicContact CD1-CB 4.21Å; I405-L478 HydrophobicContact CG2-CD1 4.13Å; L474-L478 WeakPolarHBondContact O-CB 3.18Å; L474-L478 PolarHBondContact O-N 2.96Å; I475-L478 PolarHBondContact O-N 3.18Å; L478-R480 VanDerWaalsContact C-N 3.31Å; L478-R480 PolarHBondContact O-N 3.07Å; L478-Y481 WeakPolarHBondContact O-CB 3.45Å; L478-Y481 PolarHBondContact O-N 3.44Å; L478-I482 HydrophobicContact CD1-CD1 4Å; L478-I482 HydrophobicContact CD1-CG1 4.22Å; L478-I482 HydrophobicContact CG-CD1 3.94Å; L478-I482 VanDerWaalsContact O-CG1 3.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.46Å; L478-I482 PolarHBondContact O-N 3.44Å; L478-I567 HydrophobicContact CB-CD1 4.48Å; L478-I567 HydrophobicContact CD2-CD1 3.9Å; L478-I567 HydrophobicContact CD2-CG1 3.94Å; L478-I567 HydrophobicContact CD2-CG2 4Å; L478-I567 HydrophobicContact CG-CD1 3.92Å; L478-I567 HydrophobicContact CG-CG1 4.38Å; L478-Y612 HydrophobicContact CD1-CD1 4.1Å; L478-Y612 HydrophobicContact CD1-CE1 4.2Å; L478-Y612 HydrophobicContact CD1-CG 4.27Å; L478-Y612 HydrophobicContact CD2-CD1 4.38Å; L478-Y612 HydrophobicContact CD2-CD2 4.4Å; L478-Y612 HydrophobicContact CD2-CG 3.93Å; L478-L614 HydrophobicContact CD2-CD1 4.49Å
479	I	98.3	Very high	94.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-45.8	172.9	-70.1	169.6	0	0	0	109.9	I475 Y481 I482 V483 I491 V493 L504 L508 F514 I547 I567	I475-I479 HydrophobicContact CG2-CD1 3.68Å; I475-I479 HydrophobicContact CG2-CG1 4.17Å; I475-I479 WeakPolarHBondContact O-CB 3.14Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.47Å; I475-I479 PolarHBondContact O-N 2.84Å; I479-Y481 PolarHBondContact O-N 3.21Å; I479-I482 PolarHBondContact O-N 3.19Å; I479-V483 HydrophobicContact CG2-CG2 4.35Å; I479-V483 WeakPolarHBondContact O-CB 3.44Å; I479-V483 WeakPolarHBondContact O-CG2 3.41Å; I479-V483 PolarHBondContact O-N 3.16Å; I479-I491 HydrophobicContact CG2-CD1 4.2Å; I479-V493 HydrophobicContact CD1-CG2 4Å; I479-L504 HydrophobicContact CD1-CD2 4.38Å; I479-L508 HydrophobicContact CB-CD2 4.44Å; I479-L508 HydrophobicContact CD1-CD1 3.95Å; I479-L508 HydrophobicContact CD1-CD2 4.12Å; I479-L508 HydrophobicContact CG2-CD2 4.08Å; I479-F514 HydrophobicContact CG2-CE1 3.94Å; I479-F514 HydrophobicContact CG2-CZ 3.83Å; I479-I547 HydrophobicContact CD1-CG2 4.46Å; I479-I547 HydrophobicContact CG2-CD1 3.86Å; I479-I567 HydrophobicContact CD1-CD1 4.43Å; I479-I567 HydrophobicContact CG1-CD1 3.54Å
480	R	97.7	Very high	95.4	Very high	96 Å²	96	43.4 Å²	43.4	36%	0.362	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-44.9	177	-171	-169.1	-61.2	146.6	-0.8	111.7	V476 A477 L478 V483 L484 Q511 M513 F514	V476-R480 WeakPolarHBondContact O-CB 3.38Å; V476-R480 PolarHBondContact O-N 3.22Å; A477-R480 PolarHBondContact O-N 3.41Å; L478-R480 VanDerWaalsContact C-N 3.31Å; L478-R480 PolarHBondContact O-N 3.07Å; R480-V483 PolarHBondContact O-N 3.26Å; R480-L484 HydrophobicContact CG-CD1 3.93Å; R480-L484 WeakPolarHBondContact O-CG 3.31Å; R480-L484 PolarHBondContact O-N 2.82Å; R480-L484 VanDerWaalsContact O-N 3.15Å; R480-Q511 VanDerWaalsContact NH2-CD 3.27Å; R480-Q511 VanDerWaalsContact NH2-NE2 3.12Å; R480-M513 HydrophobicContact CG-CE 4.37Å; R480-M513 HydrophobicContact CG-SD 3.97Å; R480-F514 HydrophobicContact CB-CZ 4.42Å
481	Y	98.3	Very high	96	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.204	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-51.9	175.9	173.8	-90	0	0	0	111.5	K404 I405 A477 L478 I479 V483 L484 E485 E486	K404-Y481 HydrophobicContact CD-CE1 3.88Å; K404-Y481 HydrophobicContact CG-CE1 4.13Å; K404-Y481 HydrophobicContact CG-CE2 4.43Å; K404-Y481 PolarHBondContact NZ-OH 3.18Å; I405-Y481 HydrophobicContact CB-CD2 4.28Å; I405-Y481 HydrophobicContact CB-CG 4.33Å; I405-Y481 HydrophobicContact CG2-CD1 3.86Å; I405-Y481 HydrophobicContact CG2-CD2 3.81Å; I405-Y481 HydrophobicContact CG2-CE1 4.47Å; I405-Y481 HydrophobicContact CG2-CE2 4.42Å; I405-Y481 HydrophobicContact CG2-CG 3.52Å; A477-Y481 PolarHBondContact O-N 3.32Å; L478-Y481 WeakPolarHBondContact O-CB 3.45Å; L478-Y481 PolarHBondContact O-N 3.44Å; I479-Y481 PolarHBondContact O-N 3.21Å; Y481-V483 PolarHBondContact O-N 2.7Å; Y481-L484 PolarHBondContact O-N 3.22Å; Y481-E485 HydrophobicContact CD2-CB 4.29Å; Y481-E485 HydrophobicContact CD2-CG 3.75Å; Y481-E485 HydrophobicContact CE1-CB 4.31Å; Y481-E485 HydrophobicContact CE2-CB 3.87Å; Y481-E485 HydrophobicContact CE2-CG 3.58Å; Y481-E485 HydrophobicContact CG-CG 4.42Å; Y481-E485 WeakPolarHBondContact O-CB 3.43Å; Y481-E485 PolarHBondContact O-N 3.5Å; Y481-E486 HydrophobicContact CE1-CG 4.05Å; Y481-E486 WeakPolarHBondContact CE1-OE1 3.36Å
482	I	98	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-36	179.2	-66.1	161.7	0	0	0	111.5	L478 I479 E486 I491 R545 Y565 I567 Y612	L478-I482 HydrophobicContact CD1-CD1 4Å; L478-I482 HydrophobicContact CD1-CG1 4.22Å; L478-I482 HydrophobicContact CG-CD1 3.94Å; L478-I482 VanDerWaalsContact O-CG1 3.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.46Å; L478-I482 PolarHBondContact O-N 3.44Å; I479-I482 PolarHBondContact O-N 3.19Å; I482-E486 HydrophobicContact CB-CG 4.45Å; I482-E486 HydrophobicContact CG1-CG 4.44Å; I482-E486 HydrophobicContact CG2-CB 4.23Å; I482-E486 HydrophobicContact CG2-CG 4.47Å; I482-E486 WeakPolarHBondContact O-CB 3.41Å; I482-E486 PolarHBondContact O-N 2.93Å; I482-I491 HydrophobicContact CB-CD1 4.12Å; I482-I491 HydrophobicContact CG2-CD1 3.68Å; I482-I491 HydrophobicContact CG2-CG1 4.04Å; I482-R545 PolarHBondContact O-NH1 3.33Å; I482-Y565 HydrophobicContact CG2-CD1 3.71Å; I482-Y565 HydrophobicContact CG2-CD2 3.73Å; I482-Y565 HydrophobicContact CG2-CE1 4.09Å; I482-Y565 HydrophobicContact CG2-CE2 4.12Å; I482-Y565 HydrophobicContact CG2-CG 3.55Å; I482-I567 HydrophobicContact CD1-CD1 3.97Å; I482-I567 HydrophobicContact CD1-CG1 4.21Å; I482-Y612 HydrophobicContact CD1-CD2 3.93Å; I482-Y612 HydrophobicContact CD1-CE2 3.55Å; I482-Y612 HydrophobicContact CG1-CE2 4Å
483	V	97.1	Very high	96.6	Very high	25 Å²	25	39.7 Å²	39.7	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-72.4	-25.8	179.2	173.1	0	0	0	0	113.4	I479 R480 Y481 I491 M513 F514 F519	I479-V483 HydrophobicContact CG2-CG2 4.35Å; I479-V483 WeakPolarHBondContact O-CB 3.44Å; I479-V483 WeakPolarHBondContact O-CG2 3.41Å; I479-V483 PolarHBondContact O-N 3.16Å; R480-V483 PolarHBondContact O-N 3.26Å; Y481-V483 PolarHBondContact O-N 2.7Å; V483-I491 HydrophobicContact CG2-CD1 3.96Å; V483-M513 HydrophobicContact CB-CE 4.03Å; V483-M513 HydrophobicContact CG1-CE 3.37Å; V483-F514 HydrophobicContact CG2-CE1 4.32Å; V483-F519 HydrophobicContact CG1-CE1 3.53Å; V483-F519 HydrophobicContact CG1-CZ 3.57Å; V483-F519 HydrophobicContact CG2-CE1 4.09Å
484	L	96.3	Very high	96.9	Very high	108 Å²	108	36.7 Å²	36.7	57%	0.565	18%	0.183	S	C	*	.	H	α-helix	trans	-97.8	-38	-177	-67	174.1	0	0	0	113.2	R480 Y481 M513	R480-L484 HydrophobicContact CG-CD1 3.93Å; R480-L484 WeakPolarHBondContact O-CG 3.31Å; R480-L484 PolarHBondContact O-N 2.82Å; R480-L484 VanDerWaalsContact O-N 3.15Å; Y481-L484 PolarHBondContact O-N 3.22Å; L484-M513 HydrophobicContact CD2-CE 3.79Å; L484-M513 HydrophobicContact CG-CE 4.02Å
485	E	97	Very high	96.7	Very high	134 Å²	134	36.7 Å²	36.7	63%	0.626	18%	0.184	S	C	*	.	H	α-helix	trans	-111.4	-14.2	-166.1	-53.5	-62.3	145.3	0	0	113.8	Y481	Y481-E485 HydrophobicContact CD2-CB 4.29Å; Y481-E485 HydrophobicContact CD2-CG 3.75Å; Y481-E485 HydrophobicContact CE1-CB 4.31Å; Y481-E485 HydrophobicContact CE2-CB 3.87Å; Y481-E485 HydrophobicContact CE2-CG 3.58Å; Y481-E485 HydrophobicContact CG-CG 4.42Å; Y481-E485 WeakPolarHBondContact O-CB 3.43Å; Y481-E485 PolarHBondContact O-N 3.5Å
486	E	96.3	Very high	96.1	Very high	34 Å²	34	37.2 Å²	37.2	16%	0.159	19%	0.187	C	C	.	.	S	Bend	trans	-117.2	150.6	-174.2	-52.8	-80.3	174.9	0	0	111.9	K404 Y481 I482 R545 Y565	K404-E486 IonicContact NZ-OE1 3.67Å; K404-E486 PolarHBondContact NZ-OE1 3.45Å; Y481-E486 HydrophobicContact CE1-CG 4.05Å; Y481-E486 WeakPolarHBondContact CE1-OE1 3.36Å; I482-E486 HydrophobicContact CB-CG 4.45Å; I482-E486 HydrophobicContact CG1-CG 4.44Å; I482-E486 HydrophobicContact CG2-CB 4.23Å; I482-E486 HydrophobicContact CG2-CG 4.47Å; I482-E486 WeakPolarHBondContact O-CB 3.41Å; I482-E486 PolarHBondContact O-N 2.93Å; E486-R545 PolarHBondContact O-NH1 3.14Å; E486-R545 PolarHBondContact O-NH2 3.27Å; E486-Y565 HydrophobicContact CB-CE1 3.72Å; E486-Y565 HydrophobicContact CG-CE1 4.18Å
487	E	94.5	Very high	95.2	Very high	152 Å²	152	37.1 Å²	37.1	71%	0.71	19%	0.187	S	C	*	.			trans	-57.4	174.4	-176.9	-61.6	-173.9	176.1	0	0	114.8	R545 Y565	E487-R545 VanDerWaalsContact O-CZ 3.31Å; E487-R545 PolarHBondContact O-NH1 2.99Å; E487-R545 PolarHBondContact O-NH2 2.64Å; E487-Y565 PolarHBondContact N-OH 3.46Å; E487-Y565 WeakPolarHBondContact O-CE2 3.49Å; E487-Y565 PolarHBondContact O-OH 3.37Å; E487-Y565 VanDerWaalsContact O-OH 3.07Å
488	D	93.1	Very high	94	Very high	114 Å²	114	38.9 Å²	38.9	61%	0.61	19%	0.188	S	C	*	.	S	Bend	trans	-71.3	132.6	-177.9	-90.2	-15.6	0	0	0	113.7	R545 Q607	D488-R545 IonicContact OD1-CZ 3.67Å; D488-R545 IonicContact OD1-NE 2.7Å; D488-R545 IonicContact OD1-NH2 2.72Å; D488-R545 PolarHBondContact OD1-NH2 2.82Å; D488-Q607 PolarHBondContact O-NE2 3.18Å
489	G	93.4	Very high	92.6	Very high	17 Å²	17	44 Å²	44	18%	0.175	22%	0.216	C	C	.	.			trans	173.7	155.8	178.3	0	0	0	0	0	111.7	R545	G489-R545 WeakPolarHBondContact O-CD 3.18Å; G489-R545 WeakPolarHBondContact O-CG 3.28Å
490	A	95.9	Very high	91.7	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145.2	174.2	0	0	0	0	0	110.9	K546 D562 V563 V564 Y565	A490-K546 WeakPolarHBondContact CA-O 3.39Å; A490-K546 HydrophobicContact CB-CB 3.95Å; A490-D562 WeakPolarHBondContact CB-O 3.29Å; A490-D562 PolarHBondContact N-O 3.19Å; A490-V563 HydrophobicContact CB-CG2 4.39Å; A490-V564 PolarHBondContact O-N 3.19Å; A490-V564 VanDerWaalsContact O-N 3.09Å; A490-Y565 PolarHBondContact O-N 3.29Å
491	I	98.1	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.1	175.8	-52.1	177.7	0	0	0	108.4	I479 I482 V483 V493 K546 I547 V548 Y565 I567	I479-I491 HydrophobicContact CG2-CD1 4.2Å; I482-I491 HydrophobicContact CB-CD1 4.12Å; I482-I491 HydrophobicContact CG2-CD1 3.68Å; I482-I491 HydrophobicContact CG2-CG1 4.04Å; V483-I491 HydrophobicContact CG2-CD1 3.96Å; I491-V493 HydrophobicContact CG2-CG2 4.19Å; I491-K546 PolarHBondContact N-O 2.76Å; I491-I547 HydrophobicContact CB-CG1 4.46Å; I491-I547 HydrophobicContact CB-CG2 4.44Å; I491-I547 HydrophobicContact CD1-CG1 4.35Å; I491-I547 CarbonylContact O-C 3.56Å; I491-I547 WeakPolarHBondContact O-CA 3.33Å; I491-V548 PolarHBondContact O-N 3.47Å; I491-Y565 CarbonylContact C-O 3.59Å; I491-Y565 WeakPolarHBondContact CA-O 3.22Å; I491-Y565 HydrophobicContact CG1-CD2 4.38Å; I491-I567 HydrophobicContact CG2-CD1 4.01Å; I491-I567 HydrophobicContact CG2-CG1 4.31Å
492	L	97.5	Very high	89.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118	173.9	176.2	60.9	0	0	0	110	F494 V548 A550 A554 I560 V563 Y565 V566 I567 R602	L492-F494 HydrophobicContact CD2-CE2 3.66Å; L492-F494 HydrophobicContact CD2-CZ 3.74Å; L492-F494 HydrophobicContact CG-CD2 4.39Å; L492-F494 HydrophobicContact CG-CE2 3.86Å; L492-F494 HydrophobicContact CG-CZ 4.22Å; L492-V548 HydrophobicContact CD1-CB 3.91Å; L492-V548 HydrophobicContact CD1-CG1 3.92Å; L492-A550 HydrophobicContact CD1-CB 3.88Å; L492-A554 HydrophobicContact CD1-CB 3.99Å; L492-A554 HydrophobicContact CD2-CB 4.12Å; L492-I560 HydrophobicContact CD1-CD1 4.16Å; L492-V563 HydrophobicContact CB-CG1 3.73Å; L492-V563 HydrophobicContact CB-CG2 4.04Å; L492-V563 HydrophobicContact CD2-CG1 4.42Å; L492-V563 HydrophobicContact CD2-CG2 4.42Å; L492-Y565 PolarHBondContact N-O 3.08Å; L492-V566 HydrophobicContact CB-CG2 4.41Å; L492-V566 CarbonylContact O-C 3.34Å; L492-V566 WeakPolarHBondContact O-CA 3.34Å; L492-I567 PolarHBondContact O-N 2.66Å; L492-R602 HydrophobicContact CD2-CB 4.03Å; L492-R602 HydrophobicContact CD2-CG 4.28Å
493	V	98.1	Very high	88.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.1	-179	-169.4	0	0	0	0	109.5	I475 I479 I491 L495 L504 V548 I549 A550 I567	I475-V493 HydrophobicContact CD1-CG1 4.32Å; I475-V493 HydrophobicContact CG2-CG1 3.95Å; I479-V493 HydrophobicContact CD1-CG2 4Å; I491-V493 HydrophobicContact CG2-CG2 4.19Å; V493-L495 HydrophobicContact CG1-CD2 4.43Å; V493-L495 HydrophobicContact CG1-CG 4.15Å; V493-L504 HydrophobicContact CG1-CD2 3.93Å; V493-V548 PolarHBondContact N-O 3.48Å; V493-I549 HydrophobicContact CB-CG2 4.48Å; V493-A550 PolarHBondContact O-N 2.79Å; V493-I567 CarbonylContact C-O 3.54Å; V493-I567 WeakPolarHBondContact CA-O 3.45Å; V493-I567 HydrophobicContact CG1-CB 4.22Å; V493-I567 HydrophobicContact CG1-CG2 4.3Å; V493-I567 HydrophobicContact CG2-CB 4.35Å; V493-I567 HydrophobicContact CG2-CD1 4.3Å
494	F	97.5	Very high	88.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.3	174	-73.7	-85.2	0	0	0	111.5	L492 A550 T551 A554 E555 V566 I567 G569 R599 R602	L492-F494 HydrophobicContact CD2-CE2 3.66Å; L492-F494 HydrophobicContact CD2-CZ 3.74Å; L492-F494 HydrophobicContact CG-CD2 4.39Å; L492-F494 HydrophobicContact CG-CE2 3.86Å; L492-F494 HydrophobicContact CG-CZ 4.22Å; F494-A550 CarbonylContact C-O 3.58Å; F494-A550 WeakPolarHBondContact CA-O 3.32Å; F494-T551 WeakPolarHBondContact CD1-O 3.43Å; F494-A554 HydrophobicContact CE1-CB 3.78Å; F494-A554 HydrophobicContact CZ-CB 3.95Å; F494-E555 HydrophobicContact CE1-CB 3.97Å; F494-E555 HydrophobicContact CZ-CB 4.43Å; F494-V566 HydrophobicContact CD2-CG1 3.89Å; F494-V566 HydrophobicContact CE2-CG1 3.88Å; F494-I567 PolarHBondContact N-O 2.73Å; F494-G569 WeakPolarHBondContact O-CA 3.44Å; F494-G569 PolarHBondContact O-N 3.44Å; F494-G569 VanDerWaalsContact O-N 3.07Å; F494-R599 HydrophobicContact CD1-CG 4.25Å; F494-R599 HydrophobicContact CD2-CB 4.15Å; F494-R599 HydrophobicContact CD2-CG 3.78Å; F494-R599 HydrophobicContact CE1-CG 4.17Å; F494-R599 HydrophobicContact CE2-CB 3.94Å; F494-R599 HydrophobicContact CE2-CG 3.7Å; F494-R599 HydrophobicContact CG-CG 4.06Å; F494-R599 HydrophobicContact CZ-CB 4.49Å; F494-R599 HydrophobicContact CZ-CG 3.91Å; F494-R602 HydrophobicContact CZ-CG 4.35Å
495	L	93.7	Very high	87.5	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.2	C	C	.	.			trans	-130.1	156.9	178.9	-67.2	177.7	0	0	0	112.2	V470 L472 I475 V493 G497 N500 I501 L504 I549 A550 T551	V470-L495 HydrophobicContact CG1-CD2 3.98Å; L472-L495 HydrophobicContact CD2-CD1 4.47Å; L472-L495 HydrophobicContact CD2-CD2 3.98Å; I475-L495 HydrophobicContact CD1-CD2 3.66Å; V493-L495 HydrophobicContact CG1-CD2 4.43Å; V493-L495 HydrophobicContact CG1-CG 4.15Å; L495-G497 VanDerWaalsContact C-N 3.32Å; L495-G497 PolarHBondContact O-N 3.38Å; L495-N500 HydrophobicContact CB-CB 4.08Å; L495-N500 HydrophobicContact CD1-CB 3.95Å; L495-N500 HydrophobicContact CD2-CB 4.36Å; L495-N500 HydrophobicContact CG-CB 4.37Å; L495-I501 HydrophobicContact CB-CG1 4.02Å; L495-I501 HydrophobicContact CD1-CG1 4.09Å; L495-L504 HydrophobicContact CD1-CB 4.12Å; L495-L504 HydrophobicContact CD1-CD2 3.85Å; L495-I549 HydrophobicContact CD1-CG2 3.6Å; L495-I549 HydrophobicContact CG-CG2 4.47Å; L495-A550 PolarHBondContact N-O 3.36Å; L495-T551 WeakPolarHBondContact O-CA 3.28Å
496	P	84.9	Confident	86.5	Confident	11 Å²	11	37 Å²	37	7%	0.071	20%	0.196	C	C	.	.	S	Bend	trans	-64.1	-29.2	-174.1	-26.9	37.5	0	0	0	115.4	V470 K571 K573 A588	V470-P496 HydrophobicContact CG2-CG 4.09Å; P496-K571 HydrophobicContact CG-CB 3.52Å; P496-K573 HydrophobicContact CB-CG 4.09Å; P496-K573 VanDerWaalsContact O-CG 3.29Å; P496-K573 WeakPolarHBondContact O-CG 3.37Å; P496-A588 HydrophobicContact CB-CB 4.2Å; P496-A588 HydrophobicContact CG-CB 4.43Å
497	G	78.3	Confident	85.9	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	176.1	-178.9	-176.7	0	0	0	0	0	113.8	L495 D499 N500 I501	L495-G497 VanDerWaalsContact C-N 3.32Å; L495-G497 PolarHBondContact O-N 3.38Å; G497-D499 VanDerWaalsContact C-N 3.28Å; G497-D499 PolarHBondContact O-N 2.95Å; G497-D499 VanDerWaalsContact O-N 3.11Å; G497-N500 PolarHBondContact O-N 3.4Å; G497-I501 WeakPolarHBondContact O-CG1 3.38Å; G497-I501 PolarHBondContact O-N 3.1Å
498	W	72	Confident	85.6	Confident	61 Å²	61	30.6 Å²	30.6	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-47.9	-42.3	-172	-175.3	-92.2	0	0	0	115.5	N500 I501 S502 H525 M528	W498-N500 PolarHBondContact O-N 3.37Å; W498-I501 PolarHBondContact O-N 3.44Å; W498-I501 VanDerWaalsContact O-N 3.13Å; W498-S502 PolarHBondContact O-N 2.87Å; W498-S502 PolarHBondContact O-OG 2.92Å; W498-H525 HydrophobicContact CE3-CB 4.01Å; W498-H525 HydrophobicContact CZ3-CB 4.35Å; W498-H525 PolarHBondContact N-CD2 3.32Å; W498-H525 PolarHBondContact N-NE2 3.1Å; W498-M528 HydrophobicContact CZ3-CG 3.92Å; W498-M528 HydrophobicContact CZ3-SD 3.88Å
499	D	68	Low	85.2	Confident	109 Å²	109	28.1 Å²	28.1	58%	0.583	15%	0.153	S	C	*	.	H	α-helix	trans	-55.9	-49.9	-177.5	-175.3	72.1	0	0	0	112.5	G497 S502 T503	G497-D499 VanDerWaalsContact C-N 3.28Å; G497-D499 PolarHBondContact O-N 2.95Å; G497-D499 VanDerWaalsContact O-N 3.11Å; D499-S502 PolarHBondContact O-OG 3.36Å; D499-T503 WeakPolarHBondContact O-CB 3.34Å; D499-T503 PolarHBondContact O-N 3.38Å; D499-T503 PolarHBondContact O-OG1 3.31Å
500	N	79.4	Confident	84.7	Confident	32 Å²	32	30.8 Å²	30.8	17%	0.171	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-38	175.9	-56	106.8	0	0	0	111.6	L472 L495 G497 W498 T503 L504	L472-N500 HydrophobicContact CD2-CB 4.28Å; L495-N500 HydrophobicContact CB-CB 4.08Å; L495-N500 HydrophobicContact CD1-CB 3.95Å; L495-N500 HydrophobicContact CD2-CB 4.36Å; L495-N500 HydrophobicContact CG-CB 4.37Å; G497-N500 PolarHBondContact O-N 3.4Å; W498-N500 PolarHBondContact O-N 3.37Å; N500-T503 PolarHBondContact O-N 3.06Å; N500-L504 WeakPolarHBondContact O-CB 3.33Å; N500-L504 PolarHBondContact O-N 3.37Å
501	I	80.5	Confident	84.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-49.8	179.6	-65.5	176.1	0	0	0	111	L495 G497 W498 H505 P523 I549 T551	L495-I501 HydrophobicContact CB-CG1 4.02Å; L495-I501 HydrophobicContact CD1-CG1 4.09Å; G497-I501 WeakPolarHBondContact O-CG1 3.38Å; G497-I501 PolarHBondContact O-N 3.1Å; W498-I501 PolarHBondContact O-N 3.44Å; W498-I501 VanDerWaalsContact O-N 3.13Å; I501-H505 VanDerWaalsContact O-CB 3.31Å; I501-H505 WeakPolarHBondContact O-CB 3.39Å; I501-H505 PolarHBondContact O-N 3.33Å; I501-P523 HydrophobicContact CG2-CB 3.62Å; I501-I549 HydrophobicContact CB-CG2 4.2Å; I501-I549 HydrophobicContact CG1-CG2 4.08Å; I501-I549 HydrophobicContact CG2-CB 4.23Å; I501-I549 HydrophobicContact CG2-CG2 3.92Å; I501-T551 HydrophobicContact CD1-CG2 3.59Å
502	S	72.1	Confident	84.2	Confident	30 Å²	30	38.8 Å²	38.8	21%	0.21	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-41	177.6	49.4	0	0	0	0	111.7	W498 D499 L504 H505 D506	W498-S502 PolarHBondContact O-N 2.87Å; W498-S502 PolarHBondContact O-OG 2.92Å; D499-S502 PolarHBondContact O-OG 3.36Å; S502-L504 PolarHBondContact O-N 3.34Å; S502-H505 PolarHBondContact O-N 3.17Å; S502-D506 WeakPolarHBondContact O-CB 3.27Å; S502-D506 VanDerWaalsContact O-CG 3.25Å; S502-D506 PolarHBondContact O-N 3.19Å
503	T	75.7	Confident	84	Confident	57 Å²	57	41.6 Å²	41.6	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-44.1	178.4	-55.2	0	0	0	0	111.6	L472 D499 N500 D506 L507	L472-T503 HydrophobicContact CD1-CG2 3.62Å; D499-T503 WeakPolarHBondContact O-CB 3.34Å; D499-T503 PolarHBondContact O-N 3.38Å; D499-T503 PolarHBondContact O-OG1 3.31Å; N500-T503 PolarHBondContact O-N 3.06Å; T503-D506 PolarHBondContact O-N 3.22Å; T503-L507 HydrophobicContact CG2-CD1 4.17Å; T503-L507 HydrophobicContact CG2-CG 4.49Å; T503-L507 WeakPolarHBondContact O-CB 3.38Å; T503-L507 VanDerWaalsContact O-CG 3.26Å; T503-L507 WeakPolarHBondContact O-CG 3.25Å; T503-L507 PolarHBondContact O-N 2.86Å
504	L	87.7	Confident	83.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66	-41.9	176.7	179.7	62.1	0	0	0	112	I475 V476 I479 V493 L495 N500 S502 D506 L507 L508 I549	I475-L504 HydrophobicContact CB-CD1 4.3Å; I475-L504 HydrophobicContact CG2-CD1 3.93Å; I475-L504 HydrophobicContact CG2-CD2 3.59Å; I475-L504 HydrophobicContact CG2-CG 4.45Å; V476-L504 HydrophobicContact CG2-CD1 3.42Å; V476-L504 VanDerWaalsContact CG2-CD1 3.42Å; I479-L504 HydrophobicContact CD1-CD2 4.38Å; V493-L504 HydrophobicContact CG1-CD2 3.93Å; L495-L504 HydrophobicContact CD1-CB 4.12Å; L495-L504 HydrophobicContact CD1-CD2 3.85Å; N500-L504 WeakPolarHBondContact O-CB 3.33Å; N500-L504 PolarHBondContact O-N 3.37Å; S502-L504 PolarHBondContact O-N 3.34Å; L504-D506 VanDerWaalsContact C-N 3.33Å; L504-D506 PolarHBondContact O-N 3.36Å; L504-L507 PolarHBondContact O-N 3.1Å; L504-L508 HydrophobicContact CD1-CD1 4.31Å; L504-L508 HydrophobicContact CD1-CG 4.27Å; L504-L508 HydrophobicContact CG-CD1 4.09Å; L504-L508 HydrophobicContact CG-CG 4.5Å; L504-L508 WeakPolarHBondContact O-CG 3.33Å; L504-L508 PolarHBondContact O-N 3.18Å; L504-I549 HydrophobicContact CD2-CD1 4.23Å; L504-I549 HydrophobicContact CD2-CG1 4.43Å; L504-I549 HydrophobicContact CD2-CG2 3.92Å; L504-I549 HydrophobicContact CG-CD1 4.16Å
505	H	83.9	Confident	83.4	Confident	47 Å²	47	48.1 Å²	48.1	22%	0.218	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-48.4	174.6	171.6	-84.7	0	0	0	111.2	I501 S502 L508 M509 I549	I501-H505 VanDerWaalsContact O-CB 3.31Å; I501-H505 WeakPolarHBondContact O-CB 3.39Å; I501-H505 PolarHBondContact O-N 3.33Å; S502-H505 PolarHBondContact O-N 3.17Å; H505-L508 PolarHBondContact O-N 3.36Å; H505-M509 WeakPolarHBondContact O-CB 3.27Å; H505-M509 VanDerWaalsContact O-CG 3.29Å; H505-M509 WeakPolarHBondContact O-CG 3.32Å; H505-M509 PolarHBondContact O-N 2.96Å; H505-I549 HydrophobicContact CB-CD1 4.13Å
506	D	75.9	Confident	83.4	Confident	102 Å²	102	49.9 Å²	49.9	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-70.5	-35	-178.3	-66.3	-8.9	0	0	0	111.9	S502 T503 L504 M509 S510	S502-D506 WeakPolarHBondContact O-CB 3.27Å; S502-D506 VanDerWaalsContact O-CG 3.25Å; S502-D506 PolarHBondContact O-N 3.19Å; T503-D506 PolarHBondContact O-N 3.22Å; L504-D506 VanDerWaalsContact C-N 3.33Å; L504-D506 PolarHBondContact O-N 3.36Å; D506-M509 PolarHBondContact O-N 2.94Å; D506-S510 WeakPolarHBondContact O-CB 3.49Å; D506-S510 PolarHBondContact O-N 2.65Å
507	L	83.8	Confident	83.7	Confident	51 Å²	51	56 Å²	56	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-45.4	171.3	-77.3	171.9	0	0	0	112	L472 V476 T503 L504 S510	L472-L507 HydrophobicContact CB-CD1 3.91Å; V476-L507 HydrophobicContact CG2-CB 3.98Å; V476-L507 HydrophobicContact CG2-CD1 4.49Å; T503-L507 HydrophobicContact CG2-CD1 4.17Å; T503-L507 HydrophobicContact CG2-CG 4.49Å; T503-L507 WeakPolarHBondContact O-CB 3.38Å; T503-L507 VanDerWaalsContact O-CG 3.26Å; T503-L507 WeakPolarHBondContact O-CG 3.25Å; T503-L507 PolarHBondContact O-N 2.86Å; L504-L507 PolarHBondContact O-N 3.1Å; L507-S510 PolarHBondContact O-N 3.44Å; L507-S510 PolarHBondContact O-OG 3.12Å
508	L	89.2	Confident	84.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-52.7	174.7	-69.6	166.7	0	0	0	110.3	V476 I479 L504 H505 S510 Q511 F514 I521 I549	V476-L508 HydrophobicContact CG1-CD2 4.33Å; V476-L508 HydrophobicContact CG2-CD2 4.14Å; V476-L508 HydrophobicContact CG2-CG 4.35Å; I479-L508 HydrophobicContact CB-CD2 4.44Å; I479-L508 HydrophobicContact CD1-CD1 3.95Å; I479-L508 HydrophobicContact CD1-CD2 4.12Å; I479-L508 HydrophobicContact CG2-CD2 4.08Å; L504-L508 HydrophobicContact CD1-CD1 4.31Å; L504-L508 HydrophobicContact CD1-CG 4.27Å; L504-L508 HydrophobicContact CG-CD1 4.09Å; L504-L508 HydrophobicContact CG-CG 4.5Å; L504-L508 WeakPolarHBondContact O-CG 3.33Å; L504-L508 PolarHBondContact O-N 3.18Å; H505-L508 PolarHBondContact O-N 3.36Å; L508-S510 PolarHBondContact O-N 3.25Å; L508-S510 VanDerWaalsContact O-N 3.12Å; L508-Q511 PolarHBondContact O-N 3.49Å; L508-F514 HydrophobicContact CB-CB 4.46Å; L508-F514 HydrophobicContact CB-CD2 4.13Å; L508-F514 HydrophobicContact CB-CG 4.34Å; L508-F514 HydrophobicContact CD2-CD2 3.69Å; L508-F514 HydrophobicContact CD2-CE1 4.36Å; L508-F514 HydrophobicContact CD2-CE2 3.48Å; L508-F514 VanDerWaalsContact CD2-CE2 3.48Å; L508-F514 HydrophobicContact CD2-CG 4.24Å; L508-F514 HydrophobicContact CD2-CZ 3.85Å; L508-F514 WeakPolarHBondContact O-CB 3.49Å; L508-I521 HydrophobicContact CB-CD1 4.01Å; L508-I521 HydrophobicContact CD1-CD1 4.28Å; L508-I521 HydrophobicContact CD1-CG2 4.49Å; L508-I549 HydrophobicContact CD1-CD1 3.89Å
509	M	83.3	Confident	85.6	Confident	63 Å²	63	60.8 Å²	60.8	31%	0.31	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-16	179.5	-70.3	-63.8	-178.8	0	0	114	H505 D506 Q511 K515 I521	H505-M509 WeakPolarHBondContact O-CB 3.27Å; H505-M509 VanDerWaalsContact O-CG 3.29Å; H505-M509 WeakPolarHBondContact O-CG 3.32Å; H505-M509 PolarHBondContact O-N 2.96Å; D506-M509 PolarHBondContact O-N 2.94Å; M509-Q511 VanDerWaalsContact C-N 3.29Å; M509-K515 WeakPolarHBondContact O-CE 3.43Å; M509-I521 HydrophobicContact CE-CB 3.82Å; M509-I521 HydrophobicContact CE-CD1 3.92Å; M509-I521 HydrophobicContact CE-CG1 4.04Å; M509-I521 HydrophobicContact SD-CD1 4.47Å
510	S	83.4	Confident	86.8	Confident	73 Å²	73	58.5 Å²	58.5	51%	0.51	31%	0.31	S	S	.	.	H	α-helix	trans	-68.4	-31	171.6	78.7	0	0	0	0	112.1	D506 L507 L508	D506-S510 WeakPolarHBondContact O-CB 3.49Å; D506-S510 PolarHBondContact O-N 2.65Å; L507-S510 PolarHBondContact O-N 3.44Å; L507-S510 PolarHBondContact O-OG 3.12Å; L508-S510 PolarHBondContact O-N 3.25Å; L508-S510 VanDerWaalsContact O-N 3.12Å
511	Q	90	Very high	87.3	Confident	47 Å²	47	57.8 Å²	57.8	22%	0.22	31%	0.306	C	S	.	.	S	Bend	trans	-86.3	134.7	-174.3	-56.4	-177.6	8.4	0	0	111.2	R480 L508 M509 M513 F514	R480-Q511 VanDerWaalsContact NH2-CD 3.27Å; R480-Q511 VanDerWaalsContact NH2-NE2 3.12Å; L508-Q511 PolarHBondContact O-N 3.49Å; M509-Q511 VanDerWaalsContact C-N 3.29Å; Q511-M513 PolarHBondContact O-N 3.29Å; Q511-M513 VanDerWaalsContact O-N 3.17Å; Q511-F514 HydrophobicContact CB-CD2 4.14Å; Q511-F514 PolarHBondContact O-N 2.68Å
512	V	92.8	Very high	87.6	Confident	125 Å²	125	58.3 Å²	58.3	76%	0.758	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-57.2	-35.7	-175.8	-179.1	0	0	0	0	112.3	F514 K515	V512-F514 PolarHBondContact O-N 3.42Å; V512-K515 PolarHBondContact O-N 2.97Å
513	M	93.8	Very high	88.1	Confident	61 Å²	61	58.2 Å²	58.2	30%	0.3	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-53.3	-51	177.7	-178.7	174.7	179.6	0	0	112.8	R480 V483 L484 Q511 K515 S516 F519	R480-M513 HydrophobicContact CG-CE 4.37Å; R480-M513 HydrophobicContact CG-SD 3.97Å; V483-M513 HydrophobicContact CB-CE 4.03Å; V483-M513 HydrophobicContact CG1-CE 3.37Å; L484-M513 HydrophobicContact CD2-CE 3.79Å; L484-M513 HydrophobicContact CG-CE 4.02Å; Q511-M513 PolarHBondContact O-N 3.29Å; Q511-M513 VanDerWaalsContact O-N 3.17Å; M513-K515 VanDerWaalsContact C-N 3.3Å; M513-K515 PolarHBondContact O-N 2.84Å; M513-S516 PolarHBondContact O-N 2.77Å; M513-F519 HydrophobicContact CE-CZ 4.35Å; M513-F519 HydrophobicContact CG-CE2 4.28Å; M513-F519 HydrophobicContact CG-CZ 4.49Å; M513-F519 VanDerWaalsContact O-CD2 3.3Å; M513-F519 WeakPolarHBondContact O-CD2 3.49Å; M513-F519 WeakPolarHBondContact O-CE2 3.45Å
514	F	93.6	Very high	88.3	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.009	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-82.1	-4.3	-174.5	-63	-63	0	0	0	114.1	I479 R480 V483 L508 Q511 V512 S516 F519 I521 I547	I479-F514 HydrophobicContact CG2-CE1 3.94Å; I479-F514 HydrophobicContact CG2-CZ 3.83Å; R480-F514 HydrophobicContact CB-CZ 4.42Å; V483-F514 HydrophobicContact CG2-CE1 4.32Å; L508-F514 HydrophobicContact CB-CB 4.46Å; L508-F514 HydrophobicContact CB-CD2 4.13Å; L508-F514 HydrophobicContact CB-CG 4.34Å; L508-F514 HydrophobicContact CD2-CD2 3.69Å; L508-F514 HydrophobicContact CD2-CE1 4.36Å; L508-F514 HydrophobicContact CD2-CE2 3.48Å; L508-F514 VanDerWaalsContact CD2-CE2 3.48Å; L508-F514 HydrophobicContact CD2-CG 4.24Å; L508-F514 HydrophobicContact CD2-CZ 3.85Å; L508-F514 WeakPolarHBondContact O-CB 3.49Å; Q511-F514 HydrophobicContact CB-CD2 4.14Å; Q511-F514 PolarHBondContact O-N 2.68Å; V512-F514 PolarHBondContact O-N 3.42Å; F514-S516 VanDerWaalsContact C-N 3.3Å; F514-F519 HydrophobicContact CD1-CD1 4.09Å; F514-F519 HydrophobicContact CD1-CD2 4.25Å; F514-F519 HydrophobicContact CD1-CE1 4.27Å; F514-F519 HydrophobicContact CD1-CE2 4.41Å; F514-F519 HydrophobicContact CD1-CG 4.08Å; F514-F519 HydrophobicContact CD1-CZ 4.43Å; F514-F519 HydrophobicContact CE1-CD1 4.47Å; F514-F519 HydrophobicContact CE1-CE1 4.31Å; F514-I521 HydrophobicContact CB-CD1 3.99Å; F514-I521 HydrophobicContact CD1-CD1 4.43Å; F514-I521 HydrophobicContact CG-CD1 4.41Å; F514-I547 HydrophobicContact CD1-CD1 4.22Å; F514-I547 HydrophobicContact CE1-CD1 4.08Å
515	K	89.5	Confident	87.8	Confident	135 Å²	135	56.6 Å²	56.6	59%	0.587	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-79.9	-8.2	171.9	-67.1	-177.1	-177	177.5	0	113.7	M509 V512 M513	M509-K515 WeakPolarHBondContact O-CE 3.43Å; V512-K515 PolarHBondContact O-N 2.97Å; M513-K515 VanDerWaalsContact C-N 3.3Å; M513-K515 PolarHBondContact O-N 2.84Å
516	S	93.6	Very high	86.8	Confident	39 Å²	39	57.6 Å²	57.6	27%	0.273	31%	0.308	S	S	.	.	S	Bend	trans	-70.3	143.9	175.5	171.2	0	0	0	0	111.2	M513 F514 K518 F519	M513-S516 PolarHBondContact O-N 2.77Å; F514-S516 VanDerWaalsContact C-N 3.3Å; S516-K518 PolarHBondContact O-N 3.18Å; S516-K518 WeakPolarHBondContact OG-CB 3.49Å; S516-K518 WeakPolarHBondContact OG-CG 3.46Å; S516-K518 PolarHBondContact OG-N 3.37Å; S516-K518 VanDerWaalsContact OG-N 3.08Å; S516-F519 PolarHBondContact O-N 3.17Å
517	D	92.1	Very high	85.7	Confident	140 Å²	140	56.2 Å²	56.2	75%	0.749	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-18.2	162.7	59.1	-33.4	0	0	0	115.3	F519	D517-F519 PolarHBondContact O-N 2.94Å
518	K	94.5	Very high	84.5	Confident	126 Å²	126	55 Å²	55	55%	0.548	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.3	170.3	-64.1	-176.2	179.1	-173.9	0	114.4	S516 V544 R545	S516-K518 PolarHBondContact O-N 3.18Å; S516-K518 WeakPolarHBondContact OG-CB 3.49Å; S516-K518 WeakPolarHBondContact OG-CG 3.46Å; S516-K518 PolarHBondContact OG-N 3.37Å; S516-K518 VanDerWaalsContact OG-N 3.08Å; K518-V544 CarbonylContact O-C 3.58Å; K518-V544 VanDerWaalsContact O-CA 3.31Å; K518-V544 WeakPolarHBondContact O-CA 3.41Å; K518-R545 PolarHBondContact O-N 3.3Å
519	F	95.2	Very high	82.6	Confident	37 Å²	37	58 Å²	58	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	177.9	-62.4	-73.8	0	0	0	111.9	V483 M513 F514 S516 D517 I521 R545 I547	V483-F519 HydrophobicContact CG1-CE1 3.53Å; V483-F519 HydrophobicContact CG1-CZ 3.57Å; V483-F519 HydrophobicContact CG2-CE1 4.09Å; M513-F519 HydrophobicContact CE-CZ 4.35Å; M513-F519 HydrophobicContact CG-CE2 4.28Å; M513-F519 HydrophobicContact CG-CZ 4.49Å; M513-F519 VanDerWaalsContact O-CD2 3.3Å; M513-F519 WeakPolarHBondContact O-CD2 3.49Å; M513-F519 WeakPolarHBondContact O-CE2 3.45Å; F514-F519 HydrophobicContact CD1-CD1 4.09Å; F514-F519 HydrophobicContact CD1-CD2 4.25Å; F514-F519 HydrophobicContact CD1-CE1 4.27Å; F514-F519 HydrophobicContact CD1-CE2 4.41Å; F514-F519 HydrophobicContact CD1-CG 4.08Å; F514-F519 HydrophobicContact CD1-CZ 4.43Å; F514-F519 HydrophobicContact CE1-CD1 4.47Å; F514-F519 HydrophobicContact CE1-CE1 4.31Å; S516-F519 PolarHBondContact O-N 3.17Å; D517-F519 PolarHBondContact O-N 2.94Å; F519-I521 HydrophobicContact CB-CG1 4.32Å; F519-R545 WeakPolarHBondContact CA-O 3.38Å; F519-R545 HydrophobicContact CD1-CB 4.35Å; F519-R545 HydrophobicContact CE1-CB 4.37Å; F519-I547 HydrophobicContact CD1-CD1 4.11Å
520	L	92.4	Very high	81.2	Confident	62 Å²	62	57.4 Å²	57.4	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	93.6	171.4	-179.3	59.3	0	0	0	109.1	I522 T540 V544 R545 K546 I547	L520-I522 HydrophobicContact CD1-CD1 4.46Å; L520-I522 HydrophobicContact CD1-CG1 4.23Å; L520-I522 HydrophobicContact CD2-CD1 4.04Å; L520-I522 HydrophobicContact CG-CD1 3.93Å; L520-I522 HydrophobicContact CG-CG1 3.95Å; L520-T540 HydrophobicContact CB-CG2 4.12Å; L520-T540 HydrophobicContact CD2-CG2 3.73Å; L520-V544 HydrophobicContact CB-CG1 4.27Å; L520-R545 PolarHBondContact N-O 3.29Å; L520-K546 WeakPolarHBondContact O-CA 3.46Å; L520-I547 PolarHBondContact O-N 3.06Å
521	I	90.9	Very high	79.4	Confident	16 Å²	16	59.1 Å²	59.1	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.8	-178.9	-49.1	-171.1	0	0	0	109.5	L508 M509 F514 F519 I547 I549	L508-I521 HydrophobicContact CB-CD1 4.01Å; L508-I521 HydrophobicContact CD1-CD1 4.28Å; L508-I521 HydrophobicContact CD1-CG2 4.49Å; M509-I521 HydrophobicContact CE-CB 3.82Å; M509-I521 HydrophobicContact CE-CD1 3.92Å; M509-I521 HydrophobicContact CE-CG1 4.04Å; M509-I521 HydrophobicContact SD-CD1 4.47Å; F514-I521 HydrophobicContact CB-CD1 3.99Å; F514-I521 HydrophobicContact CD1-CD1 4.43Å; F514-I521 HydrophobicContact CG-CD1 4.41Å; F519-I521 HydrophobicContact CB-CG1 4.32Å; I521-I547 CarbonylContact C-O 3.54Å; I521-I547 VanDerWaalsContact CA-O 3.3Å; I521-I547 WeakPolarHBondContact CA-O 3.4Å; I521-I547 HydrophobicContact CD1-CD1 4.42Å; I521-I547 HydrophobicContact CG1-CB 4.28Å; I521-I547 HydrophobicContact CG1-CD1 4.35Å; I521-I549 HydrophobicContact CG2-CD1 3.77Å; I521-I549 HydrophobicContact CG2-CG1 4.35Å
522	I	86.7	Confident	77.6	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.7	-173.1	-54.8	178	0	0	0	109.4	L520 V536 K546 I547 V548 I549	L520-I522 HydrophobicContact CD1-CD1 4.46Å; L520-I522 HydrophobicContact CD1-CG1 4.23Å; L520-I522 HydrophobicContact CD2-CD1 4.04Å; L520-I522 HydrophobicContact CG-CD1 3.93Å; L520-I522 HydrophobicContact CG-CG1 3.95Å; I522-V536 HydrophobicContact CD1-CB 4.5Å; I522-V536 HydrophobicContact CD1-CG2 4.37Å; I522-V536 HydrophobicContact CG2-CG2 4.35Å; I522-K546 HydrophobicContact CD1-CD 4.1Å; I522-K546 HydrophobicContact CD1-CG 4.31Å; I522-I547 PolarHBondContact N-O 2.93Å; I522-V548 CarbonylContact O-C 3.57Å; I522-V548 WeakPolarHBondContact O-CA 3.34Å; I522-I549 PolarHBondContact O-N 2.82Å
523	P	82.9	Confident	75.9	Confident	28 Å²	28	55.3 Å²	55.3	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	143.9	165	28.8	-31.9	0	0	0	110	I501 M528 I549	I501-P523 HydrophobicContact CG2-CB 3.62Å; P523-M528 VanDerWaalsContact C-SD 3.56Å; P523-M528 HydrophobicContact CB-SD 4.28Å; P523-M528 HydrophobicContact CG-CE 4.11Å; P523-M528 HydrophobicContact CG-SD 4.42Å; P523-M528 VanDerWaalsContact O-CE 3.22Å; P523-M528 WeakPolarHBondContact O-CE 3.27Å; P523-I549 CarbonylContact C-O 3.52Å; P523-I549 WeakPolarHBondContact CA-O 3.27Å
524	L	79.9	Confident	74.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	110.1	-177.2	-178.4	63.5	0	0	0	111.4	Q533 V536 V548 I549 A550 T551 I553 A554 I558 I560	L524-Q533 HydrophobicContact CD1-CB 4.25Å; L524-Q533 HydrophobicContact CD1-CG 4.05Å; L524-V536 HydrophobicContact CD2-CG2 4.43Å; L524-V548 HydrophobicContact CB-CG1 4.03Å; L524-V548 HydrophobicContact CD2-CG1 3.99Å; L524-I549 PolarHBondContact N-O 3.07Å; L524-A550 HydrophobicContact CB-CB 4.02Å; L524-A550 HydrophobicContact CD2-CB 4.08Å; L524-A550 HydrophobicContact CG-CB 4.35Å; L524-A550 VanDerWaalsContact O-CA 3.28Å; L524-A550 WeakPolarHBondContact O-CA 3.45Å; L524-T551 PolarHBondContact O-N 3.13Å; L524-I553 HydrophobicContact CD2-CG2 4.38Å; L524-I553 HydrophobicContact CG-CG2 4.03Å; L524-A554 HydrophobicContact CD2-CB 4.36Å; L524-I558 HydrophobicContact CD1-CD1 4.02Å; L524-I558 HydrophobicContact CD2-CD1 4Å; L524-I558 HydrophobicContact CD2-CG2 4.33Å; L524-I558 HydrophobicContact CG-CD1 4.34Å; L524-I560 HydrophobicContact CD2-CD1 4.43Å
525	H	75.7	Confident	73.3	Confident	24 Å²	24	60 Å²	60	11%	0.111	32%	0.322	C	S	.	.			trans	-137.2	151.3	177.9	-160.2	-62.8	0	0	0	110.2	W498 L527 M528 Q533	W498-H525 HydrophobicContact CE3-CB 4.01Å; W498-H525 HydrophobicContact CZ3-CB 4.35Å; W498-H525 PolarHBondContact N-CD2 3.32Å; W498-H525 PolarHBondContact N-NE2 3.1Å; H525-L527 PolarHBondContact ND1-N 2.82Å; H525-L527 PolarHBondContact O-N 3.26Å; H525-M528 HydrophobicContact CB-CG 4.16Å; H525-M528 HydrophobicContact CB-SD 4.41Å; H525-M528 PolarHBondContact O-N 2.69Å; H525-Q533 PolarHBondContact O-NE2 2.88Å
526	S	64.5	Low	72.7	Confident	68 Å²	68	53.5 Å²	53.5	48%	0.476	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-17.9	171.8	52.8	0	0	0	0	115.4
527	L	53.1	Low	71.9	Confident	73 Å²	73	54.8 Å²	54.8	38%	0.382	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	21.7	-173.8	-62.3	156.3	0	0	0	111	H525 F727 M793	H525-L527 PolarHBondContact ND1-N 2.82Å; H525-L527 PolarHBondContact O-N 3.26Å; L527-F727 HydrophobicContact CB-CE2 3.8Å; L527-F727 HydrophobicContact CB-CZ 4.17Å; L527-F727 HydrophobicContact CD1-CD2 3.76Å; L527-F727 HydrophobicContact CD1-CE2 3.45Å; L527-F727 VanDerWaalsContact CD1-CE2 3.45Å; L527-F727 HydrophobicContact CD2-CD2 4.01Å; L527-F727 HydrophobicContact CD2-CE2 4.1Å; L527-F727 HydrophobicContact CG-CD2 4.29Å; L527-F727 HydrophobicContact CG-CE2 3.94Å; L527-M793 WeakPolarHBondContact O-CE 3.42Å
528	M	56.7	Low	71.4	Confident	26 Å²	26	55 Å²	55	13%	0.128	29%	0.289	C	S	.	.	S	Bend	trans	-97.6	145	168.2	-71.7	-179.9	64.6	0	0	111	W498 P523 H525 T530 N532 Q533	W498-M528 HydrophobicContact CZ3-CG 3.92Å; W498-M528 HydrophobicContact CZ3-SD 3.88Å; P523-M528 VanDerWaalsContact C-SD 3.56Å; P523-M528 HydrophobicContact CB-SD 4.28Å; P523-M528 HydrophobicContact CG-CE 4.11Å; P523-M528 HydrophobicContact CG-SD 4.42Å; P523-M528 VanDerWaalsContact O-CE 3.22Å; P523-M528 WeakPolarHBondContact O-CE 3.27Å; H525-M528 HydrophobicContact CB-CG 4.16Å; H525-M528 HydrophobicContact CB-SD 4.41Å; H525-M528 PolarHBondContact O-N 2.69Å; M528-T530 PolarHBondContact O-N 3.36Å; M528-N532 HydrophobicContact CE-CB 4.38Å; M528-Q533 HydrophobicContact CB-CG 4.41Å; M528-Q533 PolarHBondContact O-NE2 2.83Å
529	P	51.2	Low	70.7	Confident	61 Å²	61	57.1 Å²	57.1	40%	0.396	29%	0.293	S	S	.	.			trans	-55	135.4	175.7	-25.9	34.9	0	0	0	112.8	V531 N532	P529-V531 PolarHBondContact O-N 3.15Å; P529-V531 VanDerWaalsContact O-N 3.11Å; P529-N532 PolarHBondContact O-N 3.18Å
530	T	51.8	Low	70.3	Confident	52 Å²	52	57 Å²	57	32%	0.319	30%	0.296	S	S	.	.	H	α-helix	trans	-50.6	-40.5	-174.4	-43	0	0	0	0	113.2	I267 I270 M528 N532 Q533 T534	I267-T530 HydrophobicContact CD1-CG2 4.09Å; I270-T530 HydrophobicContact CD1-CG2 3.71Å; M528-T530 PolarHBondContact O-N 3.36Å; T530-N532 VanDerWaalsContact C-N 3.31Å; T530-N532 PolarHBondContact O-N 3.2Å; T530-Q533 WeakPolarHBondContact O-CB 3.27Å; T530-Q533 PolarHBondContact O-N 2.69Å; T530-Q533 VanDerWaalsContact O-N 3.14Å; T530-T534 PolarHBondContact O-N 3.2Å
531	V	47.3	Very low	70.1	Confident	109 Å²	109	58.2 Å²	58.2	66%	0.661	31%	0.307	S	S	*	.	H	α-helix	trans	-59.2	-41.1	-179	-176.6	0	0	0	0	111.7	P529 Q533 T534	P529-V531 PolarHBondContact O-N 3.15Å; P529-V531 VanDerWaalsContact O-N 3.11Å; V531-Q533 VanDerWaalsContact C-N 3.31Å; V531-Q533 PolarHBondContact O-N 3.17Å; V531-T534 PolarHBondContact O-N 2.96Å; V531-T534 PolarHBondContact O-OG1 3.35Å
532	N	51.5	Low	69.9	Low	81 Å²	81	63.9 Å²	63.9	43%	0.433	35%	0.345	S	S	.	.	H	α-helix	trans	-71.2	-28.3	-179.2	-67.2	2.1	0	0	0	111.9	M528 P529 T530 T534	M528-N532 HydrophobicContact CE-CB 4.38Å; P529-N532 PolarHBondContact O-N 3.18Å; T530-N532 VanDerWaalsContact C-N 3.31Å; T530-N532 PolarHBondContact O-N 3.2Å; N532-T534 VanDerWaalsContact C-N 3.29Å; N532-T534 PolarHBondContact O-N 2.97Å
533	Q	57.5	Low	69.9	Low	10 Å²	10	65.7 Å²	65.7	5%	0.047	37%	0.367	C	S	.	.	H	α-helix	trans	-67.9	-29.9	176.1	-54.9	-175.4	19.9	0	0	111.6	I267 L524 H525 M528 T530 V531 Q535 V536	I267-Q533 HydrophobicContact CD1-CB 4.26Å; I267-Q533 VanDerWaalsContact CG1-OE1 3.31Å; L524-Q533 HydrophobicContact CD1-CB 4.25Å; L524-Q533 HydrophobicContact CD1-CG 4.05Å; H525-Q533 PolarHBondContact O-NE2 2.88Å; M528-Q533 HydrophobicContact CB-CG 4.41Å; M528-Q533 PolarHBondContact O-NE2 2.83Å; T530-Q533 WeakPolarHBondContact O-CB 3.27Å; T530-Q533 PolarHBondContact O-N 2.69Å; T530-Q533 VanDerWaalsContact O-N 3.14Å; V531-Q533 VanDerWaalsContact C-N 3.31Å; V531-Q533 PolarHBondContact O-N 3.17Å; Q533-Q535 PolarHBondContact O-N 3.42Å; Q533-Q535 VanDerWaalsContact O-N 3.14Å; Q533-V536 WeakPolarHBondContact O-CB 3.41Å; Q533-V536 WeakPolarHBondContact O-CG1 3.44Å; Q533-V536 PolarHBondContact O-N 3.4Å; Q533-V536 VanDerWaalsContact O-N 3.09Å
534	T	63	Low	70.5	Confident	59 Å²	59	66.1 Å²	66.1	36%	0.362	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-61.9	-24.9	-176.7	67.2	0	0	0	0	114.4	T530 V531 N532 V536 F537	T530-T534 PolarHBondContact O-N 3.2Å; V531-T534 PolarHBondContact O-N 2.96Å; V531-T534 PolarHBondContact O-OG1 3.35Å; N532-T534 VanDerWaalsContact C-N 3.29Å; N532-T534 PolarHBondContact O-N 2.97Å; T534-V536 PolarHBondContact O-N 3.19Å; T534-F537 PolarHBondContact O-N 3.15Å
535	Q	69.5	Low	71.2	Confident	102 Å²	102	67.2 Å²	67.2	48%	0.477	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65.8	-26.9	178.3	-62	-174.2	3.6	0	0	112.2	Q533 F537 K538	Q533-Q535 PolarHBondContact O-N 3.42Å; Q533-Q535 VanDerWaalsContact O-N 3.14Å; Q535-F537 PolarHBondContact O-N 3.17Å; Q535-K538 PolarHBondContact O-N 2.92Å
536	V	77.8	Confident	72.2	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-64.6	-29.5	-177	89.3	0	0	0	0	112.9	I522 L524 Q533 T534 K538 K546 V548 I558 I560	I522-V536 HydrophobicContact CD1-CB 4.5Å; I522-V536 HydrophobicContact CD1-CG2 4.37Å; I522-V536 HydrophobicContact CG2-CG2 4.35Å; L524-V536 HydrophobicContact CD2-CG2 4.43Å; Q533-V536 WeakPolarHBondContact O-CB 3.41Å; Q533-V536 WeakPolarHBondContact O-CG1 3.44Å; Q533-V536 PolarHBondContact O-N 3.4Å; Q533-V536 VanDerWaalsContact O-N 3.09Å; T534-V536 PolarHBondContact O-N 3.19Å; V536-K538 VanDerWaalsContact C-N 3.35Å; V536-K546 PolarHBondContact O-NZ 3.2Å; V536-V548 HydrophobicContact CG2-CB 4.26Å; V536-V548 HydrophobicContact CG2-CG1 3.63Å; V536-V548 HydrophobicContact CG2-CG2 3.56Å; V536-I558 HydrophobicContact CG1-CG2 4.17Å; V536-I560 HydrophobicContact CG1-CD1 4.47Å; V536-I560 HydrophobicContact CG1-CG1 4.21Å; V536-I560 HydrophobicContact CG2-CD1 3.7Å; V536-I560 HydrophobicContact CG2-CG1 4.14Å
537	F	76.7	Confident	73.7	Confident	66 Å²	66	62.9 Å²	62.9	29%	0.289	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-78.3	-16.9	-179	-58.1	-66.4	0	0	0	113.7	T534 Q535 I558 T559	T534-F537 PolarHBondContact O-N 3.15Å; Q535-F537 PolarHBondContact O-N 3.17Å; F537-I558 HydrophobicContact CE1-CG2 3.6Å; F537-I558 HydrophobicContact CZ-CG2 3.8Å; F537-T559 WeakPolarHBondContact CD1-O 3.38Å; F537-T559 WeakPolarHBondContact CE1-O 3.36Å
538	K	80.3	Confident	75.6	Confident	145 Å²	145	59.4 Å²	59.4	63%	0.63	33%	0.327	S	S	*	.	S	Bend	trans	-76.2	133.8	179.2	-63.7	-174.3	179.2	-177	0	109.4	Q535 V536 K546	Q535-K538 PolarHBondContact O-N 2.92Å; V536-K538 VanDerWaalsContact C-N 3.35Å; K538-K546 PolarHBondContact O-NZ 3.15Å
539	R	81.1	Confident	77.4	Confident	169 Å²	169	58.1 Å²	58.1	64%	0.638	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-66.7	142.9	166.4	-71.3	-171.6	176.5	-162.9	-3.8	109.4	D562	R539-D562 HydrophobicContact CG-CB 4.37Å
540	T	85.4	Confident	79.3	Confident	36 Å²	36	55.2 Å²	55.2	22%	0.221	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-77.2	154.3	173.7	39.2	0	0	0	0	111.7	L520 V544 K546	L520-T540 HydrophobicContact CB-CG2 4.12Å; L520-T540 HydrophobicContact CD2-CG2 3.73Å; T540-V544 WeakPolarHBondContact CB-O 3.46Å; T540-V544 HydrophobicContact CG2-CB 4.39Å; T540-V544 HydrophobicContact CG2-CG1 3.91Å; T540-V544 PolarHBondContact OG1-O 3Å; T540-K546 HydrophobicContact CG2-CB 3.85Å
541	P	87.9	Confident	81.1	Confident	86 Å²	86	53 Å²	53	56%	0.558	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-60.8	154.4	167.4	-21.2	33.6	0	0	0	111.6	G543 V544	P541-G543 PolarHBondContact O-N 2.86Å; P541-V544 HydrophobicContact CB-CG2 4.43Å; P541-V544 PolarHBondContact O-N 2.84Å
542	P	86.6	Confident	83	Confident	135 Å²	135	50.3 Å²	50.3	88%	0.877	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	135.1	173.3	-25.9	34.9	0	0	0	112.1	V544	P542-V544 VanDerWaalsContact C-N 3.31Å
543	G	88.4	Confident	84.4	Confident	50 Å²	50	46.7 Å²	46.7	52%	0.515	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	1.1	-176.9	0	0	0	0	0	115.8	P541	P541-G543 PolarHBondContact O-N 2.86Å
544	V	94.3	Very high	85.7	Confident	37 Å²	37	46.2 Å²	46.2	22%	0.224	25%	0.249	C	C	.	.			trans	-109.3	116.8	169.6	-178.6	0	0	0	0	109.4	K518 L520 T540 P541 P542	K518-V544 CarbonylContact O-C 3.58Å; K518-V544 VanDerWaalsContact O-CA 3.31Å; K518-V544 WeakPolarHBondContact O-CA 3.41Å; L520-V544 HydrophobicContact CB-CG1 4.27Å; T540-V544 WeakPolarHBondContact CB-O 3.46Å; T540-V544 HydrophobicContact CG2-CB 4.39Å; T540-V544 HydrophobicContact CG2-CG1 3.91Å; T540-V544 PolarHBondContact OG1-O 3Å; P541-V544 HydrophobicContact CB-CG2 4.43Å; P541-V544 PolarHBondContact O-N 2.84Å; P542-V544 VanDerWaalsContact C-N 3.31Å
545	R	95.5	Very high	86.6	Confident	23 Å²	23	43.7 Å²	43.7	9%	0.087	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.7	178.5	-166.5	168.5	-70	-163.4	4.7	111.2	I482 E486 E487 D488 G489 K518 F519 L520	I482-R545 PolarHBondContact O-NH1 3.33Å; E486-R545 PolarHBondContact O-NH1 3.14Å; E486-R545 PolarHBondContact O-NH2 3.27Å; E487-R545 VanDerWaalsContact O-CZ 3.31Å; E487-R545 PolarHBondContact O-NH1 2.99Å; E487-R545 PolarHBondContact O-NH2 2.64Å; D488-R545 IonicContact OD1-CZ 3.67Å; D488-R545 IonicContact OD1-NE 2.7Å; D488-R545 IonicContact OD1-NH2 2.72Å; D488-R545 PolarHBondContact OD1-NH2 2.82Å; G489-R545 WeakPolarHBondContact O-CD 3.18Å; G489-R545 WeakPolarHBondContact O-CG 3.28Å; K518-R545 PolarHBondContact O-N 3.3Å; F519-R545 WeakPolarHBondContact CA-O 3.38Å; F519-R545 HydrophobicContact CD1-CB 4.35Å; F519-R545 HydrophobicContact CE1-CB 4.37Å; L520-R545 PolarHBondContact N-O 3.29Å
546	K	95.4	Very high	86.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.6	176.3	-171.9	167.9	55.8	-176.1	0	110.8	A490 I491 L520 I522 V536 K538 T540 V548 D562	A490-K546 WeakPolarHBondContact CA-O 3.39Å; A490-K546 HydrophobicContact CB-CB 3.95Å; I491-K546 PolarHBondContact N-O 2.76Å; L520-K546 WeakPolarHBondContact O-CA 3.46Å; I522-K546 HydrophobicContact CD1-CD 4.1Å; I522-K546 HydrophobicContact CD1-CG 4.31Å; V536-K546 PolarHBondContact O-NZ 3.2Å; K538-K546 PolarHBondContact O-NZ 3.15Å; T540-K546 HydrophobicContact CG2-CB 3.85Å; K546-V548 HydrophobicContact CD-CG2 4.19Å; K546-V548 HydrophobicContact CG-CG2 3.92Å; K546-D562 WeakPolarHBondContact CE-OD1 3.4Å; K546-D562 WeakPolarHBondContact CE-OD2 3.45Å; K546-D562 IonicContact NZ-OD1 2.71Å; K546-D562 PolarHBondContact NZ-OD1 3.45Å; K546-D562 IonicContact NZ-OD2 3.36Å; K546-D562 PolarHBondContact NZ-OD2 2.9Å
547	I	96.5	Very high	85.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.6	176.5	-54.8	176.6	0	0	0	107.6	I479 I491 F514 F519 L520 I521 I522 I549	I479-I547 HydrophobicContact CD1-CG2 4.46Å; I479-I547 HydrophobicContact CG2-CD1 3.86Å; I491-I547 HydrophobicContact CB-CG1 4.46Å; I491-I547 HydrophobicContact CB-CG2 4.44Å; I491-I547 HydrophobicContact CD1-CG1 4.35Å; I491-I547 CarbonylContact O-C 3.56Å; I491-I547 WeakPolarHBondContact O-CA 3.33Å; F514-I547 HydrophobicContact CD1-CD1 4.22Å; F514-I547 HydrophobicContact CE1-CD1 4.08Å; F519-I547 HydrophobicContact CD1-CD1 4.11Å; L520-I547 PolarHBondContact O-N 3.06Å; I521-I547 CarbonylContact C-O 3.54Å; I521-I547 VanDerWaalsContact CA-O 3.3Å; I521-I547 WeakPolarHBondContact CA-O 3.4Å; I521-I547 HydrophobicContact CD1-CD1 4.42Å; I521-I547 HydrophobicContact CG1-CB 4.28Å; I521-I547 HydrophobicContact CG1-CD1 4.35Å; I522-I547 PolarHBondContact N-O 2.93Å; I547-I549 HydrophobicContact CG2-CG1 4.44Å
548	V	94.3	Very high	85.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.3	-178	-173.5	0	0	0	0	109	I491 L492 V493 I522 L524 V536 K546 A550 I560	I491-V548 PolarHBondContact O-N 3.47Å; L492-V548 HydrophobicContact CD1-CB 3.91Å; L492-V548 HydrophobicContact CD1-CG1 3.92Å; V493-V548 PolarHBondContact N-O 3.48Å; I522-V548 CarbonylContact O-C 3.57Å; I522-V548 WeakPolarHBondContact O-CA 3.34Å; L524-V548 HydrophobicContact CB-CG1 4.03Å; L524-V548 HydrophobicContact CD2-CG1 3.99Å; V536-V548 HydrophobicContact CG2-CB 4.26Å; V536-V548 HydrophobicContact CG2-CG1 3.63Å; V536-V548 HydrophobicContact CG2-CG2 3.56Å; K546-V548 HydrophobicContact CD-CG2 4.19Å; K546-V548 HydrophobicContact CG-CG2 3.92Å; V548-A550 HydrophobicContact CG1-CB 4.48Å; V548-I560 HydrophobicContact CB-CD1 4.36Å; V548-I560 HydrophobicContact CG1-CD1 3.97Å; V548-I560 HydrophobicContact CG2-CD1 4.23Å
549	I	93.7	Very high	84.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	100.5	-177.8	-48.7	173.3	0	0	0	108.3	V493 L495 I501 L504 H505 L508 I521 I522 P523 L524 I547	V493-I549 HydrophobicContact CB-CG2 4.48Å; L495-I549 HydrophobicContact CD1-CG2 3.6Å; L495-I549 HydrophobicContact CG-CG2 4.47Å; I501-I549 HydrophobicContact CB-CG2 4.2Å; I501-I549 HydrophobicContact CG1-CG2 4.08Å; I501-I549 HydrophobicContact CG2-CB 4.23Å; I501-I549 HydrophobicContact CG2-CG2 3.92Å; L504-I549 HydrophobicContact CD2-CD1 4.23Å; L504-I549 HydrophobicContact CD2-CG1 4.43Å; L504-I549 HydrophobicContact CD2-CG2 3.92Å; L504-I549 HydrophobicContact CG-CD1 4.16Å; H505-I549 HydrophobicContact CB-CD1 4.13Å; L508-I549 HydrophobicContact CD1-CD1 3.89Å; I521-I549 HydrophobicContact CG2-CD1 3.77Å; I521-I549 HydrophobicContact CG2-CG1 4.35Å; I522-I549 PolarHBondContact O-N 2.82Å; P523-I549 CarbonylContact C-O 3.52Å; P523-I549 WeakPolarHBondContact CA-O 3.27Å; L524-I549 PolarHBondContact N-O 3.07Å; I547-I549 HydrophobicContact CG2-CG1 4.44Å
550	A	91.3	Very high	84.8	Confident	0 Å²	0	25 Å²	25	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	160.7	-164.2	0	0	0	0	0	114.1	L492 V493 F494 L495 L524 V548 A554	L492-A550 HydrophobicContact CD1-CB 3.88Å; V493-A550 PolarHBondContact O-N 2.79Å; F494-A550 CarbonylContact C-O 3.58Å; F494-A550 WeakPolarHBondContact CA-O 3.32Å; L495-A550 PolarHBondContact N-O 3.36Å; L524-A550 HydrophobicContact CB-CB 4.02Å; L524-A550 HydrophobicContact CD2-CB 4.08Å; L524-A550 HydrophobicContact CG-CB 4.35Å; L524-A550 VanDerWaalsContact O-CA 3.28Å; L524-A550 WeakPolarHBondContact O-CA 3.45Å; V548-A550 HydrophobicContact CG1-CB 4.48Å; A550-A554 HydrophobicContact CB-CB 3.78Å
551	T	88.9	Confident	84.4	Confident	5 Å²	5	26.2 Å²	26.2	3%	0.031	17%	0.167	C	C	.	.			trans	-85.7	-173.8	156.4	73.6	0	0	0	0	110.9	F494 L495 I501 L524 I553 A554	F494-T551 WeakPolarHBondContact CD1-O 3.43Å; L495-T551 WeakPolarHBondContact O-CA 3.28Å; I501-T551 HydrophobicContact CD1-CG2 3.59Å; L524-T551 PolarHBondContact O-N 3.13Å; T551-I553 PolarHBondContact O-N 3.39Å; T551-I553 WeakPolarHBondContact OG1-CG2 2.99Å; T551-I553 PolarHBondContact OG1-N 3.18Å; T551-A554 PolarHBondContact O-N 3.32Å
552	N	87.1	Confident	84.4	Confident	53 Å²	53	23.1 Å²	23.1	28%	0.283	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-51	-8.1	166.4	68.8	-32.8	0	0	0	115.4	A554 E555 I572	N552-A554 PolarHBondContact O-N 3.38Å; N552-E555 HydrophobicContact CB-CB 4.49Å; N552-E555 WeakPolarHBondContact O-CB 3.43Å; N552-E555 PolarHBondContact O-N 3.21Å; N552-I572 HydrophobicContact CB-CD1 3.73Å; N552-I572 HydrophobicContact CB-CG1 4.4Å
553	I	80.3	Confident	84.7	Confident	4 Å²	4	16.8 Å²	16.8	2%	0.021	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.7	171.2	-166.4	168.7	0	0	0	113.4	I267 L524 T551 E555 I558	I267-I553 HydrophobicContact CG2-CD1 4.22Å; L524-I553 HydrophobicContact CD2-CG2 4.38Å; L524-I553 HydrophobicContact CG-CG2 4.03Å; T551-I553 PolarHBondContact O-N 3.39Å; T551-I553 WeakPolarHBondContact OG1-CG2 2.99Å; T551-I553 PolarHBondContact OG1-N 3.18Å; I553-E555 VanDerWaalsContact C-N 3.32Å; I553-I558 HydrophobicContact CD1-CD1 3.93Å; I553-I558 HydrophobicContact CG1-CD1 3.7Å; I553-I558 HydrophobicContact CG1-CG1 4.23Å; I553-I558 HydrophobicContact CG2-CD1 4.45Å
554	A	86	Confident	85.1	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.008	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-84.2	-2.4	175.7	0	0	0	0	0	114.1	L492 F494 L524 A550 T551 N552 R602	L492-A554 HydrophobicContact CD1-CB 3.99Å; L492-A554 HydrophobicContact CD2-CB 4.12Å; F494-A554 HydrophobicContact CE1-CB 3.78Å; F494-A554 HydrophobicContact CZ-CB 3.95Å; L524-A554 HydrophobicContact CD2-CB 4.36Å; A550-A554 HydrophobicContact CB-CB 3.78Å; T551-A554 PolarHBondContact O-N 3.32Å; N552-A554 PolarHBondContact O-N 3.38Å; A554-R602 VanDerWaalsContact O-CD 3.31Å; A554-R602 WeakPolarHBondContact O-CD 3.44Å; A554-R602 PolarHBondContact O-NE 3.31Å; A554-R602 PolarHBondContact O-NH1 2.84Å
555	E	82.3	Confident	85.3	Confident	6 Å²	6	13 Å²	13	3%	0.028	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-36.5	-170.5	-161.5	175.3	115.9	0	0	113.3	F494 N552 I553 N595 Q598 R599 R602	F494-E555 HydrophobicContact CE1-CB 3.97Å; F494-E555 HydrophobicContact CZ-CB 4.43Å; N552-E555 HydrophobicContact CB-CB 4.49Å; N552-E555 WeakPolarHBondContact O-CB 3.43Å; N552-E555 PolarHBondContact O-N 3.21Å; I553-E555 VanDerWaalsContact C-N 3.32Å; E555-N595 VanDerWaalsContact OE1-CA 3.24Å; E555-N595 WeakPolarHBondContact OE1-CA 3.37Å; E555-N595 WeakPolarHBondContact OE1-CB 3.49Å; E555-N595 PolarHBondContact OE1-ND2 3.11Å; E555-Q598 HydrophobicContact CG-CB 3.78Å; E555-R599 HydrophobicContact CG-CG 3.94Å; E555-R599 IonicContact OE2-CZ 3.09Å; E555-R599 VanDerWaalsContact OE2-CZ 3.27Å; E555-R599 IonicContact OE2-NE 2.7Å; E555-R599 PolarHBondContact OE2-NE 2.83Å; E555-R599 IonicContact OE2-NH2 3.36Å; E555-R599 PolarHBondContact OE2-NH2 3.06Å; E555-R602 VanDerWaalsContact C-NH2 3.27Å; E555-R602 PolarHBondContact O-NE 3.01Å; E555-R602 PolarHBondContact O-NH2 3.37Å
556	T	67.8	Low	85.4	Confident	11 Å²	11	11.9 Å²	11.9	7%	0.067	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-66.4	176	52.4	0	0	0	0	110.9	R265 E335 E338 I558 R602	R265-T556 PolarHBondContact NH1-OG1 2.93Å; E335-T556 WeakPolarHBondContact OE2-CB 3.37Å; E338-T556 HydrophobicContact CG-CG2 4.22Å; E338-T556 VanDerWaalsContact OE1-CB 3.26Å; E338-T556 WeakPolarHBondContact OE1-CB 3.2Å; E338-T556 WeakPolarHBondContact OE1-CG2 3.47Å; E338-T556 PolarHBondContact OE1-OG1 2.89Å; T556-I558 PolarHBondContact O-N 3.43Å; T556-R602 VanDerWaalsContact C-NH2 3.27Å; T556-R602 PolarHBondContact O-NH1 2.95Å; T556-R602 PolarHBondContact O-NH2 3.03Å
557	S	59.7	Low	85.6	Confident	10 Å²	10	11.9 Å²	11.9	7%	0.07	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-18.7	-159	-83.8	0	0	0	0	117.7	R265 S268	R265-S557 PolarHBondContact NH1-OG 2.92Å; S268-S557 WeakPolarHBondContact OG-CB 3.32Å; S268-S557 PolarHBondContact OG-OG 3.27Å
558	I	69.5	Low	85.7	Confident	2 Å²	2	11.9 Å²	11.9	1%	0.01	7%	0.067	C	C	.	.			trans	-117.3	115.8	-178.2	-63.6	-176.1	0	0	0	109.9	I267 L524 V536 F537 I553 T556 I560 R602	I267-I558 HydrophobicContact CG1-CD1 4.25Å; I267-I558 HydrophobicContact CG1-CG1 4.42Å; I267-I558 HydrophobicContact CG2-CD1 4.04Å; I267-I558 HydrophobicContact CG2-CG1 4.03Å; L524-I558 HydrophobicContact CD1-CD1 4.02Å; L524-I558 HydrophobicContact CD2-CD1 4Å; L524-I558 HydrophobicContact CD2-CG2 4.33Å; L524-I558 HydrophobicContact CG-CD1 4.34Å; V536-I558 HydrophobicContact CG1-CG2 4.17Å; F537-I558 HydrophobicContact CE1-CG2 3.6Å; F537-I558 HydrophobicContact CZ-CG2 3.8Å; I553-I558 HydrophobicContact CD1-CD1 3.93Å; I553-I558 HydrophobicContact CG1-CD1 3.7Å; I553-I558 HydrophobicContact CG1-CG1 4.23Å; I553-I558 HydrophobicContact CG2-CD1 4.45Å; T556-I558 PolarHBondContact O-N 3.43Å; I558-I560 HydrophobicContact CG2-CD1 4.41Å; I558-I560 HydrophobicContact CG2-CG1 3.94Å; I558-R602 PolarHBondContact O-NH1 3.28Å
559	T	68.3	Low	85.8	Confident	62 Å²	62	12 Å²	12	38%	0.38	7%	0.068	S	C	.	.			trans	-93.1	107.4	177.4	-80	0	0	0	0	110.1	F537 D561 R605	F537-T559 WeakPolarHBondContact CD1-O 3.38Å; F537-T559 WeakPolarHBondContact CE1-O 3.36Å; T559-D561 WeakPolarHBondContact CG2-OD1 3.4Å; T559-R605 VanDerWaalsContact CB-NH1 3.29Å; T559-R605 PolarHBondContact OG1-NH1 3.31Å
560	I	81.6	Confident	85.9	Confident	4 Å²	4	12 Å²	12	2%	0.021	7%	0.068	C	C	.	.			trans	-105.2	110.2	172.7	-50.9	168.2	0	0	0	105.9	L492 L524 V536 V548 I558 D562 V563	L492-I560 HydrophobicContact CD1-CD1 4.16Å; L524-I560 HydrophobicContact CD2-CD1 4.43Å; V536-I560 HydrophobicContact CG1-CD1 4.47Å; V536-I560 HydrophobicContact CG1-CG1 4.21Å; V536-I560 HydrophobicContact CG2-CD1 3.7Å; V536-I560 HydrophobicContact CG2-CG1 4.14Å; V548-I560 HydrophobicContact CB-CD1 4.36Å; V548-I560 HydrophobicContact CG1-CD1 3.97Å; V548-I560 HydrophobicContact CG2-CD1 4.23Å; I558-I560 HydrophobicContact CG2-CD1 4.41Å; I558-I560 HydrophobicContact CG2-CG1 3.94Å; I560-D562 WeakPolarHBondContact CG2-OD1 3.46Å; I560-V563 HydrophobicContact CB-CG2 3.75Å; I560-V563 HydrophobicContact CG2-CG2 3.66Å
561	D	76.3	Confident	86	Confident	61 Å²	61	12.5 Å²	12.5	33%	0.326	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-30.8	-165.5	-68.8	-28.6	0	0	0	114	T559 V563 V606	T559-D561 WeakPolarHBondContact CG2-OD1 3.4Å; D561-V563 VanDerWaalsContact C-N 3.35Å; D561-V563 PolarHBondContact O-N 2.99Å; D561-V606 WeakPolarHBondContact O-CG1 3.23Å; D561-V606 VanDerWaalsContact O-CG2 3.29Å; D561-V606 WeakPolarHBondContact O-CG2 3.25Å
562	D	88.6	Confident	86.1	Confident	22 Å²	22	12.5 Å²	12.5	12%	0.118	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	14.7	-173.2	55.4	-17.3	0	0	0	114.4	A490 R539 K546 I560	A490-D562 WeakPolarHBondContact CB-O 3.29Å; A490-D562 PolarHBondContact N-O 3.19Å; R539-D562 HydrophobicContact CG-CB 4.37Å; K546-D562 WeakPolarHBondContact CE-OD1 3.4Å; K546-D562 WeakPolarHBondContact CE-OD2 3.45Å; K546-D562 IonicContact NZ-OD1 2.71Å; K546-D562 PolarHBondContact NZ-OD1 3.45Å; K546-D562 IonicContact NZ-OD2 3.36Å; K546-D562 PolarHBondContact NZ-OD2 2.9Å; I560-D562 WeakPolarHBondContact CG2-OD1 3.46Å
563	V	93.7	Very high	85.9	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.3	175.8	178.6	0	0	0	0	110.8	A490 L492 I560 D561 V566	A490-V563 HydrophobicContact CB-CG2 4.39Å; L492-V563 HydrophobicContact CB-CG1 3.73Å; L492-V563 HydrophobicContact CB-CG2 4.04Å; L492-V563 HydrophobicContact CD2-CG1 4.42Å; L492-V563 HydrophobicContact CD2-CG2 4.42Å; I560-V563 HydrophobicContact CB-CG2 3.75Å; I560-V563 HydrophobicContact CG2-CG2 3.66Å; D561-V563 VanDerWaalsContact C-N 3.35Å; D561-V563 PolarHBondContact O-N 2.99Å; V563-V566 HydrophobicContact CG1-CG2 3.85Å
564	V	96.5	Very high	85.8	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.024	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-29.7	177.4	-177.9	0	0	0	0	110.7	A490 A603 V606 Q607 G609 H610	A490-V564 PolarHBondContact O-N 3.19Å; A490-V564 VanDerWaalsContact O-N 3.09Å; V564-A603 WeakPolarHBondContact O-CB 3.22Å; V564-V606 HydrophobicContact CG2-CG2 4.4Å; V564-Q607 HydrophobicContact CG1-CG 4.31Å; V564-Q607 HydrophobicContact CG2-CG 4.06Å; V564-G609 CarbonylContact O-C 3.6Å; V564-G609 VanDerWaalsContact O-CA 3.27Å; V564-G609 WeakPolarHBondContact O-CA 3.29Å; V564-H610 PolarHBondContact O-N 2.71Å
565	Y	98.3	Very high	85.3	Confident	4 Å²	4	17.1 Å²	17.1	2%	0.016	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.7	-179.5	-54.8	-80.8	0	0	0	109.8	I482 E486 E487 A490 I491 L492 H610 Y612	I482-Y565 HydrophobicContact CG2-CD1 3.71Å; I482-Y565 HydrophobicContact CG2-CD2 3.73Å; I482-Y565 HydrophobicContact CG2-CE1 4.09Å; I482-Y565 HydrophobicContact CG2-CE2 4.12Å; I482-Y565 HydrophobicContact CG2-CG 3.55Å; E486-Y565 HydrophobicContact CB-CE1 3.72Å; E486-Y565 HydrophobicContact CG-CE1 4.18Å; E487-Y565 PolarHBondContact N-OH 3.46Å; E487-Y565 WeakPolarHBondContact O-CE2 3.49Å; E487-Y565 PolarHBondContact O-OH 3.37Å; E487-Y565 VanDerWaalsContact O-OH 3.07Å; A490-Y565 PolarHBondContact O-N 3.29Å; I491-Y565 CarbonylContact C-O 3.59Å; I491-Y565 WeakPolarHBondContact CA-O 3.22Å; I491-Y565 HydrophobicContact CG1-CD2 4.38Å; L492-Y565 PolarHBondContact N-O 3.08Å; Y565-H610 HydrophobicContact CD1-CB 4.01Å; Y565-H610 AromaticContact CD1-CD2 3.97Å; Y565-H610 HydrophobicContact CE1-CB 4.41Å; Y565-H610 AromaticContact CE1-CD2 3.51Å; Y565-Y612 HydrophobicContact CD1-CE2 4.24Å
566	V	98.3	Very high	85	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.7	172.9	172	0	0	0	0	109	L492 F494 V563 R599 R602 A603 H610 C611 Y612	L492-V566 HydrophobicContact CB-CG2 4.41Å; L492-V566 CarbonylContact O-C 3.34Å; L492-V566 WeakPolarHBondContact O-CA 3.34Å; F494-V566 HydrophobicContact CD2-CG1 3.89Å; F494-V566 HydrophobicContact CE2-CG1 3.88Å; V563-V566 HydrophobicContact CG1-CG2 3.85Å; V566-R599 HydrophobicContact CG1-CB 4.33Å; V566-R602 HydrophobicContact CG2-CB 3.9Å; V566-A603 HydrophobicContact CB-CB 4.38Å; V566-A603 HydrophobicContact CG2-CB 3.82Å; V566-H610 PolarHBondContact N-O 2.68Å; V566-C611 HydrophobicContact CB-CB 4.44Å; V566-C611 CarbonylContact O-C 3.58Å; V566-C611 WeakPolarHBondContact O-CA 3.39Å; V566-Y612 WeakPolarHBondContact O-CD2 3.32Å; V566-Y612 PolarHBondContact O-N 2.99Å
567	I	98.6	Very high	85.5	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107	169.6	-57.7	177	0	0	0	107	I475 L478 I479 I482 I491 L492 V493 F494 Y612 L614	I475-I567 HydrophobicContact CG1-CG2 4.27Å; I475-I567 HydrophobicContact CG2-CD1 4.45Å; I475-I567 HydrophobicContact CG2-CG2 4.37Å; L478-I567 HydrophobicContact CB-CD1 4.48Å; L478-I567 HydrophobicContact CD2-CD1 3.9Å; L478-I567 HydrophobicContact CD2-CG1 3.94Å; L478-I567 HydrophobicContact CD2-CG2 4Å; L478-I567 HydrophobicContact CG-CD1 3.92Å; L478-I567 HydrophobicContact CG-CG1 4.38Å; I479-I567 HydrophobicContact CD1-CD1 4.43Å; I479-I567 HydrophobicContact CG1-CD1 3.54Å; I482-I567 HydrophobicContact CD1-CD1 3.97Å; I482-I567 HydrophobicContact CD1-CG1 4.21Å; I491-I567 HydrophobicContact CG2-CD1 4.01Å; I491-I567 HydrophobicContact CG2-CG1 4.31Å; L492-I567 PolarHBondContact O-N 2.66Å; V493-I567 CarbonylContact C-O 3.54Å; V493-I567 WeakPolarHBondContact CA-O 3.45Å; V493-I567 HydrophobicContact CG1-CB 4.22Å; V493-I567 HydrophobicContact CG1-CG2 4.3Å; V493-I567 HydrophobicContact CG2-CB 4.35Å; V493-I567 HydrophobicContact CG2-CD1 4.3Å; F494-I567 PolarHBondContact N-O 2.73Å; I567-Y612 HydrophobicContact CG1-CD2 4.37Å; I567-L614 HydrophobicContact CG2-CD1 3.68Å
568	D	98.2	Very high	86.3	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.4	177.3	177.4	20.6	0	0	0	110	G570 R599 Y612 H613 L614	D568-G570 PolarHBondContact O-N 3.1Å; D568-G570 PolarHBondContact OD1-N 3.33Å; D568-R599 VanDerWaalsContact CG-CD 3.47Å; D568-R599 WeakPolarHBondContact OD1-CD 3.3Å; D568-R599 IonicContact OD1-CZ 3.14Å; D568-R599 IonicContact OD1-NE 3.35Å; D568-R599 IonicContact OD1-NH1 3.55Å; D568-R599 PolarHBondContact OD1-NH1 2.99Å; D568-Y612 PolarHBondContact N-O 2.96Å; D568-H613 IonicContact OD2-CE1 3.85Å; D568-H613 IonicContact OD2-ND1 3.72Å; D568-H613 PolarHBondContact OD2-ND1 2.92Å; D568-L614 PolarHBondContact O-N 2.73Å
569	G	97	Very high	86.7	Confident	2 Å²	2	21.3 Å²	21.3	2%	0.021	11%	0.112	C	C	.	.			trans	-64.9	0.5	174.7	0	0	0	0	0	114.7	F494 K571	F494-G569 WeakPolarHBondContact O-CA 3.44Å; F494-G569 PolarHBondContact O-N 3.44Å; F494-G569 VanDerWaalsContact O-N 3.07Å; G569-K571 PolarHBondContact O-N 3.27Å
570	G	96.1	Very high	87	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	73	-6.2	171.5	0	0	0	0	0	115.7	D568 W590 V591	D568-G570 PolarHBondContact O-N 3.1Å; D568-G570 PolarHBondContact OD1-N 3.33Å; G570-W590 VanDerWaalsContact O-CE3 3.31Å; G570-V591 WeakPolarHBondContact O-CG2 3.22Å; G570-V591 PolarHBondContact O-N 2.84Å
571	K	93.1	Very high	86.4	Confident	11 Å²	11	28.9 Å²	28.9	5%	0.048	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.2	-172.2	-65	-74.6	-168.8	172	0	111.7	D467 V470 P496 G569 E589 W590	D467-K571 VanDerWaalsContact O-CE 3.23Å; D467-K571 WeakPolarHBondContact O-CE 3.45Å; D467-K571 PolarHBondContact O-NZ 3.26Å; V470-K571 HydrophobicContact CG2-CB 3.99Å; V470-K571 HydrophobicContact CG2-CG 3.83Å; P496-K571 HydrophobicContact CG-CB 3.52Å; G569-K571 PolarHBondContact O-N 3.27Å; K571-E589 CarbonylContact C-O 2.87Å; K571-E589 WeakPolarHBondContact CA-O 3.35Å; K571-E589 WeakPolarHBondContact CD-O 3.23Å; K571-W590 HydrophobicContact CD-CD2 3.97Å; K571-W590 HydrophobicContact CD-CE3 3.85Å; K571-W590 HydrophobicContact CD-CG 4.45Å; K571-W590 HydrophobicContact CD-CZ3 4.14Å; K571-W590 HydrophobicContact CG-CE3 4.39Å; K571-W590 HydrophobicContact CG-CZ3 4.39Å
572	I	90.6	Very high	86.2	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.7	178.3	-174.3	159.7	0	0	0	109.1	N552 E574 A588 E589 V591	N552-I572 HydrophobicContact CB-CD1 3.73Å; N552-I572 HydrophobicContact CB-CG1 4.4Å; I572-E574 HydrophobicContact CG2-CG 4.34Å; I572-A588 CarbonylContact O-C 3.53Å; I572-A588 WeakPolarHBondContact O-CA 3.29Å; I572-E589 PolarHBondContact N-O 3.41Å; I572-E589 PolarHBondContact O-N 2.92Å; I572-V591 HydrophobicContact CB-CG1 4.16Å; I572-V591 HydrophobicContact CG2-CG1 4.16Å
573	K	82.3	Confident	85.2	Confident	93 Å²	93	28.2 Å²	28.2	40%	0.404	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.5	171.3	-82.5	-172.7	176.8	-158.7	0	110.8	P496 M586 S587	P496-K573 HydrophobicContact CB-CG 4.09Å; P496-K573 VanDerWaalsContact O-CG 3.29Å; P496-K573 WeakPolarHBondContact O-CG 3.37Å; K573-M586 HydrophobicContact CB-CG 4.38Å; K573-M586 HydrophobicContact CB-SD 4.44Å; K573-M586 HydrophobicContact CD-CG 4.36Å; K573-M586 HydrophobicContact CD-SD 4Å; K573-S587 VanDerWaalsContact CA-O 3.31Å; K573-S587 WeakPolarHBondContact CA-O 3.28Å
574	E	78.9	Confident	84	Confident	20 Å²	20	30.4 Å²	30.4	9%	0.093	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.3	173.1	-67.2	-164.3	-179.1	0	0	111.2	I572 H576 M586 S587 E589 Q627	I572-E574 HydrophobicContact CG2-CG 4.34Å; E574-H576 IonicContact OE2-CE1 3.13Å; E574-H576 PolarHBondContact OE2-CE1 3.3Å; E574-H576 VanDerWaalsContact OE2-CE1 3.27Å; E574-M586 VanDerWaalsContact O-CA 3.28Å; E574-M586 WeakPolarHBondContact O-CA 3.43Å; E574-S587 PolarHBondContact N-O 3Å; E574-S587 PolarHBondContact O-N 3.39Å; E574-S587 VanDerWaalsContact O-N 3.14Å; E574-E589 HydrophobicContact CB-CG 4.34Å; E574-Q627 PolarHBondContact OE1-NE2 3.3Å
575	T	75.1	Confident	82.6	Confident	41 Å²	41	31.4 Å²	31.4	25%	0.252	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.2	166	-53.4	0	0	0	0	108.7	S584 T585 R633	T575-S584 WeakPolarHBondContact CG2-OG 3.42Å; T575-T585 CarbonylContact C-O 3.48Å; T575-T585 WeakPolarHBondContact CA-O 3.31Å; T575-R633 WeakPolarHBondContact O-CD 3.38Å; T575-R633 WeakPolarHBondContact O-CG 3.5Å; T575-R633 PolarHBondContact O-NH1 3.45Å; T575-R633 VanDerWaalsContact O-NH1 3.15Å
576	H	76.9	Confident	81.2	Confident	18 Å²	18	37 Å²	37	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.2	174.3	-56.6	-62.6	0	0	0	110.9	E574 T585 S587 E589 R633	E574-H576 IonicContact OE2-CE1 3.13Å; E574-H576 PolarHBondContact OE2-CE1 3.3Å; E574-H576 VanDerWaalsContact OE2-CE1 3.27Å; H576-T585 PolarHBondContact N-O 3.29Å; H576-T585 PolarHBondContact O-N 3.13Å; H576-T585 PolarHBondContact O-OG1 3.21Å; H576-S587 PolarHBondContact CD2-OG 3.44Å; H576-E589 VanDerWaalsContact NE2-CG 3.29Å; H576-E589 WeakPolarHBondContact NE2-CG 3.21Å; H576-E589 IonicContact NE2-OE1 2.8Å; H576-R633 CarbonylContact C-O 3.54Å; H576-R633 WeakPolarHBondContact CA-O 3.4Å
577	F	77.8	Confident	80	Confident	27 Å²	27	37.7 Å²	37.7	12%	0.118	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116	174.4	-174.1	-132.4	0	0	0	111.4	T579 N582 R633 P635 A666 L669	F577-T579 HydrophobicContact CD1-CG2 3.84Å; F577-T579 HydrophobicContact CE1-CG2 3.79Å; F577-N582 VanDerWaalsContact CE2-OD1 3.28Å; F577-N582 WeakPolarHBondContact CE2-OD1 3.32Å; F577-N582 WeakPolarHBondContact CZ-OD1 3.39Å; F577-R633 WeakPolarHBondContact CB-O 3.2Å; F577-R633 PolarHBondContact N-O 3.47Å; F577-P635 HydrophobicContact CB-CG 4.5Å; F577-P635 HydrophobicContact CD2-CG 3.83Å; F577-P635 HydrophobicContact CE2-CG 4.16Å; F577-P635 HydrophobicContact CG-CG 4.11Å; F577-A666 HydrophobicContact CD1-CB 4.36Å; F577-A666 HydrophobicContact CE1-CB 4.19Å; F577-L669 HydrophobicContact CE1-CD1 4.34Å; F577-L669 HydrophobicContact CZ-CD1 4.2Å
578	D	76	Confident	79.1	Confident	28 Å²	28	39.5 Å²	39.5	15%	0.15	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	103.4	169.9	175.3	-11.7	0	0	0	108.9	V427 Q580 N581 N582 I583	V427-D578 HydrophobicContact CG1-CB 4.4Å; D578-Q580 VanDerWaalsContact C-N 3.3Å; D578-Q580 PolarHBondContact O-N 2.69Å; D578-Q580 WeakPolarHBondContact OD1-CA 3.31Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.23Å; D578-Q580 PolarHBondContact OD1-N 3.22Å; D578-N581 PolarHBondContact OD1-N 3.26Å; D578-N581 PolarHBondContact OD1-ND2 3.49Å; D578-N581 WeakPolarHBondContact OD2-CB 3.34Å; D578-N581 PolarHBondContact OD2-ND2 3.45Å; D578-N582 WeakPolarHBondContact O-CA 3.14Å; D578-N582 PolarHBondContact O-N 2.86Å; D578-I583 HydrophobicContact CB-CB 4.4Å; D578-I583 PolarHBondContact N-O 3.49Å; D578-I583 PolarHBondContact O-N 3.19Å
579	T	77.7	Confident	78.6	Confident	45 Å²	45	40.3 Å²	40.3	28%	0.276	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.7	179.4	53.3	0	0	0	0	113.4	F577 E665 A666 L669	F577-T579 HydrophobicContact CD1-CG2 3.84Å; F577-T579 HydrophobicContact CE1-CG2 3.79Å; T579-E665 HydrophobicContact CG2-CB 4.49Å; T579-A666 HydrophobicContact CG2-CB 3.89Å; T579-L669 HydrophobicContact CG2-CD1 4.25Å; T579-L669 WeakPolarHBondContact O-CD1 3.24Å
580	Q	75.2	Confident	78.5	Confident	178 Å²	178	42.2 Å²	42.2	83%	0.832	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-41.5	-179.1	-62.2	-174.2	6	0	0	111.6	D578	D578-Q580 VanDerWaalsContact C-N 3.3Å; D578-Q580 PolarHBondContact O-N 2.69Å; D578-Q580 WeakPolarHBondContact OD1-CA 3.31Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.23Å; D578-Q580 PolarHBondContact OD1-N 3.22Å
581	N	69.1	Low	78.4	Confident	46 Å²	46	42.3 Å²	42.3	25%	0.246	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.2	-179.4	-59.2	-94.4	0	0	0	112.8	D578 I583 K891 R893	D578-N581 PolarHBondContact OD1-N 3.26Å; D578-N581 PolarHBondContact OD1-ND2 3.49Å; D578-N581 WeakPolarHBondContact OD2-CB 3.34Å; D578-N581 PolarHBondContact OD2-ND2 3.45Å; N581-I583 HydrophobicContact CB-CD1 3.73Å; N581-I583 HydrophobicContact CB-CG1 3.63Å; N581-I583 VanDerWaalsContact O-CG1 3.25Å; N581-I583 WeakPolarHBondContact O-CG1 3.38Å; N581-K891 PolarHBondContact O-NZ 2.98Å; N581-R893 PolarHBondContact ND2-NH1 3.38Å; N581-R893 PolarHBondContact OD1-NH1 3.15Å
582	N	72.3	Confident	78.5	Confident	67 Å²	67	42 Å²	42	36%	0.358	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	60.6	-171.3	-165.6	18.7	0	0	0	111.4	F577 D578	F577-N582 VanDerWaalsContact CE2-OD1 3.28Å; F577-N582 WeakPolarHBondContact CE2-OD1 3.32Å; F577-N582 WeakPolarHBondContact CZ-OD1 3.39Å; D578-N582 WeakPolarHBondContact O-CA 3.14Å; D578-N582 PolarHBondContact O-N 2.86Å
583	I	68.5	Low	78.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.4	-177.6	-43.9	-167.2	0	0	0	109.8	D578 N581 T585 K891	D578-I583 HydrophobicContact CB-CB 4.4Å; D578-I583 PolarHBondContact N-O 3.49Å; D578-I583 PolarHBondContact O-N 3.19Å; N581-I583 HydrophobicContact CB-CD1 3.73Å; N581-I583 HydrophobicContact CB-CG1 3.63Å; N581-I583 VanDerWaalsContact O-CG1 3.25Å; N581-I583 WeakPolarHBondContact O-CG1 3.38Å; I583-T585 HydrophobicContact CG2-CG2 3.66Å; I583-K891 WeakPolarHBondContact CG2-O 3.46Å
584	S	68.3	Low	78.9	Confident	47 Å²	47	42.1 Å²	42.1	33%	0.329	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.7	161.7	-172.6	0	0	0	0	109	T575	T575-S584 WeakPolarHBondContact CG2-OG 3.42Å
585	T	67.1	Low	79.5	Confident	25 Å²	25	41.6 Å²	41.6	15%	0.153	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.8	177.5	59.1	0	0	0	0	110	V427 T575 H576 I583	V427-T585 HydrophobicContact CG2-CG2 3.94Å; T575-T585 CarbonylContact C-O 3.48Å; T575-T585 WeakPolarHBondContact CA-O 3.31Å; H576-T585 PolarHBondContact N-O 3.29Å; H576-T585 PolarHBondContact O-N 3.13Å; H576-T585 PolarHBondContact O-OG1 3.21Å; I583-T585 HydrophobicContact CG2-CG2 3.66Å
586	M	67.8	Low	80.4	Confident	122 Å²	122	40 Å²	40	60%	0.601	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.2	173.4	178.8	-178.6	48.9	0	0	109.4	K573 E574	K573-M586 HydrophobicContact CB-CG 4.38Å; K573-M586 HydrophobicContact CB-SD 4.44Å; K573-M586 HydrophobicContact CD-CG 4.36Å; K573-M586 HydrophobicContact CD-SD 4Å; E574-M586 VanDerWaalsContact O-CA 3.28Å; E574-M586 WeakPolarHBondContact O-CA 3.43Å
587	S	73	Confident	81	Confident	14 Å²	14	44.1 Å²	44.1	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	163.6	-178.5	48.9	0	0	0	0	111.8	K573 E574 H576 E589	K573-S587 VanDerWaalsContact CA-O 3.31Å; K573-S587 WeakPolarHBondContact CA-O 3.28Å; E574-S587 PolarHBondContact N-O 3Å; E574-S587 PolarHBondContact O-N 3.39Å; E574-S587 VanDerWaalsContact O-N 3.14Å; H576-S587 PolarHBondContact CD2-OG 3.44Å; S587-E589 WeakPolarHBondContact CB-OE1 3.28Å; S587-E589 PolarHBondContact OG-OE1 2.99Å
588	A	79.6	Confident	81.5	Confident	38 Å²	38	43.7 Å²	43.7	31%	0.314	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	106.6	169.9	0	0	0	0	0	108.9	P496 I572	P496-A588 HydrophobicContact CB-CB 4.2Å; P496-A588 HydrophobicContact CG-CB 4.43Å; I572-A588 CarbonylContact O-C 3.53Å; I572-A588 WeakPolarHBondContact O-CA 3.29Å
589	E	88.1	Confident	82.3	Confident	17 Å²	17	42.5 Å²	42.5	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	165.8	180	-62.9	-52.5	137.4	0	0	111.5	K432 K571 I572 E574 H576 S587	K432-E589 WeakPolarHBondContact CD-OE2 3.38Å; K432-E589 WeakPolarHBondContact CE-OE2 3.4Å; K432-E589 IonicContact NZ-OE1 2.67Å; K432-E589 PolarHBondContact NZ-OE1 3.42Å; K432-E589 IonicContact NZ-OE2 2.71Å; K432-E589 PolarHBondContact NZ-OE2 3.22Å; K571-E589 CarbonylContact C-O 2.87Å; K571-E589 WeakPolarHBondContact CA-O 3.35Å; K571-E589 WeakPolarHBondContact CD-O 3.23Å; I572-E589 PolarHBondContact N-O 3.41Å; I572-E589 PolarHBondContact O-N 2.92Å; E574-E589 HydrophobicContact CB-CG 4.34Å; H576-E589 VanDerWaalsContact NE2-CG 3.29Å; H576-E589 WeakPolarHBondContact NE2-CG 3.21Å; H576-E589 IonicContact NE2-OE1 2.8Å; S587-E589 WeakPolarHBondContact CB-OE1 3.28Å; S587-E589 PolarHBondContact OG-OE1 2.99Å
590	W	94.4	Very high	83	Confident	42 Å²	42	43 Å²	43	16%	0.159	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	145.9	171	-68	109.6	0	0	0	110.7	D467 G570 K571 R619 L623	D467-W590 HydrophobicContact CB-CZ2 4.01Å; D467-W590 VanDerWaalsContact O-CZ2 3.31Å; D467-W590 WeakPolarHBondContact O-CZ2 3.38Å; G570-W590 VanDerWaalsContact O-CE3 3.31Å; K571-W590 HydrophobicContact CD-CD2 3.97Å; K571-W590 HydrophobicContact CD-CE3 3.85Å; K571-W590 HydrophobicContact CD-CG 4.45Å; K571-W590 HydrophobicContact CD-CZ3 4.14Å; K571-W590 HydrophobicContact CG-CE3 4.39Å; K571-W590 HydrophobicContact CG-CZ3 4.39Å; W590-R619 HydrophobicContact CD2-CG 4.07Å; W590-R619 HydrophobicContact CE3-CG 4.14Å; W590-R619 HydrophobicContact CH2-CG 4.24Å; W590-R619 HydrophobicContact CZ2-CG 4.13Å; W590-R619 HydrophobicContact CZ3-CG 4.25Å; W590-R619 VanDerWaalsContact NE1-CZ 3.32Å; W590-L623 HydrophobicContact CB-CD2 3.9Å; W590-L623 HydrophobicContact CG-CD2 4.43Å
591	V	95.3	Very high	83.7	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67.9	153.3	174.5	-66.8	0	0	0	0	112.2	G570 I572 N595 Y615 L623	G570-V591 WeakPolarHBondContact O-CG2 3.22Å; G570-V591 PolarHBondContact O-N 2.84Å; I572-V591 HydrophobicContact CB-CG1 4.16Å; I572-V591 HydrophobicContact CG2-CG1 4.16Å; V591-N595 HydrophobicContact CB-CB 4Å; V591-N595 HydrophobicContact CG1-CB 4.41Å; V591-Y615 HydrophobicContact CG2-CE1 3.94Å; V591-L623 HydrophobicContact CG2-CD1 4.33Å; V591-L623 WeakPolarHBondContact O-CD2 3.4Å
592	S	93.8	Very high	84.7	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.028	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-77.6	162.1	166.9	71.6	0	0	0	0	111.8	A594 N595 A596 D624	S592-A594 PolarHBondContact O-N 3.08Å; S592-N595 WeakPolarHBondContact CB-OD1 3.38Å; S592-N595 PolarHBondContact N-OD1 3.14Å; S592-N595 WeakPolarHBondContact O-CB 3.43Å; S592-N595 PolarHBondContact O-N 3.28Å; S592-N595 VanDerWaalsContact O-N 3.1Å; S592-N595 PolarHBondContact OG-N 2.68Å; S592-N595 PolarHBondContact OG-OD1 3.24Å; S592-A596 PolarHBondContact O-N 3.48Å; S592-D624 CarbonylContact C-O 3.2Å; S592-D624 WeakPolarHBondContact CA-O 3.17Å; S592-D624 VanDerWaalsContact CB-O 3.24Å; S592-D624 WeakPolarHBondContact CB-O 3.37Å
593	K	93.6	Very high	85.7	Confident	84 Å²	84	30 Å²	30	37%	0.365	16%	0.159	S	C	.	.	H	α-helix	trans	-59.8	-34.9	172.6	-59.3	-177.8	-164.7	136.4	0	111.6	A596 K597 L623 D624 D625	K593-A596 PolarHBondContact O-N 2.8Å; K593-K597 WeakPolarHBondContact O-CB 3.07Å; K593-K597 PolarHBondContact O-N 3Å; K593-L623 WeakPolarHBondContact CE-O 3.32Å; K593-L623 HydrophobicContact CG-CB 3.93Å; K593-L623 PolarHBondContact NZ-O 3.43Å; K593-D624 PolarHBondContact N-O 3.36Å; K593-D625 WeakPolarHBondContact CD-OD1 3.41Å; K593-D625 IonicContact NZ-OD1 3.38Å; K593-D625 PolarHBondContact NZ-OD1 2.73Å
594	A	88.8	Confident	86.6	Confident	18 Å²	18	29.9 Å²	29.9	15%	0.149	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-46.8	172.2	0	0	0	0	0	111.9	S592 K597 Q598 D625 Y626	S592-A594 PolarHBondContact O-N 3.08Å; A594-K597 PolarHBondContact O-N 3.22Å; A594-Q598 WeakPolarHBondContact O-CG 3.5Å; A594-Q598 PolarHBondContact O-N 2.69Å; A594-D625 VanDerWaalsContact CB-O 3.25Å; A594-D625 WeakPolarHBondContact CB-O 3.43Å; A594-D625 PolarHBondContact N-O 2.72Å; A594-Y626 HydrophobicContact CB-CD1 3.63Å; A594-Y626 HydrophobicContact CB-CE1 3.87Å; A594-Y626 HydrophobicContact CB-CG 4.5Å
595	N	91.1	Very high	87.3	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-47.4	176.2	-56.3	120.5	0	0	0	111.1	E555 V591 S592 K597 Q598 R599 Q627	E555-N595 VanDerWaalsContact OE1-CA 3.24Å; E555-N595 WeakPolarHBondContact OE1-CA 3.37Å; E555-N595 WeakPolarHBondContact OE1-CB 3.49Å; E555-N595 PolarHBondContact OE1-ND2 3.11Å; V591-N595 HydrophobicContact CB-CB 4Å; V591-N595 HydrophobicContact CG1-CB 4.41Å; S592-N595 WeakPolarHBondContact CB-OD1 3.38Å; S592-N595 PolarHBondContact N-OD1 3.14Å; S592-N595 WeakPolarHBondContact O-CB 3.43Å; S592-N595 PolarHBondContact O-N 3.28Å; S592-N595 VanDerWaalsContact O-N 3.1Å; S592-N595 PolarHBondContact OG-N 2.68Å; S592-N595 PolarHBondContact OG-OD1 3.24Å; N595-K597 VanDerWaalsContact C-N 3.33Å; N595-K597 PolarHBondContact O-N 2.83Å; N595-Q598 PolarHBondContact O-N 2.7Å; N595-Q598 VanDerWaalsContact O-N 3.1Å; N595-R599 WeakPolarHBondContact O-CG 3.5Å; N595-R599 PolarHBondContact O-N 3.23Å; N595-Q627 PolarHBondContact ND2-OE1 3.18Å; N595-Q627 VanDerWaalsContact OD1-CD 3.22Å; N595-Q627 WeakPolarHBondContact OD1-CG 3.29Å; N595-Q627 PolarHBondContact OD1-OE1 2.74Å
596	A	93.9	Very high	88	Confident	7 Å²	7	31.1 Å²	31.1	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-45.1	178.5	0	0	0	0	0	111.9	S592 K593 Q598 R599 K600 Y615	S592-A596 PolarHBondContact O-N 3.48Å; K593-A596 PolarHBondContact O-N 2.8Å; A596-Q598 PolarHBondContact O-N 3.05Å; A596-R599 PolarHBondContact O-N 3.27Å; A596-K600 WeakPolarHBondContact O-CB 3.37Å; A596-K600 PolarHBondContact O-N 3.4Å; A596-Y615 VanDerWaalsContact CB-OH 3.23Å; A596-Y615 WeakPolarHBondContact CB-OH 3.38Å
597	K	90.1	Very high	89	Confident	105 Å²	105	28.8 Å²	28.8	46%	0.457	15%	0.147	S	C	.	.	H	α-helix	trans	-62.2	-39.4	175.2	-172.5	179	176.3	-174.2	0	112.2	E231 K593 A594 N595 G601	E231-K597 VanDerWaalsContact OE1-CE 3.23Å; E231-K597 WeakPolarHBondContact OE1-CE 3.47Å; E231-K597 IonicContact OE1-NZ 2.64Å; E231-K597 PolarHBondContact OE1-NZ 2.72Å; K593-K597 WeakPolarHBondContact O-CB 3.07Å; K593-K597 PolarHBondContact O-N 3Å; A594-K597 PolarHBondContact O-N 3.22Å; N595-K597 VanDerWaalsContact C-N 3.33Å; N595-K597 PolarHBondContact O-N 2.83Å; K597-G601 PolarHBondContact O-N 2.89Å
598	Q	88.1	Confident	90	Very high	18 Å²	18	31.5 Å²	31.5	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-40	175.5	-71.7	-172.9	3.8	0	0	112.5	H337 E555 A594 N595 A596 G601 R602	H337-Q598 PolarHBondContact CD2-NE2 3Å; H337-Q598 VanDerWaalsContact CD2-NE2 3.32Å; H337-Q598 PolarHBondContact NE2-NE2 2.71Å; E555-Q598 HydrophobicContact CG-CB 3.78Å; A594-Q598 WeakPolarHBondContact O-CG 3.5Å; A594-Q598 PolarHBondContact O-N 2.69Å; N595-Q598 PolarHBondContact O-N 2.7Å; N595-Q598 VanDerWaalsContact O-N 3.1Å; A596-Q598 PolarHBondContact O-N 3.05Å; Q598-G601 PolarHBondContact O-N 3.06Å; Q598-R602 PolarHBondContact O-N 3.01Å
599	R	92.9	Very high	90.8	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-48.5	174.3	-68	177.7	-172	-165.4	1.4	111.1	F494 E555 V566 D568 N595 A596 G601 R602	F494-R599 HydrophobicContact CD1-CG 4.25Å; F494-R599 HydrophobicContact CD2-CB 4.15Å; F494-R599 HydrophobicContact CD2-CG 3.78Å; F494-R599 HydrophobicContact CE1-CG 4.17Å; F494-R599 HydrophobicContact CE2-CB 3.94Å; F494-R599 HydrophobicContact CE2-CG 3.7Å; F494-R599 HydrophobicContact CG-CG 4.06Å; F494-R599 HydrophobicContact CZ-CB 4.49Å; F494-R599 HydrophobicContact CZ-CG 3.91Å; E555-R599 HydrophobicContact CG-CG 3.94Å; E555-R599 IonicContact OE2-CZ 3.09Å; E555-R599 VanDerWaalsContact OE2-CZ 3.27Å; E555-R599 IonicContact OE2-NE 2.7Å; E555-R599 PolarHBondContact OE2-NE 2.83Å; E555-R599 IonicContact OE2-NH2 3.36Å; E555-R599 PolarHBondContact OE2-NH2 3.06Å; V566-R599 HydrophobicContact CG1-CB 4.33Å; D568-R599 VanDerWaalsContact CG-CD 3.47Å; D568-R599 WeakPolarHBondContact OD1-CD 3.3Å; D568-R599 IonicContact OD1-CZ 3.14Å; D568-R599 IonicContact OD1-NE 3.35Å; D568-R599 IonicContact OD1-NH1 3.55Å; D568-R599 PolarHBondContact OD1-NH1 2.99Å; N595-R599 WeakPolarHBondContact O-CG 3.5Å; N595-R599 PolarHBondContact O-N 3.23Å; A596-R599 PolarHBondContact O-N 3.27Å; R599-G601 VanDerWaalsContact C-N 3.29Å; R599-G601 PolarHBondContact O-N 2.66Å; R599-R602 WeakPolarHBondContact O-CB 3.32Å; R599-R602 PolarHBondContact O-N 2.99Å
600	K	93	Very high	91.3	Very high	57 Å²	57	30.8 Å²	30.8	25%	0.248	15%	0.154	C	C	.	.	H	α-helix	trans	-50.4	-48.7	171.9	-178.6	-163	-176	166	0	111.7	V393 E395 A596 R602 A603 C611	V393-K600 HydrophobicContact CB-CD 4.46Å; V393-K600 HydrophobicContact CB-CG 3.85Å; V393-K600 HydrophobicContact CG1-CG 3.6Å; V393-K600 WeakPolarHBondContact O-CE 3.37Å; E395-K600 VanDerWaalsContact CD-NZ 3.29Å; E395-K600 HydrophobicContact CG-CD 3.84Å; E395-K600 HydrophobicContact CG-CG 4.1Å; E395-K600 WeakPolarHBondContact OE1-CD 3.47Å; E395-K600 IonicContact OE1-NZ 2.97Å; E395-K600 WeakPolarHBondContact OE2-CE 3.39Å; E395-K600 IonicContact OE2-NZ 3.82Å; E395-K600 PolarHBondContact OE2-NZ 3.15Å; A596-K600 WeakPolarHBondContact O-CB 3.37Å; A596-K600 PolarHBondContact O-N 3.4Å; K600-R602 PolarHBondContact O-N 3.19Å; K600-A603 PolarHBondContact O-N 3.11Å; K600-A603 VanDerWaalsContact O-N 3.07Å; K600-C611 HydrophobicContact CB-CB 4.26Å; K600-C611 HydrophobicContact CG-CB 4.18Å
601	G	88.8	Confident	91.5	Very high	12 Å²	12	28.8 Å²	28.8	12%	0.124	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.8	179.3	0	0	0	0	0	115.7	K597 Q598 R599	K597-G601 PolarHBondContact O-N 2.89Å; Q598-G601 PolarHBondContact O-N 3.06Å; R599-G601 VanDerWaalsContact C-N 3.29Å; R599-G601 PolarHBondContact O-N 2.66Å
602	R	89.9	Confident	91.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.015	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.8	173.3	-60.7	-73.3	154.7	168.9	-11.5	113	L492 F494 A554 E555 T556 I558 V566 Q598 R599 K600	L492-R602 HydrophobicContact CD2-CB 4.03Å; L492-R602 HydrophobicContact CD2-CG 4.28Å; F494-R602 HydrophobicContact CZ-CG 4.35Å; A554-R602 VanDerWaalsContact O-CD 3.31Å; A554-R602 WeakPolarHBondContact O-CD 3.44Å; A554-R602 PolarHBondContact O-NE 3.31Å; A554-R602 PolarHBondContact O-NH1 2.84Å; E555-R602 VanDerWaalsContact C-NH2 3.27Å; E555-R602 PolarHBondContact O-NE 3.01Å; E555-R602 PolarHBondContact O-NH2 3.37Å; T556-R602 VanDerWaalsContact C-NH2 3.27Å; T556-R602 PolarHBondContact O-NH1 2.95Å; T556-R602 PolarHBondContact O-NH2 3.03Å; I558-R602 PolarHBondContact O-NH1 3.28Å; V566-R602 HydrophobicContact CG2-CB 3.9Å; Q598-R602 PolarHBondContact O-N 3.01Å; R599-R602 WeakPolarHBondContact O-CB 3.32Å; R599-R602 PolarHBondContact O-N 2.99Å; K600-R602 PolarHBondContact O-N 3.19Å
603	A	92.9	Very high	91.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-28.3	177.9	0	0	0	0	0	113.7	V393 V564 V566 K600 R605	V393-A603 HydrophobicContact CG1-CB 3.86Å; V393-A603 HydrophobicContact CG2-CB 3.96Å; V564-A603 WeakPolarHBondContact O-CB 3.22Å; V566-A603 HydrophobicContact CB-CB 4.38Å; V566-A603 HydrophobicContact CG2-CB 3.82Å; K600-A603 PolarHBondContact O-N 3.11Å; K600-A603 VanDerWaalsContact O-N 3.07Å; A603-R605 PolarHBondContact O-N 3.1Å
604	G	88.7	Confident	92	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-93.9	30.4	-170.8	0	0	0	0	0	115.2	T390 F391 V393	T390-G604 CarbonylContact C-O 3.52Å; T390-G604 WeakPolarHBondContact CA-O 3.49Å; F391-G604 PolarHBondContact N-O 3.11Å; V393-G604 VanDerWaalsContact CG2-CA 3.4Å; V393-G604 VanDerWaalsContact CG2-N 3.33Å
605	R	81.9	Confident	92.4	Very high	44 Å²	44	25.1 Å²	25.1	17%	0.166	13%	0.127	C	C	.	.	S	Bend	trans	-91.5	-40.5	-169.2	-72.1	-177.8	163.4	-144	-5.8	114.9	T559 A603	T559-R605 VanDerWaalsContact CB-NH1 3.29Å; T559-R605 PolarHBondContact OG1-NH1 3.31Å; A603-R605 PolarHBondContact O-N 3.1Å
606	V	81.6	Confident	92.7	Very high	55 Å²	55	24.9 Å²	24.9	33%	0.333	13%	0.126	S	C	.	.	S	Bend	trans	-110.8	-29.2	-175.9	-81.3	0	0	0	0	113.7	F391 D561 V564	F391-V606 VanDerWaalsContact CE2-O 3.25Å; F391-V606 WeakPolarHBondContact CE2-O 3.4Å; D561-V606 WeakPolarHBondContact O-CG1 3.23Å; D561-V606 VanDerWaalsContact O-CG2 3.29Å; D561-V606 WeakPolarHBondContact O-CG2 3.25Å; V564-V606 HydrophobicContact CG2-CG2 4.4Å
607	Q	88.8	Confident	92.8	Very high	72 Å²	72	25.5 Å²	25.5	34%	0.336	13%	0.133	S	C	.	.	S	Bend	trans	-159.4	174.3	179.1	69	-171.7	14	0	0	108.8	F391 D488 V564	F391-Q607 VanDerWaalsContact CB-O 3.28Å; F391-Q607 WeakPolarHBondContact CB-O 3.46Å; F391-Q607 VanDerWaalsContact CG-C 3.47Å; D488-Q607 PolarHBondContact O-NE2 3.18Å; V564-Q607 HydrophobicContact CG1-CG 4.31Å; V564-Q607 HydrophobicContact CG2-CG 4.06Å
608	P	94.7	Very high	93.2	Very high	72 Å²	72	21.1 Å²	21.1	47%	0.468	12%	0.115	S	C	.	.			trans	-53	142.8	170.7	-26.5	37.1	0	0	0	111.7	F391 P392	F391-P608 HydrophobicContact CB-CG 4.44Å; F391-P608 HydrophobicContact CD1-CG 4.32Å; P392-P608 HydrophobicContact CG-CB 4.24Å; P392-P608 HydrophobicContact CG-CG 4.25Å; P392-P608 WeakPolarHBondContact O-CA 3.1Å
609	G	96.2	Very high	93.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	-179.2	-170	0	0	0	0	0	114.1	P392 V393 V394 V564	P392-G609 PolarHBondContact O-N 3.14Å; P392-G609 VanDerWaalsContact O-N 3.12Å; V393-G609 CarbonylContact C-O 3.49Å; V393-G609 VanDerWaalsContact CA-O 3.26Å; V393-G609 WeakPolarHBondContact CA-O 3.31Å; V394-G609 PolarHBondContact N-O 3.1Å; V564-G609 CarbonylContact O-C 3.6Å; V564-G609 VanDerWaalsContact O-CA 3.27Å; V564-G609 WeakPolarHBondContact O-CA 3.29Å
610	H	98.3	Very high	93.8	Very high	38 Å²	38	21.6 Å²	21.6	18%	0.176	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.3	-176.4	-58.7	-91.9	0	0	0	110.8	V394 Y396 V564 Y565 V566 Y612	V394-H610 CarbonylContact O-C 3.49Å; V394-H610 WeakPolarHBondContact O-CA 3.37Å; Y396-H610 HydrophobicContact CE2-CB 4.03Å; Y396-H610 AromaticContact CE2-ND1 3.51Å; Y396-H610 AromaticContact CZ-ND1 3.86Å; Y396-H610 PolarHBondContact OH-ND1 2.72Å; V564-H610 PolarHBondContact O-N 2.71Å; Y565-H610 HydrophobicContact CD1-CB 4.01Å; Y565-H610 AromaticContact CD1-CD2 3.97Å; Y565-H610 HydrophobicContact CE1-CB 4.41Å; Y565-H610 AromaticContact CE1-CD2 3.51Å; V566-H610 PolarHBondContact N-O 2.68Å; H610-Y612 HydrophobicContact CB-CE2 3.75Å
611	C	98.3	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.1	175.4	-167.4	0	0	0	0	110.1	V393 V394 E395 Y396 V566 K600 H613	V393-C611 HydrophobicContact CG1-CB 3.77Å; V394-C611 PolarHBondContact O-N 3.26Å; E395-C611 CarbonylContact C-O 3.52Å; E395-C611 WeakPolarHBondContact CA-O 3.32Å; Y396-C611 PolarHBondContact N-O 2.87Å; V566-C611 HydrophobicContact CB-CB 4.44Å; V566-C611 CarbonylContact O-C 3.58Å; V566-C611 WeakPolarHBondContact O-CA 3.39Å; K600-C611 HydrophobicContact CB-CB 4.26Å; K600-C611 HydrophobicContact CG-CB 4.18Å; C611-H613 PolarHBondContact SG-CE1 2.93Å; C611-H613 PolarHBondContact SG-NE2 2.67Å
612	Y	98.7	Very high	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.1	-176.1	-60.1	-82	0	0	0	109.5	Y396 I401 K404 L478 I482 Y565 V566 I567 D568 H610	Y396-Y612 AromaticContact CD2-CD1 3.34Å; Y396-Y612 HydrophobicContact CD2-CD1 3.34Å; Y396-Y612 AromaticContact CD2-CE1 3.2Å; Y396-Y612 HydrophobicContact CD2-CE1 3.2Å; Y396-Y612 HydrophobicContact CD2-CG 4.17Å; Y396-Y612 AromaticContact CD2-CZ 3.93Å; Y396-Y612 HydrophobicContact CE2-CD1 4.09Å; Y396-Y612 AromaticContact CE2-CE1 3.46Å; Y396-Y612 HydrophobicContact CE2-CE1 3.46Å; Y396-Y612 VanDerWaalsContact CE2-CE1 3.46Å; Y396-Y612 AromaticContact CE2-CZ 3.83Å; Y396-Y612 AromaticContact CG-CD1 3.76Å; Y396-Y612 HydrophobicContact CG-CD1 3.76Å; Y396-Y612 AromaticContact CG-CE1 3.81Å; Y396-Y612 HydrophobicContact CG-CE1 3.81Å; I401-Y612 HydrophobicContact CG1-CD1 3.96Å; K404-Y612 HydrophobicContact CD-CE1 4.49Å; L478-Y612 HydrophobicContact CD1-CD1 4.1Å; L478-Y612 HydrophobicContact CD1-CE1 4.2Å; L478-Y612 HydrophobicContact CD1-CG 4.27Å; L478-Y612 HydrophobicContact CD2-CD1 4.38Å; L478-Y612 HydrophobicContact CD2-CD2 4.4Å; L478-Y612 HydrophobicContact CD2-CG 3.93Å; I482-Y612 HydrophobicContact CD1-CD2 3.93Å; I482-Y612 HydrophobicContact CD1-CE2 3.55Å; I482-Y612 HydrophobicContact CG1-CE2 4Å; Y565-Y612 HydrophobicContact CD1-CE2 4.24Å; V566-Y612 WeakPolarHBondContact O-CD2 3.32Å; V566-Y612 PolarHBondContact O-N 2.99Å; I567-Y612 HydrophobicContact CG1-CD2 4.37Å; D568-Y612 PolarHBondContact N-O 2.96Å; H610-Y612 HydrophobicContact CB-CE2 3.75Å
613	H	98.4	Very high	94.5	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.6	-177.3	-60.5	-82	0	0	0	111.3	E395 Y396 L397 L398 I401 D568 C611 Y615	E395-H613 IonicContact OE1-NE2 2.73Å; Y396-H613 PolarHBondContact O-N 3.43Å; L397-H613 CarbonylContact C-O 3.13Å; L398-H613 PolarHBondContact N-O 3.44Å; I401-H613 WeakPolarHBondContact CD1-O 3.37Å; D568-H613 IonicContact OD2-CE1 3.85Å; D568-H613 IonicContact OD2-ND1 3.72Å; D568-H613 PolarHBondContact OD2-ND1 2.92Å; C611-H613 PolarHBondContact SG-CE1 2.93Å; C611-H613 PolarHBondContact SG-NE2 2.67Å; H613-Y615 HydrophobicContact CB-CD1 4.2Å; H613-Y615 HydrophobicContact CB-CD2 4.2Å; H613-Y615 HydrophobicContact CB-CE1 3.8Å; H613-Y615 HydrophobicContact CB-CE2 3.77Å; H613-Y615 HydrophobicContact CB-CG 4.4Å; H613-Y615 AromaticContact CG-CZ 3.69Å; H613-Y615 AromaticContact ND1-CE1 3.87Å; H613-Y615 AromaticContact ND1-CZ 3.56Å; H613-Y615 PolarHBondContact ND1-OH 2.87Å; H613-Y615 PolarHBondContact O-N 3.29Å
614	L	97.6	Very high	94.5	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.084	16%	0.156	C	C	.	.	S	Bend	trans	-82.7	38.8	-179.4	-82.1	70.2	0	0	0	112.8	I401 V470 L474 I475 L478 I567 D568	I401-L614 HydrophobicContact CD1-CD1 4.08Å; V470-L614 HydrophobicContact CG1-CD2 4.3Å; L474-L614 HydrophobicContact CD2-CD2 4.09Å; L474-L614 HydrophobicContact CD2-CG 4.19Å; L474-L614 HydrophobicContact CG-CD2 4.43Å; I475-L614 HydrophobicContact CD1-CD2 3.87Å; I475-L614 HydrophobicContact CG1-CD2 3.41Å; I475-L614 VanDerWaalsContact CG1-CD2 3.41Å; L478-L614 HydrophobicContact CD2-CD1 4.49Å; I567-L614 HydrophobicContact CG2-CD1 3.68Å; D568-L614 PolarHBondContact O-N 2.73Å
615	Y	97.3	Very high	94.6	Very high	13 Å²	13	31.6 Å²	31.6	5%	0.051	18%	0.18	C	C	.	.	S	Bend	trans	-134.1	149.3	169.8	49.3	-104.9	0	0	0	110.1	L397 L398 V591 A596 H613 A620 L623	L397-Y615 HydrophobicContact CD2-CD2 4.15Å; L397-Y615 HydrophobicContact CD2-CE2 4.02Å; L398-Y615 VanDerWaalsContact CB-C 3.49Å; L398-Y615 WeakPolarHBondContact CB-O 3.49Å; L398-Y615 PolarHBondContact N-O 2.86Å; V591-Y615 HydrophobicContact CG2-CE1 3.94Å; A596-Y615 VanDerWaalsContact CB-OH 3.23Å; A596-Y615 WeakPolarHBondContact CB-OH 3.38Å; H613-Y615 HydrophobicContact CB-CD1 4.2Å; H613-Y615 HydrophobicContact CB-CD2 4.2Å; H613-Y615 HydrophobicContact CB-CE1 3.8Å; H613-Y615 HydrophobicContact CB-CE2 3.77Å; H613-Y615 HydrophobicContact CB-CG 4.4Å; H613-Y615 AromaticContact CG-CZ 3.69Å; H613-Y615 AromaticContact ND1-CE1 3.87Å; H613-Y615 AromaticContact ND1-CZ 3.56Å; H613-Y615 PolarHBondContact ND1-OH 2.87Å; H613-Y615 PolarHBondContact O-N 3.29Å; Y615-A620 HydrophobicContact CD2-CB 3.81Å; Y615-A620 HydrophobicContact CE2-CB 3.73Å; Y615-L623 HydrophobicContact CE1-CD1 4.32Å; Y615-L623 HydrophobicContact CE2-CD1 4.17Å
616	N	97	Very high	94.9	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.19	C	C	.	.			trans	-80.2	164.5	-178.6	65.7	56.3	0	0	0	112.4	L398 E399 Y439 Y446 L618 R619 A620	L398-N616 HydrophobicContact CB-CB 4.37Å; E399-N616 WeakPolarHBondContact OE2-CA 3.32Å; E399-N616 WeakPolarHBondContact OE2-CB 3.42Å; Y439-N616 PolarHBondContact OH-ND2 2.71Å; Y446-N616 HydrophobicContact CE1-CB 4.25Å; N616-L618 VanDerWaalsContact C-N 3.29Å; N616-L618 PolarHBondContact O-N 2.98Å; N616-L618 PolarHBondContact OD1-N 3.44Å; N616-R619 PolarHBondContact O-N 3.15Å; N616-R619 VanDerWaalsContact O-N 3.11Å; N616-R619 PolarHBondContact OD1-N 3.11Å; N616-A620 PolarHBondContact O-N 3.26Å
617	G	96.8	Very high	95.2	Very high	20 Å²	20	34.5 Å²	34.5	21%	0.206	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-34.7	-179.4	0	0	0	0	0	115.2	E399 Y446 A620 S621	E399-G617 PolarHBondContact OE1-N 3.36Å; E399-G617 VanDerWaalsContact OE1-N 3.07Å; E399-G617 PolarHBondContact OE2-N 2.89Å; Y446-G617 PolarHBondContact OH-N 2.97Å; Y446-G617 VanDerWaalsContact OH-N 3.13Å; G617-A620 PolarHBondContact O-N 2.95Å; G617-S621 PolarHBondContact O-N 3.29Å; G617-S621 VanDerWaalsContact O-N 3.13Å
618	L	96.8	Very high	95.2	Very high	12 Å²	12	34 Å²	34	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-45.4	175.1	-179.5	63.5	0	0	0	111.2	Y439 R442 W443 Y446 N616 A620 S621 L622	Y439-L618 HydrophobicContact CD2-CB 4.47Å; Y439-L618 HydrophobicContact CD2-CD2 3.64Å; Y439-L618 HydrophobicContact CD2-CG 3.69Å; Y439-L618 HydrophobicContact CE2-CB 4.15Å; Y439-L618 HydrophobicContact CE2-CD2 3.78Å; Y439-L618 HydrophobicContact CE2-CG 3.85Å; Y439-L618 HydrophobicContact CG-CD2 4.37Å; R442-L618 HydrophobicContact CB-CD1 3.8Å; R442-L618 HydrophobicContact CB-CD2 4.15Å; W443-L618 HydrophobicContact CE3-CD2 4.13Å; Y446-L618 HydrophobicContact CD1-CB 3.82Å; Y446-L618 HydrophobicContact CD1-CD2 4.33Å; Y446-L618 HydrophobicContact CD2-CB 3.81Å; Y446-L618 HydrophobicContact CE1-CB 4.1Å; Y446-L618 HydrophobicContact CE2-CB 4.08Å; Y446-L618 HydrophobicContact CG-CB 3.67Å; Y446-L618 HydrophobicContact CG-CD2 4.23Å; Y446-L618 HydrophobicContact CG-CG 4.45Å; N616-L618 VanDerWaalsContact C-N 3.29Å; N616-L618 PolarHBondContact O-N 2.98Å; N616-L618 PolarHBondContact OD1-N 3.44Å; L618-A620 VanDerWaalsContact C-N 3.35Å; L618-A620 PolarHBondContact O-N 3.1Å; L618-S621 PolarHBondContact O-N 3.44Å; L618-S621 PolarHBondContact O-OG 3.22Å; L618-L622 PolarHBondContact O-N 2.97Å
619	R	96.3	Very high	95	Very high	8 Å²	8	31.2 Å²	31.2	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176.4	-177.9	58.6	66.2	178.4	5.5	110.8	E436 Y439 D467 W590 N616 S621 L622 L623	E436-R619 IonicContact OE1-CZ 2.67Å; E436-R619 IonicContact OE1-NH1 3.18Å; E436-R619 PolarHBondContact OE1-NH1 2.9Å; E436-R619 IonicContact OE1-NH2 3.85Å; E436-R619 PolarHBondContact OE1-NH2 2.85Å; E436-R619 VanDerWaalsContact OE1-NH2 3.14Å; E436-R619 IonicContact OE2-CZ 2.78Å; E436-R619 IonicContact OE2-NH1 3.52Å; E436-R619 IonicContact OE2-NH2 2.7Å; E436-R619 PolarHBondContact OE2-NH2 3.1Å; Y439-R619 HydrophobicContact CE2-CB 4Å; D467-R619 IonicContact OD2-CZ 3.04Å; D467-R619 IonicContact OD2-NE 2.63Å; D467-R619 IonicContact OD2-NH2 3.61Å; D467-R619 PolarHBondContact OD2-NH2 3.43Å; W590-R619 HydrophobicContact CD2-CG 4.07Å; W590-R619 HydrophobicContact CE3-CG 4.14Å; W590-R619 HydrophobicContact CH2-CG 4.24Å; W590-R619 HydrophobicContact CZ2-CG 4.13Å; W590-R619 HydrophobicContact CZ3-CG 4.25Å; W590-R619 VanDerWaalsContact NE1-CZ 3.32Å; N616-R619 PolarHBondContact O-N 3.15Å; N616-R619 VanDerWaalsContact O-N 3.11Å; N616-R619 PolarHBondContact OD1-N 3.11Å; R619-S621 VanDerWaalsContact C-N 3.26Å; R619-S621 PolarHBondContact O-N 3.44Å; R619-L622 PolarHBondContact O-N 2.95Å; R619-L622 VanDerWaalsContact O-N 3.08Å; R619-L623 HydrophobicContact CG-CD2 4.22Å; R619-L623 WeakPolarHBondContact O-CG 3.21Å; R619-L623 PolarHBondContact O-N 3.05Å
620	A	97.2	Very high	94.7	Very high	24 Å²	24	33.9 Å²	33.9	20%	0.198	18%	0.181	C	C	.	.	H	α-helix	trans	-54.3	-40.8	175.4	0	0	0	0	0	112.6	L397 Y615 N616 G617 L618 L622	L397-A620 HydrophobicContact CD2-CB 4.13Å; Y615-A620 HydrophobicContact CD2-CB 3.81Å; Y615-A620 HydrophobicContact CE2-CB 3.73Å; N616-A620 PolarHBondContact O-N 3.26Å; G617-A620 PolarHBondContact O-N 2.95Å; L618-A620 VanDerWaalsContact C-N 3.35Å; L618-A620 PolarHBondContact O-N 3.1Å; A620-L622 VanDerWaalsContact C-N 3.28Å; A620-L622 PolarHBondContact O-N 3.22Å
621	S	96.5	Very high	94.4	Very high	66 Å²	66	32.1 Å²	32.1	46%	0.462	17%	0.173	S	C	.	.	H	α-helix	trans	-67.7	-23.4	179.7	79	0	0	0	0	114.5	G617 L618 R619	G617-S621 PolarHBondContact O-N 3.29Å; G617-S621 VanDerWaalsContact O-N 3.13Å; L618-S621 PolarHBondContact O-N 3.44Å; L618-S621 PolarHBondContact O-OG 3.22Å; R619-S621 VanDerWaalsContact C-N 3.26Å; R619-S621 PolarHBondContact O-N 3.44Å
622	L	96.1	Very high	94	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.131	19%	0.186	C	C	.	.	H	α-helix	trans	-104.4	-5	-175.5	-63.5	178.5	0	0	0	114	K435 I438 Y439 L618 R619 A620	K435-L622 PolarHBondContact NZ-O 3Å; I438-L622 HydrophobicContact CG2-CD1 4.21Å; I438-L622 HydrophobicContact CG2-CD2 3.93Å; Y439-L622 HydrophobicContact CD2-CD1 4.06Å; Y439-L622 HydrophobicContact CG-CD1 4.44Å; L618-L622 PolarHBondContact O-N 2.97Å; R619-L622 PolarHBondContact O-N 2.95Å; R619-L622 VanDerWaalsContact O-N 3.08Å; A620-L622 VanDerWaalsContact C-N 3.28Å; A620-L622 PolarHBondContact O-N 3.22Å
623	L	95.1	Very high	93.4	Very high	11 Å²	11	36 Å²	36	6%	0.058	19%	0.191	C	C	.	.	S	Bend	trans	-55.8	143.5	173.5	-58.8	-175.3	0	0	0	110.6	W590 V591 K593 Y615 R619	W590-L623 HydrophobicContact CB-CD2 3.9Å; W590-L623 HydrophobicContact CG-CD2 4.43Å; V591-L623 HydrophobicContact CG2-CD1 4.33Å; V591-L623 WeakPolarHBondContact O-CD2 3.4Å; K593-L623 WeakPolarHBondContact CE-O 3.32Å; K593-L623 HydrophobicContact CG-CB 3.93Å; K593-L623 PolarHBondContact NZ-O 3.43Å; Y615-L623 HydrophobicContact CE1-CD1 4.32Å; Y615-L623 HydrophobicContact CE2-CD1 4.17Å; R619-L623 HydrophobicContact CG-CD2 4.22Å; R619-L623 WeakPolarHBondContact O-CG 3.21Å; R619-L623 PolarHBondContact O-N 3.05Å
624	D	92.8	Very high	92.7	Very high	89 Å²	89	37.2 Å²	37.2	48%	0.476	20%	0.199	S	C	.	.			trans	-62.2	146.8	169.7	-71.9	-69.8	0	0	0	110.9	K435 S592 K593 Y626	K435-D624 IonicContact NZ-OD1 2.74Å; K435-D624 PolarHBondContact NZ-OD1 3.32Å; K435-D624 IonicContact NZ-OD2 3.54Å; K435-D624 PolarHBondContact NZ-OD2 3.28Å; S592-D624 CarbonylContact C-O 3.2Å; S592-D624 WeakPolarHBondContact CA-O 3.17Å; S592-D624 VanDerWaalsContact CB-O 3.24Å; S592-D624 WeakPolarHBondContact CB-O 3.37Å; K593-D624 PolarHBondContact N-O 3.36Å; D624-Y626 VanDerWaalsContact C-N 3.29Å; D624-Y626 PolarHBondContact O-N 3.09Å
625	D	90.1	Very high	92.1	Very high	92 Å²	92	38 Å²	38	49%	0.492	21%	0.205	S	C	.	.	S	Bend	trans	-67.4	-36.2	178.5	-63	-35	0	0	0	111.1	K593 A594	K593-D625 WeakPolarHBondContact CD-OD1 3.41Å; K593-D625 IonicContact NZ-OD1 3.38Å; K593-D625 PolarHBondContact NZ-OD1 2.73Å; A594-D625 VanDerWaalsContact CB-O 3.25Å; A594-D625 WeakPolarHBondContact CB-O 3.43Å; A594-D625 PolarHBondContact N-O 2.72Å
626	Y	88.6	Confident	91.7	Very high	98 Å²	98	37.3 Å²	37.3	38%	0.384	20%	0.202	S	C	.	.	S	Bend	trans	-139.7	152.9	179.6	-58	-82.8	0	0	0	110.6	T368 N370 A594 D624	T368-Y626 HydrophobicContact CG2-CE1 4.28Å; N370-Y626 HydrophobicContact CB-CE1 4.14Å; N370-Y626 HydrophobicContact CB-CE2 4.37Å; A594-Y626 HydrophobicContact CB-CD1 3.63Å; A594-Y626 HydrophobicContact CB-CE1 3.87Å; A594-Y626 HydrophobicContact CB-CG 4.5Å; D624-Y626 VanDerWaalsContact C-N 3.29Å; D624-Y626 PolarHBondContact O-N 3.09Å
627	Q	87.6	Confident	91.2	Very high	61 Å²	61	38.4 Å²	38.4	29%	0.285	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-68.4	151	168	-58.7	-176.2	-87	0	0	110.4	E574 N595	E574-Q627 PolarHBondContact OE1-NE2 3.3Å; N595-Q627 PolarHBondContact ND2-OE1 3.18Å; N595-Q627 VanDerWaalsContact OD1-CD 3.22Å; N595-Q627 WeakPolarHBondContact OD1-CG 3.29Å; N595-Q627 PolarHBondContact OD1-OE1 2.74Å
628	L	88.1	Confident	90.6	Very high	62 Å²	62	40.8 Å²	40.8	33%	0.325	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-71.4	134.1	175.8	-163.3	73.7	0	0	0	110.4	R429 L632 R633	R429-L628 VanDerWaalsContact NH2-CD2 3.3Å; L628-L632 HydrophobicContact CD1-CD1 3.8Å; L628-L632 HydrophobicContact CD2-CB 3.62Å; L628-L632 HydrophobicContact CD2-CD1 4.15Å; L628-L632 HydrophobicContact CG-CB 3.96Å; L628-L632 HydrophobicContact CG-CD1 3.92Å; L628-R633 PolarHBondContact O-NE 3.2Å
629	P	90.8	Very high	90.2	Very high	14 Å²	14	40.2 Å²	40.2	9%	0.091	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-46.4	139.9	174.7	-32.7	37.1	0	0	0	113.3	R339 I631 L632	R339-P629 HydrophobicContact CB-CB 3.91Å; R339-P629 HydrophobicContact CB-CG 4.12Å; R339-P629 HydrophobicContact CG-CG 4.24Å; P629-I631 HydrophobicContact CB-CG2 3.95Å; P629-I631 PolarHBondContact O-N 3.36Å; P629-L632 HydrophobicContact CB-CD1 4.48Å; P629-L632 HydrophobicContact CB-CG 4.34Å; P629-L632 HydrophobicContact CG-CD1 4.46Å; P629-L632 PolarHBondContact O-N 2.79Å
630	E	89.6	Confident	90	Very high	56 Å²	56	39.8 Å²	39.8	26%	0.262	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-60.2	-34.3	-173.5	-173.6	168.9	-135.5	0	0	112.6	R339 N340 L341 L632 R633 T634	R339-E630 WeakPolarHBondContact O-CB 3.4Å; R339-E630 PolarHBondContact O-N 3.2Å; N340-E630 VanDerWaalsContact CA-OE2 3.28Å; N340-E630 WeakPolarHBondContact CA-OE2 3.47Å; L341-E630 HydrophobicContact CB-CB 4.44Å; L341-E630 HydrophobicContact CB-CG 4.21Å; L341-E630 PolarHBondContact N-OE2 3.24Å; E630-L632 PolarHBondContact O-N 2.94Å; E630-R633 PolarHBondContact O-N 3.28Å; E630-T634 WeakPolarHBondContact CG-OG1 3.44Å; E630-T634 VanDerWaalsContact O-CB 3.31Å; E630-T634 WeakPolarHBondContact O-CB 3.44Å; E630-T634 PolarHBondContact O-N 2.86Å; E630-T634 PolarHBondContact O-OG1 3.21Å
631	I	92	Very high	89.5	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.5	-26.3	175.5	-167.7	71.9	0	0	0	113.6	L341 P629 L636 L639 L658 D660 P662	L341-I631 HydrophobicContact CD1-CD1 4.33Å; L341-I631 HydrophobicContact CG-CD1 4.18Å; P629-I631 HydrophobicContact CB-CG2 3.95Å; P629-I631 PolarHBondContact O-N 3.36Å; I631-L636 HydrophobicContact CD1-CD2 3.73Å; I631-L639 HydrophobicContact CD1-CD2 3.48Å; I631-L639 VanDerWaalsContact CD1-CD2 3.48Å; I631-L658 HydrophobicContact CD1-CD1 3.76Å; I631-L658 HydrophobicContact CG1-CD1 3.72Å; I631-D660 WeakPolarHBondContact CG2-O 3.37Å; I631-P662 HydrophobicContact CG1-CB 4.34Å; I631-P662 HydrophobicContact CG1-CG 4.27Å
632	L	90.8	Very high	89	Confident	52 Å²	52	37.4 Å²	37.4	27%	0.272	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-93.6	2.3	-177.6	-56.1	-175.8	0	0	0	113.9	R429 L628 P629 E630 D660 P661	R429-L632 PolarHBondContact NH2-O 3.05Å; L628-L632 HydrophobicContact CD1-CD1 3.8Å; L628-L632 HydrophobicContact CD2-CB 3.62Å; L628-L632 HydrophobicContact CD2-CD1 4.15Å; L628-L632 HydrophobicContact CG-CB 3.96Å; L628-L632 HydrophobicContact CG-CD1 3.92Å; P629-L632 HydrophobicContact CB-CD1 4.48Å; P629-L632 HydrophobicContact CB-CG 4.34Å; P629-L632 HydrophobicContact CG-CD1 4.46Å; P629-L632 PolarHBondContact O-N 2.79Å; E630-L632 PolarHBondContact O-N 2.94Å; L632-D660 HydrophobicContact CD1-CB 4.15Å; L632-D660 HydrophobicContact CD2-CB 4.37Å; L632-D660 HydrophobicContact CG-CB 4.44Å; L632-P661 WeakPolarHBondContact CD2-O 3.38Å
633	R	86.3	Confident	88.7	Confident	29 Å²	29	36.2 Å²	36.2	11%	0.109	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.7	6.6	-173.9	61.4	178	176.9	69.9	5.5	115	T575 H576 F577 L628 E630	T575-R633 WeakPolarHBondContact O-CD 3.38Å; T575-R633 WeakPolarHBondContact O-CG 3.5Å; T575-R633 PolarHBondContact O-NH1 3.45Å; T575-R633 VanDerWaalsContact O-NH1 3.15Å; H576-R633 CarbonylContact C-O 3.54Å; H576-R633 WeakPolarHBondContact CA-O 3.4Å; F577-R633 WeakPolarHBondContact CB-O 3.2Å; F577-R633 PolarHBondContact N-O 3.47Å; L628-R633 PolarHBondContact O-NE 3.2Å; E630-R633 PolarHBondContact O-N 3.28Å
634	T	84.2	Confident	88.4	Confident	28 Å²	28	36.5 Å²	36.5	17%	0.172	18%	0.18	C	C	.	.	S	Bend	trans	-124	146.4	-177	-54.2	0	0	0	0	109.9	E630 L636	E630-T634 WeakPolarHBondContact CG-OG1 3.44Å; E630-T634 VanDerWaalsContact O-CB 3.31Å; E630-T634 WeakPolarHBondContact O-CB 3.44Å; E630-T634 PolarHBondContact O-N 2.86Å; E630-T634 PolarHBondContact O-OG1 3.21Å; T634-L636 WeakPolarHBondContact O-CD2 3.39Å
635	P	83.7	Confident	88	Confident	31 Å²	31	33.8 Å²	33.8	20%	0.201	17%	0.166	C	C	.	.			trans	-57.3	150.6	168.3	-22.5	34.6	0	0	0	112.1	F577 E637	F577-P635 HydrophobicContact CB-CG 4.5Å; F577-P635 HydrophobicContact CD2-CG 3.83Å; F577-P635 HydrophobicContact CE2-CG 4.16Å; F577-P635 HydrophobicContact CG-CG 4.11Å; P635-E637 WeakPolarHBondContact CB-OE2 3.21Å
636	L	89.6	Confident	87.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.			trans	-113.5	8.8	-166.9	-51.5	174.2	0	0	0	114.1	L341 I631 T634 E638 L639 C640 L655 P662 A666 V667 S670	L341-L636 HydrophobicContact CD1-CD2 4.34Å; I631-L636 HydrophobicContact CD1-CD2 3.73Å; T634-L636 WeakPolarHBondContact O-CD2 3.39Å; L636-E638 PolarHBondContact O-N 3.11Å; L636-L639 WeakPolarHBondContact O-CB 3.5Å; L636-L639 PolarHBondContact O-N 3.27Å; L636-L639 VanDerWaalsContact O-N 3.12Å; L636-C640 WeakPolarHBondContact O-CB 3.49Å; L636-C640 PolarHBondContact O-N 3.45Å; L636-C640 PolarHBondContact O-SG 3.37Å; L636-L655 HydrophobicContact CD1-CD1 4.31Å; L636-P662 HydrophobicContact CD1-CB 3.7Å; L636-P662 HydrophobicContact CD1-CG 3.81Å; L636-A666 HydrophobicContact CD1-CB 4.22Å; L636-V667 HydrophobicContact CD1-CG2 4.02Å; L636-S670 WeakPolarHBondContact CB-OG 3.37Å; L636-S670 PolarHBondContact N-OG 3Å
637	E	87.5	Confident	87.7	Confident	26 Å²	26	36.3 Å²	36.3	12%	0.121	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-43	-172	-60.7	90.5	153.1	0	0	113.1	P635 L639 C640 L641 H673 L674 P700	P635-E637 WeakPolarHBondContact CB-OE2 3.21Å; E637-L639 VanDerWaalsContact C-N 3.3Å; E637-L639 PolarHBondContact O-N 3.36Å; E637-C640 PolarHBondContact O-N 3.48Å; E637-L641 PolarHBondContact O-N 3.38Å; E637-H673 HydrophobicContact CG-CB 4.13Å; E637-H673 IonicContact OE1-CE1 2.76Å; E637-H673 IonicContact OE1-CG 3.63Å; E637-H673 IonicContact OE1-ND1 3.3Å; E637-H673 PolarHBondContact OE1-ND1 3.41Å; E637-L674 HydrophobicContact CB-CD2 3.98Å; E637-L674 HydrophobicContact CB-CG 4.15Å; E637-L674 HydrophobicContact CG-CG 4.42Å; E637-P700 HydrophobicContact CB-CG 4.31Å
638	E	83.7	Confident	87.7	Confident	70 Å²	70	35.4 Å²	35.4	33%	0.327	17%	0.166	S	C	.	.	H	α-helix	trans	-60.3	-43.5	174.4	-171.7	-169.6	138.2	0	0	110.9	Q342 L636 L641 Q642	Q342-E638 PolarHBondContact NE2-OE1 2.94Å; Q342-E638 VanDerWaalsContact NE2-OE1 3.15Å; L636-E638 PolarHBondContact O-N 3.11Å; E638-L641 PolarHBondContact O-N 3.17Å; E638-Q642 WeakPolarHBondContact O-CG 3.37Å; E638-Q642 PolarHBondContact O-N 3.06Å; E638-Q642 PolarHBondContact OE1-NE2 3.13Å
639	L	87.9	Confident	87.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-43	-179.4	-179.7	49.8	0	0	0	112.1	L341 V345 I631 L636 E637 L641 Q642 I643 L655	L341-L639 HydrophobicContact CD1-CD2 4.34Å; L341-L639 HydrophobicContact CD2-CB 4.18Å; L341-L639 HydrophobicContact CD2-CD1 4.36Å; L341-L639 HydrophobicContact CD2-CD2 4.04Å; L341-L639 HydrophobicContact CD2-CG 4.41Å; L341-L639 HydrophobicContact CG-CD2 4.09Å; V345-L639 HydrophobicContact CB-CD1 4.17Å; V345-L639 HydrophobicContact CG1-CD1 3.81Å; V345-L639 HydrophobicContact CG2-CD1 3.36Å; V345-L639 HydrophobicContact CG2-CD2 3.61Å; V345-L639 HydrophobicContact CG2-CG 4.14Å; I631-L639 HydrophobicContact CD1-CD2 3.48Å; I631-L639 VanDerWaalsContact CD1-CD2 3.48Å; L636-L639 WeakPolarHBondContact O-CB 3.5Å; L636-L639 PolarHBondContact O-N 3.27Å; L636-L639 VanDerWaalsContact O-N 3.12Å; E637-L639 VanDerWaalsContact C-N 3.3Å; E637-L639 PolarHBondContact O-N 3.36Å; L639-L641 VanDerWaalsContact C-N 3.27Å; L639-L641 PolarHBondContact O-N 3.23Å; L639-Q642 PolarHBondContact O-N 3.27Å; L639-Q642 VanDerWaalsContact O-N 3.08Å; L639-I643 HydrophobicContact CD1-CD1 4.08Å; L639-I643 HydrophobicContact CD1-CG1 4.04Å; L639-I643 HydrophobicContact CG-CD1 3.91Å; L639-I643 HydrophobicContact CG-CG1 4.39Å; L639-I643 VanDerWaalsContact O-CG1 3.31Å; L639-I643 WeakPolarHBondContact O-CG1 3.5Å; L639-I643 PolarHBondContact O-N 2.92Å; L639-L655 HydrophobicContact CD2-CD2 3.61Å; L639-L655 HydrophobicContact CG-CD2 4.15Å
640	C	91.7	Very high	87.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-38.7	177.2	-70.2	0	0	0	0	111.9	L636 E637 K644 I651 L674	L636-C640 WeakPolarHBondContact O-CB 3.49Å; L636-C640 PolarHBondContact O-N 3.45Å; L636-C640 PolarHBondContact O-SG 3.37Å; E637-C640 PolarHBondContact O-N 3.48Å; C640-K644 PolarHBondContact O-N 3.13Å; C640-I651 HydrophobicContact CB-CD1 4.13Å; C640-I651 HydrophobicContact CB-CG2 4.1Å; C640-I651 WeakPolarHBondContact SG-CG2 3.46Å; C640-L674 HydrophobicContact CB-CD1 3.42Å; C640-L674 VanDerWaalsContact CB-CD1 3.42Å
641	L	87.7	Confident	88.1	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-69.5	-40.6	171.5	-69.1	-168.4	0	0	0	112.8	E637 E638 L639 I643 K644 I645 L674 A679 L680 L686 L693 A694 P700	E637-L641 PolarHBondContact O-N 3.38Å; E638-L641 PolarHBondContact O-N 3.17Å; L639-L641 VanDerWaalsContact C-N 3.27Å; L639-L641 PolarHBondContact O-N 3.23Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-I643 PolarHBondContact O-N 2.88Å; L641-K644 PolarHBondContact O-N 3.19Å; L641-I645 PolarHBondContact O-N 3.29Å; L641-L674 HydrophobicContact CD1-CD2 4.07Å; L641-L674 HydrophobicContact CD2-CD1 3.8Å; L641-L674 HydrophobicContact CD2-CD2 3.95Å; L641-L674 HydrophobicContact CD2-CG 4.44Å; L641-L674 HydrophobicContact CG-CD1 3.95Å; L641-L674 HydrophobicContact CG-CD2 3.76Å; L641-A679 HydrophobicContact CD1-CB 4.46Å; L641-A679 HydrophobicContact CD2-CB 4.12Å; L641-L680 HydrophobicContact CD2-CD2 4.15Å; L641-L680 HydrophobicContact CD2-CG 4.4Å; L641-L686 HydrophobicContact CD2-CD2 3.71Å; L641-L693 HydrophobicContact CD1-CB 3.94Å; L641-A694 HydrophobicContact CB-CB 4.2Å; L641-P700 HydrophobicContact CD1-CB 3.85Å; L641-P700 HydrophobicContact CD1-CG 3.67Å; L641-P700 HydrophobicContact CG-CG 4.35Å
642	Q	84.4	Confident	88.3	Confident	36 Å²	36	35 Å²	35	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-40.5	176.5	-76	168.6	-4.2	0	0	112	Q342 E638 L639 K644 I645 L646	Q342-Q642 VanDerWaalsContact OE1-OE1 3.14Å; E638-Q642 WeakPolarHBondContact O-CG 3.37Å; E638-Q642 PolarHBondContact O-N 3.06Å; E638-Q642 PolarHBondContact OE1-NE2 3.13Å; L639-Q642 PolarHBondContact O-N 3.27Å; L639-Q642 VanDerWaalsContact O-N 3.08Å; Q642-K644 VanDerWaalsContact C-N 3.33Å; Q642-K644 PolarHBondContact O-N 3.29Å; Q642-I645 WeakPolarHBondContact O-CG2 3.39Å; Q642-L646 VanDerWaalsContact O-CB 3.25Å; Q642-L646 WeakPolarHBondContact O-CB 3.26Å; Q642-L646 VanDerWaalsContact O-CG 3.23Å; Q642-L646 WeakPolarHBondContact O-CG 3.48Å; Q642-L646 PolarHBondContact O-N 3.41Å; Q642-L646 VanDerWaalsContact O-N 3.1Å
643	I	89.9	Confident	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-44	174.5	-71.1	165.2	0	0	0	111.1	L639 L641 R647 L648 I651 F654 L655	L639-I643 HydrophobicContact CD1-CD1 4.08Å; L639-I643 HydrophobicContact CD1-CG1 4.04Å; L639-I643 HydrophobicContact CG-CD1 3.91Å; L639-I643 HydrophobicContact CG-CG1 4.39Å; L639-I643 VanDerWaalsContact O-CG1 3.31Å; L639-I643 WeakPolarHBondContact O-CG1 3.5Å; L639-I643 PolarHBondContact O-N 2.92Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-I643 PolarHBondContact O-N 2.88Å; I643-R647 PolarHBondContact O-N 3.5Å; I643-L648 HydrophobicContact CG2-CB 4.15Å; I643-L648 PolarHBondContact O-N 3.23Å; I643-I651 HydrophobicContact CG2-CG1 4.32Å; I643-F654 HydrophobicContact CD1-CB 4.46Å; I643-F654 HydrophobicContact CD1-CD1 3.6Å; I643-F654 HydrophobicContact CD1-CE1 4.31Å; I643-F654 HydrophobicContact CD1-CG 4.36Å; I643-F654 HydrophobicContact CG1-CD1 3.7Å; I643-F654 HydrophobicContact CG1-CE1 4.14Å; I643-F654 HydrophobicContact CG1-CG 4.32Å; I643-F654 HydrophobicContact CG2-CB 4.07Å; I643-F654 HydrophobicContact CG2-CD1 4.49Å; I643-F654 HydrophobicContact CG2-CG 4.3Å; I643-L655 HydrophobicContact CD1-CD1 4.35Å; I643-L655 HydrophobicContact CD1-CD2 3.66Å; I643-L655 HydrophobicContact CD1-CG 3.79Å
644	K	89.4	Confident	89	Confident	16 Å²	16	38.1 Å²	38.1	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-74.1	-42.3	-178	-77.6	-83.3	166.5	155.7	0	113.3	C640 L641 Q642 L646 R647 I651 L680 E684 E685 L686	C640-K644 PolarHBondContact O-N 3.13Å; L641-K644 PolarHBondContact O-N 3.19Å; Q642-K644 VanDerWaalsContact C-N 3.33Å; Q642-K644 PolarHBondContact O-N 3.29Å; K644-L646 VanDerWaalsContact C-N 3.3Å; K644-L646 PolarHBondContact O-N 3.28Å; K644-R647 WeakPolarHBondContact O-CA 3.46Å; K644-R647 PolarHBondContact O-N 3.06Å; K644-I651 HydrophobicContact CG-CD1 3.98Å; K644-I651 HydrophobicContact CG-CG1 3.99Å; K644-L680 HydrophobicContact CG-CD2 4.34Å; K644-E684 WeakPolarHBondContact CD-O 3.49Å; K644-E684 WeakPolarHBondContact CE-O 3.43Å; K644-E684 PolarHBondContact NZ-O 2.93Å; K644-E685 IonicContact NZ-OE1 3.63Å; K644-E685 PolarHBondContact NZ-OE1 3.39Å; K644-E685 IonicContact NZ-OE2 2.65Å; K644-E685 PolarHBondContact NZ-OE2 2.74Å; K644-L686 HydrophobicContact CB-CD1 3.94Å; K644-L686 HydrophobicContact CB-CD2 4.06Å; K644-L686 HydrophobicContact CB-CG 3.83Å
645	I	84.6	Confident	89.6	Confident	33 Å²	33	36.9 Å²	36.9	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-32.2	177.7	-163.3	66	0	0	0	112	Q320 L641 Q642 R647 L686 V691 A694	Q320-I645 HydrophobicContact CG-CG2 4.46Å; L641-I645 PolarHBondContact O-N 3.29Å; Q642-I645 WeakPolarHBondContact O-CG2 3.39Å; I645-R647 PolarHBondContact O-N 3.39Å; I645-L686 HydrophobicContact CB-CD1 4.34Å; I645-L686 HydrophobicContact CD1-CD1 4.12Å; I645-V691 HydrophobicContact CD1-CG1 4.41Å; I645-A694 HydrophobicContact CB-CB 3.69Å; I645-A694 HydrophobicContact CD1-CB 4.21Å; I645-A694 HydrophobicContact CG1-CB 3.95Å; I645-A694 HydrophobicContact CG2-CB 4Å
646	L	84.1	Confident	90.2	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.131	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.8	171.6	-66.4	177.5	0	0	0	113.6	L316 L319 Q320 Q642 K644 L648	L316-L646 HydrophobicContact CD2-CD1 4.24Å; L319-L646 VanDerWaalsContact C-CD2 3.47Å; L319-L646 HydrophobicContact CB-CD2 3.58Å; Q320-L646 HydrophobicContact CB-CD2 4.42Å; Q320-L646 HydrophobicContact CG-CD2 3.67Å; Q642-L646 VanDerWaalsContact O-CB 3.25Å; Q642-L646 WeakPolarHBondContact O-CB 3.26Å; Q642-L646 VanDerWaalsContact O-CG 3.23Å; Q642-L646 WeakPolarHBondContact O-CG 3.48Å; Q642-L646 PolarHBondContact O-N 3.41Å; Q642-L646 VanDerWaalsContact O-N 3.1Å; K644-L646 VanDerWaalsContact C-N 3.3Å; K644-L646 PolarHBondContact O-N 3.28Å; L646-L648 VanDerWaalsContact C-N 3.27Å; L646-L648 HydrophobicContact CB-CD1 3.87Å; L646-L648 HydrophobicContact CB-CD2 4.26Å; L646-L648 HydrophobicContact CB-CG 3.7Å; L646-L648 HydrophobicContact CD1-CD1 4.12Å; L646-L648 PolarHBondContact O-N 2.95Å
647	R	88.1	Confident	90.5	Very high	218 Å²	218	42.3 Å²	42.3	82%	0.823	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	36.4	178.6	-56.7	-179.4	175.7	-171.2	-3.9	113.9	I643 K644 I645 G649	I643-R647 PolarHBondContact O-N 3.5Å; K644-R647 WeakPolarHBondContact O-CA 3.46Å; K644-R647 PolarHBondContact O-N 3.06Å; I645-R647 PolarHBondContact O-N 3.39Å; R647-G649 PolarHBondContact O-N 2.94Å; R647-G649 VanDerWaalsContact O-N 3.09Å
648	L	88.2	Confident	90.9	Very high	41 Å²	41	41.4 Å²	41.4	22%	0.215	22%	0.215	C	C	.	.			trans	-79.2	15.8	-176.5	-56.5	173.7	0	0	0	113.9	V349 I643 L646 F654	V349-L648 HydrophobicContact CG2-CD1 3.57Å; V349-L648 HydrophobicContact CG2-CD2 4.17Å; I643-L648 HydrophobicContact CG2-CB 4.15Å; I643-L648 PolarHBondContact O-N 3.23Å; L646-L648 VanDerWaalsContact C-N 3.27Å; L646-L648 HydrophobicContact CB-CD1 3.87Å; L646-L648 HydrophobicContact CB-CD2 4.26Å; L646-L648 HydrophobicContact CB-CG 3.7Å; L646-L648 HydrophobicContact CD1-CD1 4.12Å; L646-L648 PolarHBondContact O-N 2.95Å; L648-F654 HydrophobicContact CB-CD2 3.72Å; L648-F654 HydrophobicContact CB-CE2 4.01Å; L648-F654 HydrophobicContact CB-CG 4.3Å; L648-F654 HydrophobicContact CD1-CD2 4.23Å; L648-F654 HydrophobicContact CD1-CE1 4.38Å; L648-F654 HydrophobicContact CD1-CE2 3.75Å; L648-F654 HydrophobicContact CD1-CZ 3.83Å; L648-F654 HydrophobicContact CG-CE2 4.32Å
649	G	89.1	Confident	91.4	Very high	41 Å²	41	39.4 Å²	39.4	42%	0.423	21%	0.206	S	C	.	.	S	Bend	trans	89.4	-153.6	179.5	0	0	0	0	0	114.4	R647	R647-G649 PolarHBondContact O-N 2.94Å; R647-G649 VanDerWaalsContact O-N 3.09Å
650	G	93	Very high	91.7	Very high	35 Å²	35	41.5 Å²	41.5	36%	0.361	22%	0.217	S	C	.	.			trans	-69.4	136.3	179.5	0	0	0	0	0	112.2	A652 Y653 F654	G650-A652 PolarHBondContact O-N 2.81Å; G650-Y653 PolarHBondContact O-N 2.88Å; G650-F654 PolarHBondContact O-N 3.04Å
651	I	95.1	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-53.8	-170.5	-67	164.2	0	0	0	111.5	C640 I643 K644 Y653 F654 L655 V667 I671 L680	C640-I651 HydrophobicContact CB-CD1 4.13Å; C640-I651 HydrophobicContact CB-CG2 4.1Å; C640-I651 WeakPolarHBondContact SG-CG2 3.46Å; I643-I651 HydrophobicContact CG2-CG1 4.32Å; K644-I651 HydrophobicContact CG-CD1 3.98Å; K644-I651 HydrophobicContact CG-CG1 3.99Å; I651-Y653 VanDerWaalsContact C-N 3.29Å; I651-Y653 PolarHBondContact O-N 3.21Å; I651-F654 PolarHBondContact O-N 3.45Å; I651-L655 HydrophobicContact CG2-CD1 3.86Å; I651-L655 WeakPolarHBondContact O-CG 3.34Å; I651-L655 PolarHBondContact O-N 3.47Å; I651-V667 HydrophobicContact CG2-CG1 4.28Å; I651-I671 HydrophobicContact CB-CD1 4.03Å; I651-I671 HydrophobicContact CB-CG1 4.41Å; I651-I671 HydrophobicContact CD1-CD1 4.39Å; I651-I671 HydrophobicContact CD1-CG1 4.03Å; I651-I671 HydrophobicContact CG2-CD1 3.89Å; I651-I671 HydrophobicContact CG2-CG1 4.01Å; I651-L680 HydrophobicContact CD1-CD1 3.72Å
652	A	95.6	Very high	92.1	Very high	50 Å²	50	44.8 Å²	44.8	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-33.9	179.7	0	0	0	0	0	112.9	G650 S656 V667	G650-A652 PolarHBondContact O-N 2.81Å; A652-S656 WeakPolarHBondContact O-CB 3.17Å; A652-S656 PolarHBondContact O-N 2.92Å; A652-S656 VanDerWaalsContact O-N 3.09Å; A652-S656 PolarHBondContact O-OG 3.45Å; A652-V667 HydrophobicContact CB-CG1 4.06Å
653	Y	95.6	Very high	92.6	Very high	147 Å²	147	45.7 Å²	45.7	58%	0.576	25%	0.249	S	C	*	.	H	α-helix	trans	-68.9	-42.1	176.2	174.4	-102.5	0	0	0	112.2	G650 I651 S656 R657	G650-Y653 PolarHBondContact O-N 2.88Å; I651-Y653 VanDerWaalsContact C-N 3.29Å; I651-Y653 PolarHBondContact O-N 3.21Å; Y653-S656 PolarHBondContact O-OG 2.97Å; Y653-R657 WeakPolarHBondContact O-CD 3.33Å; Y653-R657 WeakPolarHBondContact O-CG 3.45Å
654	F	96.1	Very high	92.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-46.1	176.3	-176.6	-90.1	0	0	0	111.3	V345 T348 V349 I643 L648 G650 I651 S656 R657 L658	V345-F654 HydrophobicContact CG1-CE1 4.21Å; V345-F654 HydrophobicContact CG1-CZ 4.49Å; T348-F654 HydrophobicContact CG2-CE1 4.39Å; T348-F654 HydrophobicContact CG2-CE2 3.79Å; T348-F654 HydrophobicContact CG2-CZ 3.67Å; V349-F654 HydrophobicContact CG2-CE2 4.26Å; V349-F654 HydrophobicContact CG2-CZ 3.9Å; I643-F654 HydrophobicContact CD1-CB 4.46Å; I643-F654 HydrophobicContact CD1-CD1 3.6Å; I643-F654 HydrophobicContact CD1-CE1 4.31Å; I643-F654 HydrophobicContact CD1-CG 4.36Å; I643-F654 HydrophobicContact CG1-CD1 3.7Å; I643-F654 HydrophobicContact CG1-CE1 4.14Å; I643-F654 HydrophobicContact CG1-CG 4.32Å; I643-F654 HydrophobicContact CG2-CB 4.07Å; I643-F654 HydrophobicContact CG2-CD1 4.49Å; I643-F654 HydrophobicContact CG2-CG 4.3Å; L648-F654 HydrophobicContact CB-CD2 3.72Å; L648-F654 HydrophobicContact CB-CE2 4.01Å; L648-F654 HydrophobicContact CB-CG 4.3Å; L648-F654 HydrophobicContact CD1-CD2 4.23Å; L648-F654 HydrophobicContact CD1-CE1 4.38Å; L648-F654 HydrophobicContact CD1-CE2 3.75Å; L648-F654 HydrophobicContact CD1-CZ 3.83Å; L648-F654 HydrophobicContact CG-CE2 4.32Å; G650-F654 PolarHBondContact O-N 3.04Å; I651-F654 PolarHBondContact O-N 3.45Å; F654-S656 VanDerWaalsContact C-N 3.28Å; F654-S656 PolarHBondContact O-N 3.04Å; F654-R657 WeakPolarHBondContact O-CB 3.47Å; F654-R657 PolarHBondContact O-N 3.25Å; F654-L658 HydrophobicContact CE1-CD2 3.97Å
655	L	96.1	Very high	92.8	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-30.2	-178.8	-68.5	175.4	0	0	0	113.2	L636 L639 I643 I651 R657 L658 P662 V667	L636-L655 HydrophobicContact CD1-CD1 4.31Å; L639-L655 HydrophobicContact CD2-CD2 3.61Å; L639-L655 HydrophobicContact CG-CD2 4.15Å; I643-L655 HydrophobicContact CD1-CD1 4.35Å; I643-L655 HydrophobicContact CD1-CD2 3.66Å; I643-L655 HydrophobicContact CD1-CG 3.79Å; I651-L655 HydrophobicContact CG2-CD1 3.86Å; I651-L655 WeakPolarHBondContact O-CG 3.34Å; I651-L655 PolarHBondContact O-N 3.47Å; L655-R657 PolarHBondContact O-N 3.49Å; L655-L658 HydrophobicContact CD2-CD1 3.77Å; L655-L658 HydrophobicContact CD2-CG 4.5Å; L655-L658 WeakPolarHBondContact O-CG 3.34Å; L655-L658 PolarHBondContact O-N 3.31Å; L655-P662 HydrophobicContact CB-CG 4.02Å; L655-P662 HydrophobicContact CD1-CG 4.31Å; L655-P662 HydrophobicContact CD2-CG 4.44Å; L655-P662 HydrophobicContact CG-CG 4.49Å; L655-V667 HydrophobicContact CB-CG2 4.49Å; L655-V667 HydrophobicContact CD1-CB 4.45Å; L655-V667 HydrophobicContact CD1-CG1 4Å; L655-V667 HydrophobicContact CD1-CG2 3.71Å
656	S	96.6	Very high	93	Very high	71 Å²	71	54.4 Å²	54.4	50%	0.497	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.7	174.7	74.1	0	0	0	0	114.3	A652 Y653 F654 P661	A652-S656 WeakPolarHBondContact O-CB 3.17Å; A652-S656 PolarHBondContact O-N 2.92Å; A652-S656 VanDerWaalsContact O-N 3.09Å; A652-S656 PolarHBondContact O-OG 3.45Å; Y653-S656 PolarHBondContact O-OG 2.97Å; F654-S656 VanDerWaalsContact C-N 3.28Å; F654-S656 PolarHBondContact O-N 3.04Å; S656-P661 WeakPolarHBondContact O-CG 3.43Å
657	R	96.3	Very high	93.5	Very high	73 Å²	73	53.5 Å²	53.5	28%	0.275	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.4	-179.6	-59.5	166.8	69.7	-125.1	-6.4	113.6	T348 D352 Y377 Y653 F654 L655	T348-R657 HydrophobicContact CG2-CB 4.39Å; D352-R657 VanDerWaalsContact CG-NH2 3.28Å; D352-R657 IonicContact OD1-CZ 3.35Å; D352-R657 IonicContact OD1-NH1 3.3Å; D352-R657 IonicContact OD1-NH2 2.66Å; D352-R657 PolarHBondContact OD1-NH2 3.49Å; D352-R657 IonicContact OD2-CZ 2.72Å; D352-R657 IonicContact OD2-NH1 3.72Å; D352-R657 PolarHBondContact OD2-NH1 3.5Å; D352-R657 IonicContact OD2-NH2 3.64Å; D352-R657 PolarHBondContact OD2-NH2 2.85Å; D352-R657 VanDerWaalsContact OD2-NH2 3.1Å; Y377-R657 WeakPolarHBondContact CE2-O 3.09Å; Y377-R657 PolarHBondContact OH-O 2.87Å; Y653-R657 WeakPolarHBondContact O-CD 3.33Å; Y653-R657 WeakPolarHBondContact O-CG 3.45Å; F654-R657 WeakPolarHBondContact O-CB 3.47Å; F654-R657 PolarHBondContact O-N 3.25Å; L655-R657 PolarHBondContact O-N 3.49Å
658	L	95.9	Very high	93.7	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	28%	0.275	C	S	.	.	S	Bend	trans	-62.8	164.6	172.5	-59.8	-176.2	0	0	0	110.9	V345 T348 I631 F654 L655 D660	V345-L658 HydrophobicContact CG2-CD2 4.37Å; T348-L658 HydrophobicContact CG2-CD2 4.3Å; T348-L658 WeakPolarHBondContact OG1-CD2 3.39Å; I631-L658 HydrophobicContact CD1-CD1 3.76Å; I631-L658 HydrophobicContact CG1-CD1 3.72Å; F654-L658 HydrophobicContact CE1-CD2 3.97Å; L655-L658 HydrophobicContact CD2-CD1 3.77Å; L655-L658 HydrophobicContact CD2-CG 4.5Å; L655-L658 WeakPolarHBondContact O-CG 3.34Å; L655-L658 PolarHBondContact O-N 3.31Å; L658-D660 PolarHBondContact O-N 3.01Å
659	M	93.8	Very high	93.7	Very high	29 Å²	29	47.1 Å²	47.1	14%	0.143	27%	0.271	C	S	.	.	S	Bend	trans	-61	-43.5	177.8	-178.2	179.1	-59.3	0	0	112.6	M347 K373 F374 Y377	M347-M659 HydrophobicContact CE-CE 4.07Å; M347-M659 HydrophobicContact SD-CE 4.3Å; K373-M659 HydrophobicContact CB-SD 4.42Å; F374-M659 HydrophobicContact CB-CE 4.34Å; F374-M659 HydrophobicContact CD1-CE 3.46Å; F374-M659 VanDerWaalsContact CD1-CE 3.46Å; F374-M659 HydrophobicContact CD1-SD 4.2Å; F374-M659 HydrophobicContact CE1-CE 3.91Å; F374-M659 HydrophobicContact CE1-SD 4.18Å; F374-M659 HydrophobicContact CG-CE 3.97Å; Y377-M659 HydrophobicContact CD1-CE 3.98Å; Y377-M659 HydrophobicContact CD2-CB 3.95Å; Y377-M659 HydrophobicContact CD2-CG 4.25Å; Y377-M659 HydrophobicContact CE2-CB 4.17Å; Y377-M659 HydrophobicContact CG-CB 4.22Å; Y377-M659 HydrophobicContact CG-CE 3.85Å; Y377-M659 HydrophobicContact CG-CG 4.35Å
660	D	93.6	Very high	93.8	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.23	25%	0.251	C	S	.	.	S	Bend	trans	-124.8	99	169.8	-66.1	-91.8	0	0	0	107.8	R339 I631 L632 L658	R339-D660 IonicContact CZ-OD2 3.82Å; R339-D660 IonicContact NH1-OD2 3.79Å; R339-D660 PolarHBondContact NH1-OD2 3.3Å; R339-D660 IonicContact NH2-OD2 3.45Å; R339-D660 PolarHBondContact NH2-OD2 3.33Å; I631-D660 WeakPolarHBondContact CG2-O 3.37Å; L632-D660 HydrophobicContact CD1-CB 4.15Å; L632-D660 HydrophobicContact CD2-CB 4.37Å; L632-D660 HydrophobicContact CG-CB 4.44Å; L658-D660 PolarHBondContact O-N 3.01Å
661	P	95.4	Very high	93.8	Very high	63 Å²	63	43.8 Å²	43.8	41%	0.409	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-62.9	138.1	-179.9	-28.5	38.1	0	0	0	113.3	L632 S656	L632-P661 WeakPolarHBondContact CD2-O 3.38Å; S656-P661 WeakPolarHBondContact O-CG 3.43Å
662	P	94.4	Very high	93.5	Very high	11 Å²	11	50 Å²	50	7%	0.071	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-66.5	160.3	171.9	28.7	-34.3	0	0	0	112.1	I631 L636 L655 V667	I631-P662 HydrophobicContact CG1-CB 4.34Å; I631-P662 HydrophobicContact CG1-CG 4.27Å; L636-P662 HydrophobicContact CD1-CB 3.7Å; L636-P662 HydrophobicContact CD1-CG 3.81Å; L655-P662 HydrophobicContact CB-CG 4.02Å; L655-P662 HydrophobicContact CD1-CG 4.31Å; L655-P662 HydrophobicContact CD2-CG 4.44Å; L655-P662 HydrophobicContact CG-CG 4.49Å; P662-V667 HydrophobicContact CB-CG2 4.34Å; P662-V667 HydrophobicContact CG-CG2 3.81Å
663	S	92.9	Very high	93	Very high	55 Å²	55	48.8 Å²	48.8	39%	0.385	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-63.4	141.9	174.7	60.4	0	0	0	0	111.8	E665 A666 V667	S663-E665 PolarHBondContact O-N 3.49Å; S663-E665 VanDerWaalsContact O-N 3.16Å; S663-A666 PolarHBondContact O-N 3.34Å; S663-A666 WeakPolarHBondContact OG-CB 3.43Å; S663-A666 PolarHBondContact OG-N 3.3Å; S663-V667 PolarHBondContact O-N 2.94Å; S663-V667 VanDerWaalsContact O-N 3.16Å
664	N	92.8	Very high	92.7	Very high	113 Å²	113	41.8 Å²	41.8	60%	0.604	22%	0.217	S	C	*	.	H	α-helix	trans	-56.3	-34.6	179.1	-69.9	-37.8	0	0	0	111.8	V667 L668	N664-V667 PolarHBondContact O-N 3.25Å; N664-L668 WeakPolarHBondContact O-CB 3.45Å; N664-L668 VanDerWaalsContact O-CG 3.27Å; N664-L668 WeakPolarHBondContact O-CG 3.39Å; N664-L668 PolarHBondContact O-N 3.45Å
665	E	90.8	Very high	92.4	Very high	112 Å²	112	44.8 Å²	44.8	52%	0.523	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-44.1	176.9	-63.8	68.5	-151.1	0	0	111.5	T579 S663 L668 L669	T579-E665 HydrophobicContact CG2-CB 4.49Å; S663-E665 PolarHBondContact O-N 3.49Å; S663-E665 VanDerWaalsContact O-N 3.16Å; E665-L668 PolarHBondContact O-N 3.01Å; E665-L669 WeakPolarHBondContact O-CB 3.5Å; E665-L669 WeakPolarHBondContact O-CD1 3.41Å; E665-L669 WeakPolarHBondContact O-CG 3.16Å; E665-L669 PolarHBondContact O-N 2.89Å
666	A	90.1	Very high	91.8	Very high	7 Å²	7	47.1 Å²	47.1	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-39.3	177.3	0	0	0	0	0	111.8	F577 T579 L636 S663 S670	F577-A666 HydrophobicContact CD1-CB 4.36Å; F577-A666 HydrophobicContact CE1-CB 4.19Å; T579-A666 HydrophobicContact CG2-CB 3.89Å; L636-A666 HydrophobicContact CD1-CB 4.22Å; S663-A666 PolarHBondContact O-N 3.34Å; S663-A666 WeakPolarHBondContact OG-CB 3.43Å; S663-A666 PolarHBondContact OG-N 3.3Å; A666-S670 WeakPolarHBondContact O-CB 3.38Å; A666-S670 PolarHBondContact O-N 3.27Å; A666-S670 PolarHBondContact O-OG 3.38Å
667	V	94	Very high	91.2	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-51.4	175.3	179.9	0	0	0	0	110.8	L636 I651 A652 L655 P662 S663 N664 L669 S670 I671	L636-V667 HydrophobicContact CD1-CG2 4.02Å; I651-V667 HydrophobicContact CG2-CG1 4.28Å; A652-V667 HydrophobicContact CB-CG1 4.06Å; L655-V667 HydrophobicContact CB-CG2 4.49Å; L655-V667 HydrophobicContact CD1-CB 4.45Å; L655-V667 HydrophobicContact CD1-CG1 4Å; L655-V667 HydrophobicContact CD1-CG2 3.71Å; P662-V667 HydrophobicContact CB-CG2 4.34Å; P662-V667 HydrophobicContact CG-CG2 3.81Å; S663-V667 PolarHBondContact O-N 2.94Å; S663-V667 VanDerWaalsContact O-N 3.16Å; N664-V667 PolarHBondContact O-N 3.25Å; V667-L669 VanDerWaalsContact C-N 3.35Å; V667-L669 PolarHBondContact O-N 3.22Å; V667-S670 PolarHBondContact O-N 2.66Å; V667-I671 HydrophobicContact CG1-CD1 3.77Å; V667-I671 HydrophobicContact CG1-CG1 4.43Å; V667-I671 WeakPolarHBondContact O-CG1 3.06Å; V667-I671 PolarHBondContact O-N 3.25Å
668	L	92.1	Very high	90.6	Very high	100 Å²	100	43.5 Å²	43.5	52%	0.524	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-36	-179.6	-71.3	171.4	0	0	0	113	N664 E665 R672	N664-L668 WeakPolarHBondContact O-CB 3.45Å; N664-L668 VanDerWaalsContact O-CG 3.27Å; N664-L668 WeakPolarHBondContact O-CG 3.39Å; N664-L668 PolarHBondContact O-N 3.45Å; E665-L668 PolarHBondContact O-N 3.01Å; L668-R672 VanDerWaalsContact O-CB 3.27Å; L668-R672 WeakPolarHBondContact O-CB 3.39Å; L668-R672 PolarHBondContact O-N 3.22Å
669	L	89.1	Confident	90.3	Very high	25 Å²	25	43.2 Å²	43.2	13%	0.131	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-43.3	173	-74.3	165.8	0	0	0	111.5	F577 T579 E665 V667 R672 H673	F577-L669 HydrophobicContact CE1-CD1 4.34Å; F577-L669 HydrophobicContact CZ-CD1 4.2Å; T579-L669 HydrophobicContact CG2-CD1 4.25Å; T579-L669 WeakPolarHBondContact O-CD1 3.24Å; E665-L669 WeakPolarHBondContact O-CB 3.5Å; E665-L669 WeakPolarHBondContact O-CD1 3.41Å; E665-L669 WeakPolarHBondContact O-CG 3.16Å; E665-L669 PolarHBondContact O-N 2.89Å; V667-L669 VanDerWaalsContact C-N 3.35Å; V667-L669 PolarHBondContact O-N 3.22Å; L669-R672 PolarHBondContact O-N 3.32Å; L669-H673 WeakPolarHBondContact O-CB 3.32Å; L669-H673 PolarHBondContact O-N 2.91Å
670	S	90.4	Very high	90.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-41.5	-178.6	-54.9	0	0	0	0	112	L636 A666 V667 H673 L674	L636-S670 WeakPolarHBondContact CB-OG 3.37Å; L636-S670 PolarHBondContact N-OG 3Å; A666-S670 WeakPolarHBondContact O-CB 3.38Å; A666-S670 PolarHBondContact O-N 3.27Å; A666-S670 PolarHBondContact O-OG 3.38Å; V667-S670 PolarHBondContact O-N 2.66Å; S670-H673 PolarHBondContact O-N 3.47Å; S670-L674 WeakPolarHBondContact O-CG 3.49Å; S670-L674 PolarHBondContact O-N 2.98Å
671	I	92.4	Very high	90	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-46.8	173	-67	169.7	0	0	0	110.4	I651 V667 H673 L674 M675 E684	I651-I671 HydrophobicContact CB-CD1 4.03Å; I651-I671 HydrophobicContact CB-CG1 4.41Å; I651-I671 HydrophobicContact CD1-CD1 4.39Å; I651-I671 HydrophobicContact CD1-CG1 4.03Å; I651-I671 HydrophobicContact CG2-CD1 3.89Å; I651-I671 HydrophobicContact CG2-CG1 4.01Å; V667-I671 HydrophobicContact CG1-CD1 3.77Å; V667-I671 HydrophobicContact CG1-CG1 4.43Å; V667-I671 WeakPolarHBondContact O-CG1 3.06Å; V667-I671 PolarHBondContact O-N 3.25Å; I671-H673 VanDerWaalsContact C-N 3.34Å; I671-H673 PolarHBondContact O-N 3.32Å; I671-L674 PolarHBondContact O-N 2.74Å; I671-M675 HydrophobicContact CG2-CE 3.66Å; I671-M675 HydrophobicContact CG2-SD 4.28Å; I671-M675 WeakPolarHBondContact O-CG 3.3Å; I671-M675 PolarHBondContact O-N 3.37Å; I671-E684 HydrophobicContact CG2-CG 3.98Å
672	R	88.9	Confident	89.7	Confident	130 Å²	130	46.6 Å²	46.6	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-43.2	177.3	-173	-173.8	-55.3	143.6	9	112	L668 L669 L674 M675 E676	L668-R672 VanDerWaalsContact O-CB 3.27Å; L668-R672 WeakPolarHBondContact O-CB 3.39Å; L668-R672 PolarHBondContact O-N 3.22Å; L669-R672 PolarHBondContact O-N 3.32Å; R672-L674 VanDerWaalsContact C-N 3.33Å; R672-L674 PolarHBondContact O-N 3Å; R672-M675 WeakPolarHBondContact O-CB 3.1Å; R672-M675 PolarHBondContact O-N 3.11Å; R672-E676 HydrophobicContact CG-CG 4.45Å; R672-E676 WeakPolarHBondContact O-CG 3.22Å; R672-E676 PolarHBondContact O-N 3.36Å
673	H	85.1	Confident	89.5	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.116	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-37.4	178.4	-173	-164.4	0	0	0	111.6	E637 L669 S670 I671 E676 L677	E637-H673 HydrophobicContact CG-CB 4.13Å; E637-H673 IonicContact OE1-CE1 2.76Å; E637-H673 IonicContact OE1-CG 3.63Å; E637-H673 IonicContact OE1-ND1 3.3Å; E637-H673 PolarHBondContact OE1-ND1 3.41Å; L669-H673 WeakPolarHBondContact O-CB 3.32Å; L669-H673 PolarHBondContact O-N 2.91Å; S670-H673 PolarHBondContact O-N 3.47Å; I671-H673 VanDerWaalsContact C-N 3.34Å; I671-H673 PolarHBondContact O-N 3.32Å; H673-E676 PolarHBondContact O-N 3.33Å; H673-L677 WeakPolarHBondContact O-CB 3.29Å; H673-L677 VanDerWaalsContact O-CG 3.32Å; H673-L677 WeakPolarHBondContact O-CG 3.4Å; H673-L677 PolarHBondContact O-N 2.97Å
674	L	89.4	Confident	89.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-34.5	172.4	-71.8	178	0	0	0	113.5	E637 C640 L641 S670 I671 R672 L677 N678 A679 L680 P700	E637-L674 HydrophobicContact CB-CD2 3.98Å; E637-L674 HydrophobicContact CB-CG 4.15Å; E637-L674 HydrophobicContact CG-CG 4.42Å; C640-L674 HydrophobicContact CB-CD1 3.42Å; C640-L674 VanDerWaalsContact CB-CD1 3.42Å; L641-L674 HydrophobicContact CD1-CD2 4.07Å; L641-L674 HydrophobicContact CD2-CD1 3.8Å; L641-L674 HydrophobicContact CD2-CD2 3.95Å; L641-L674 HydrophobicContact CD2-CG 4.44Å; L641-L674 HydrophobicContact CG-CD1 3.95Å; L641-L674 HydrophobicContact CG-CD2 3.76Å; S670-L674 WeakPolarHBondContact O-CG 3.49Å; S670-L674 PolarHBondContact O-N 2.98Å; I671-L674 PolarHBondContact O-N 2.74Å; R672-L674 VanDerWaalsContact C-N 3.33Å; R672-L674 PolarHBondContact O-N 3Å; L674-L677 HydrophobicContact CD2-CD1 4.47Å; L674-L677 PolarHBondContact O-N 3.05Å; L674-N678 PolarHBondContact O-N 2.97Å; L674-A679 HydrophobicContact CB-CB 4.46Å; L674-A679 HydrophobicContact CD2-CB 4.09Å; L674-A679 PolarHBondContact O-N 2.89Å; L674-L680 HydrophobicContact CB-CB 4.39Å; L674-L680 HydrophobicContact CB-CD1 3.83Å; L674-L680 HydrophobicContact CB-CG 3.89Å; L674-L680 HydrophobicContact CD1-CD1 3.75Å; L674-L680 HydrophobicContact CD1-CG 4.19Å; L674-L680 HydrophobicContact CG-CD1 4.49Å; L674-L680 PolarHBondContact O-N 2.68Å; L674-P700 HydrophobicContact CD2-CB 4.16Å; L674-P700 HydrophobicContact CD2-CG 4.04Å
675	M	89.3	Confident	89.3	Confident	63 Å²	63	52.2 Å²	52.2	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-44.1	170.2	-66.7	169.9	175.3	0	0	111.5	I671 R672 L677 N678 L680 D681 E684	I671-M675 HydrophobicContact CG2-CE 3.66Å; I671-M675 HydrophobicContact CG2-SD 4.28Å; I671-M675 WeakPolarHBondContact O-CG 3.3Å; I671-M675 PolarHBondContact O-N 3.37Å; R672-M675 WeakPolarHBondContact O-CB 3.1Å; R672-M675 PolarHBondContact O-N 3.11Å; M675-L677 PolarHBondContact O-N 2.98Å; M675-N678 WeakPolarHBondContact O-CA 3.39Å; M675-N678 PolarHBondContact O-N 3.4Å; M675-L680 HydrophobicContact CG-CB 4.24Å; M675-D681 WeakPolarHBondContact CE-O 3.41Å; M675-E684 HydrophobicContact CE-CG 3.72Å
676	E	84.8	Confident	89.3	Confident	51 Å²	51	48.9 Å²	48.9	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-26.8	175.7	-70.5	170.3	157.4	0	0	112.3	R672 H673 N678 P841	R672-E676 HydrophobicContact CG-CG 4.45Å; R672-E676 WeakPolarHBondContact O-CG 3.22Å; R672-E676 PolarHBondContact O-N 3.36Å; H673-E676 PolarHBondContact O-N 3.33Å; E676-N678 VanDerWaalsContact C-N 3.32Å; E676-P841 HydrophobicContact CB-CG 4.05Å
677	L	83.1	Confident	89.3	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6	170.9	-74.6	170	0	0	0	113.9	H673 L674 M675 A679 P700 H701 K704 Y840	H673-L677 WeakPolarHBondContact O-CB 3.29Å; H673-L677 VanDerWaalsContact O-CG 3.32Å; H673-L677 WeakPolarHBondContact O-CG 3.4Å; H673-L677 PolarHBondContact O-N 2.97Å; L674-L677 HydrophobicContact CD2-CD1 4.47Å; L674-L677 PolarHBondContact O-N 3.05Å; M675-L677 PolarHBondContact O-N 2.98Å; L677-A679 HydrophobicContact CB-CB 4.45Å; L677-A679 PolarHBondContact O-N 3.14Å; L677-P700 HydrophobicContact CD1-CB 4.32Å; L677-H701 HydrophobicContact CD1-CB 4.42Å; L677-H701 HydrophobicContact CD2-CB 4.41Å; L677-K704 HydrophobicContact CD2-CD 4.25Å; L677-K704 PolarHBondContact O-NZ 3.34Å; L677-Y840 VanDerWaalsContact CD2-O 3.31Å; L677-Y840 WeakPolarHBondContact CD2-O 3.21Å
678	N	84.8	Confident	89.1	Confident	67 Å²	67	50.1 Å²	50.1	36%	0.358	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	32.5	-169	-160.9	45.7	0	0	0	113.3	L674 M675 E676 T687 L689	L674-N678 PolarHBondContact O-N 2.97Å; M675-N678 WeakPolarHBondContact O-CA 3.39Å; M675-N678 PolarHBondContact O-N 3.4Å; E676-N678 VanDerWaalsContact C-N 3.32Å; N678-T687 WeakPolarHBondContact O-CG2 3.44Å; N678-T687 PolarHBondContact O-OG1 2.73Å; N678-L689 HydrophobicContact CB-CD2 4.47Å
679	A	89.3	Confident	89	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-92.3	-28.3	174.4	0	0	0	0	0	112.1	L641 L674 L677 T687 G690 L693	L641-A679 HydrophobicContact CD1-CB 4.46Å; L641-A679 HydrophobicContact CD2-CB 4.12Å; L674-A679 HydrophobicContact CB-CB 4.46Å; L674-A679 HydrophobicContact CD2-CB 4.09Å; L674-A679 PolarHBondContact O-N 2.89Å; L677-A679 HydrophobicContact CB-CB 4.45Å; L677-A679 PolarHBondContact O-N 3.14Å; A679-T687 PolarHBondContact O-N 2.94Å; A679-T687 PolarHBondContact O-OG1 2.9Å; A679-G690 WeakPolarHBondContact O-CA 3.34Å; A679-L693 HydrophobicContact CB-CD1 3.92Å
680	L	91.2	Very high	89	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-119.7	147.1	168.5	-62	179.1	0	0	0	110.1	L641 K644 I651 L674 M675 E685 L686	L641-L680 HydrophobicContact CD2-CD2 4.15Å; L641-L680 HydrophobicContact CD2-CG 4.4Å; K644-L680 HydrophobicContact CG-CD2 4.34Å; I651-L680 HydrophobicContact CD1-CD1 3.72Å; L674-L680 HydrophobicContact CB-CB 4.39Å; L674-L680 HydrophobicContact CB-CD1 3.83Å; L674-L680 HydrophobicContact CB-CG 3.89Å; L674-L680 HydrophobicContact CD1-CD1 3.75Å; L674-L680 HydrophobicContact CD1-CG 4.19Å; L674-L680 HydrophobicContact CG-CD1 4.49Å; L674-L680 PolarHBondContact O-N 2.68Å; M675-L680 HydrophobicContact CG-CB 4.24Å; L680-E685 CarbonylContact C-O 3.6Å; L680-E685 VanDerWaalsContact CA-O 3.26Å; L680-E685 WeakPolarHBondContact CA-O 3.46Å; L680-L686 HydrophobicContact CD2-CD2 3.9Å; L680-L686 HydrophobicContact CD2-CG 4.38Å
681	D	89.3	Confident	88.8	Confident	55 Å²	55	45.6 Å²	45.6	29%	0.294	22%	0.216	S	C	.	.			trans	-81.6	-175	170.3	71.8	12.1	0	0	0	112.2	M675 Q683 E684 E685 T687	M675-D681 WeakPolarHBondContact CE-O 3.41Å; D681-Q683 PolarHBondContact O-N 2.69Å; D681-Q683 VanDerWaalsContact OD1-C 3.3Å; D681-Q683 VanDerWaalsContact OD1-CA 3.25Å; D681-Q683 WeakPolarHBondContact OD1-CA 3.47Å; D681-Q683 VanDerWaalsContact OD1-CB 3.3Å; D681-Q683 WeakPolarHBondContact OD1-CB 3.31Å; D681-Q683 PolarHBondContact OD1-N 2.66Å; D681-E684 PolarHBondContact O-N 2.73Å; D681-E684 PolarHBondContact OD1-N 2.67Å; D681-E684 VanDerWaalsContact OD1-N 3.1Å; D681-E685 PolarHBondContact N-O 3.39Å; D681-E685 PolarHBondContact OD1-N 2.66Å; D681-T687 HydrophobicContact CB-CG2 4.34Å
682	K	88.6	Confident	88.6	Confident	150 Å²	150	45.4 Å²	45.4	65%	0.652	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-2.9	-179.6	-65.5	-178.4	177.9	177.5	0	113.2	D916	K682-D916 IonicContact NZ-OD1 2.66Å; K682-D916 IonicContact NZ-OD2 3.66Å; K682-D916 PolarHBondContact NZ-OD2 3.39Å
683	Q	90.4	Very high	88.5	Confident	138 Å²	138	39.3 Å²	39.3	65%	0.645	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	5.9	175.5	-70.2	68.2	25.2	0	0	111.4	D681 E685	D681-Q683 PolarHBondContact O-N 2.69Å; D681-Q683 VanDerWaalsContact OD1-C 3.3Å; D681-Q683 VanDerWaalsContact OD1-CA 3.25Å; D681-Q683 WeakPolarHBondContact OD1-CA 3.47Å; D681-Q683 VanDerWaalsContact OD1-CB 3.3Å; D681-Q683 WeakPolarHBondContact OD1-CB 3.31Å; D681-Q683 PolarHBondContact OD1-N 2.66Å; Q683-E685 PolarHBondContact O-N 2.94Å
684	E	91.4	Very high	88.4	Confident	58 Å²	58	38.8 Å²	38.8	27%	0.271	19%	0.192	S	C	.	.	S	Bend	trans	65.5	16.2	-172.8	-53.4	-177	-173.7	0	0	114.5	K644 I671 M675 D681	K644-E684 WeakPolarHBondContact CD-O 3.49Å; K644-E684 WeakPolarHBondContact CE-O 3.43Å; K644-E684 PolarHBondContact NZ-O 2.93Å; I671-E684 HydrophobicContact CG2-CG 3.98Å; M675-E684 HydrophobicContact CE-CG 3.72Å; D681-E684 PolarHBondContact O-N 2.73Å; D681-E684 PolarHBondContact OD1-N 2.67Å; D681-E684 VanDerWaalsContact OD1-N 3.1Å
685	E	91.2	Very high	87.9	Confident	101 Å²	101	43.7 Å²	43.7	47%	0.472	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-91.5	154.7	177.6	-64.9	-52.5	142.9	0	0	112.7	K644 L680 D681 Q683 T687	K644-E685 IonicContact NZ-OE1 3.63Å; K644-E685 PolarHBondContact NZ-OE1 3.39Å; K644-E685 IonicContact NZ-OE2 2.65Å; K644-E685 PolarHBondContact NZ-OE2 2.74Å; L680-E685 CarbonylContact C-O 3.6Å; L680-E685 VanDerWaalsContact CA-O 3.26Å; L680-E685 WeakPolarHBondContact CA-O 3.46Å; D681-E685 PolarHBondContact N-O 3.39Å; D681-E685 PolarHBondContact OD1-N 2.66Å; Q683-E685 PolarHBondContact O-N 2.94Å; E685-T687 PolarHBondContact O-N 3.14Å
686	L	90.7	Very high	87.5	Confident	41 Å²	41	41 Å²	41	22%	0.215	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-67.7	123.8	-176.7	-72.1	167.7	0	0	0	111.1	L641 K644 I645 L680 V691	L641-L686 HydrophobicContact CD2-CD2 3.71Å; K644-L686 HydrophobicContact CB-CD1 3.94Å; K644-L686 HydrophobicContact CB-CD2 4.06Å; K644-L686 HydrophobicContact CB-CG 3.83Å; I645-L686 HydrophobicContact CB-CD1 4.34Å; I645-L686 HydrophobicContact CD1-CD1 4.12Å; L680-L686 HydrophobicContact CD2-CD2 3.9Å; L680-L686 HydrophobicContact CD2-CG 4.38Å; L686-V691 HydrophobicContact CB-CG2 3.94Å; L686-V691 HydrophobicContact CD1-CG2 4.33Å
687	T	90.8	Very high	87	Confident	13 Å²	13	40.7 Å²	40.7	8%	0.08	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-71.4	167.3	166.6	69.2	0	0	0	0	110.4	N678 A679 D681 E685 L689 G690 V691	N678-T687 WeakPolarHBondContact O-CG2 3.44Å; N678-T687 PolarHBondContact O-OG1 2.73Å; A679-T687 PolarHBondContact O-N 2.94Å; A679-T687 PolarHBondContact O-OG1 2.9Å; D681-T687 HydrophobicContact CB-CG2 4.34Å; E685-T687 PolarHBondContact O-N 3.14Å; T687-L689 PolarHBondContact O-N 3.21Å; T687-L689 PolarHBondContact OG1-N 3.49Å; T687-G690 WeakPolarHBondContact O-CA 2.95Å; T687-G690 PolarHBondContact O-N 2.87Å; T687-G690 PolarHBondContact OG1-N 2.95Å; T687-V691 PolarHBondContact O-N 3.17Å
688	P	89.3	Confident	86.8	Confident	26 Å²	26	41.4 Å²	41.4	17%	0.169	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-38.5	174.1	-25.2	34.9	0	0	0	112.5	V691 H692 L957 Q958 I961	P688-V691 PolarHBondContact O-N 3.18Å; P688-H692 PolarHBondContact O-CD2 3Å; P688-H692 PolarHBondContact O-N 3.4Å; P688-L957 HydrophobicContact CB-CB 3.96Å; P688-Q958 HydrophobicContact CB-CB 4.13Å; P688-Q958 HydrophobicContact CG-CB 4.04Å; P688-I961 HydrophobicContact CB-CD1 3.94Å
689	L	88.8	Confident	86.5	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-48.9	170.2	177.5	60	0	0	0	111.2	N678 T687 V691 H692 L693 K704 L707 L957	N678-L689 HydrophobicContact CB-CD2 4.47Å; T687-L689 PolarHBondContact O-N 3.21Å; T687-L689 PolarHBondContact OG1-N 3.49Å; L689-V691 VanDerWaalsContact C-N 3.3Å; L689-V691 PolarHBondContact O-N 2.84Å; L689-H692 PolarHBondContact O-N 2.85Å; L689-H692 VanDerWaalsContact O-N 3.09Å; L689-L693 HydrophobicContact CD1-CD1 4.33Å; L689-L693 HydrophobicContact CD1-CD2 4.25Å; L689-L693 HydrophobicContact CD1-CG 4.09Å; L689-L693 HydrophobicContact CG-CD1 4.04Å; L689-L693 HydrophobicContact CG-CG 4.21Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 3.25Å; L689-K704 HydrophobicContact CD2-CD 4.05Å; L689-K704 HydrophobicContact CD2-CG 4.38Å; L689-L707 HydrophobicContact CD1-CD2 3.56Å; L689-L957 HydrophobicContact CB-CD1 4.1Å; L689-L957 HydrophobicContact CD1-CD1 4.4Å
690	G	89.6	Confident	86.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.6	-39.7	178.8	0	0	0	0	0	114	A679 T687 L693 A694	A679-G690 WeakPolarHBondContact O-CA 3.34Å; T687-G690 WeakPolarHBondContact O-CA 2.95Å; T687-G690 PolarHBondContact O-N 2.87Å; T687-G690 PolarHBondContact OG1-N 2.95Å; G690-L693 PolarHBondContact O-N 3.19Å; G690-A694 WeakPolarHBondContact O-CB 3.39Å; G690-A694 PolarHBondContact O-N 2.9Å
691	V	87.2	Confident	86.2	Confident	25 Å²	25	43.4 Å²	43.4	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-45.5	174.7	175.3	0	0	0	0	111.4	I645 L686 T687 P688 L689 A694 R695 I961	I645-V691 HydrophobicContact CD1-CG1 4.41Å; L686-V691 HydrophobicContact CB-CG2 3.94Å; L686-V691 HydrophobicContact CD1-CG2 4.33Å; T687-V691 PolarHBondContact O-N 3.17Å; P688-V691 PolarHBondContact O-N 3.18Å; L689-V691 VanDerWaalsContact C-N 3.3Å; L689-V691 PolarHBondContact O-N 2.84Å; V691-A694 PolarHBondContact O-N 3.19Å; V691-R695 WeakPolarHBondContact O-CG 3.36Å; V691-R695 PolarHBondContact O-N 2.94Å; V691-I961 HydrophobicContact CB-CD1 3.75Å; V691-I961 HydrophobicContact CB-CG1 4.41Å; V691-I961 HydrophobicContact CG1-CD1 3.92Å; V691-I961 HydrophobicContact CG1-CG1 4.16Å; V691-I961 HydrophobicContact CG1-CG2 4.17Å; V691-I961 HydrophobicContact CG2-CD1 4.08Å
692	H	87.1	Confident	86.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-40.3	176.6	-68.9	-58.2	0	0	0	112.1	P688 L689 A694 R695 L696 L707 F810 L957 K960 I961	P688-H692 PolarHBondContact O-CD2 3Å; P688-H692 PolarHBondContact O-N 3.4Å; L689-H692 PolarHBondContact O-N 2.85Å; L689-H692 VanDerWaalsContact O-N 3.09Å; H692-A694 PolarHBondContact O-N 2.69Å; H692-R695 PolarHBondContact O-N 3.18Å; H692-L696 WeakPolarHBondContact O-CG 3.33Å; H692-L696 PolarHBondContact O-N 3.01Å; H692-L707 HydrophobicContact CB-CD2 4.2Å; H692-F810 AromaticContact CD2-CZ 3.94Å; H692-F810 AromaticContact CE1-CE2 3.8Å; H692-F810 AromaticContact CE1-CZ 3.65Å; H692-F810 AromaticContact CG-CE2 4Å; H692-F810 AromaticContact CG-CZ 3.83Å; H692-F810 AromaticContact ND1-CE2 3.52Å; H692-F810 AromaticContact ND1-CZ 3.67Å; H692-F810 AromaticContact NE2-CZ 3.83Å; H692-L957 PolarHBondContact NE2-O 3.21Å; H692-K960 PolarHBondContact CE1-O 2.87Å; H692-I961 VanDerWaalsContact NE2-CG1 3.35Å; H692-I961 WeakPolarHBondContact NE2-CG1 3.39Å
693	L	88	Confident	86.4	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-42.5	175.5	-64.4	-176.1	0	0	0	112.2	L641 A679 L689 G690 R695 L696 P700 K704	L641-L693 HydrophobicContact CD1-CB 3.94Å; A679-L693 HydrophobicContact CB-CD1 3.92Å; L689-L693 HydrophobicContact CD1-CD1 4.33Å; L689-L693 HydrophobicContact CD1-CD2 4.25Å; L689-L693 HydrophobicContact CD1-CG 4.09Å; L689-L693 HydrophobicContact CG-CD1 4.04Å; L689-L693 HydrophobicContact CG-CG 4.21Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 3.25Å; G690-L693 PolarHBondContact O-N 3.19Å; L693-R695 VanDerWaalsContact C-N 3.26Å; L693-R695 PolarHBondContact O-N 3.04Å; L693-L696 PolarHBondContact O-N 3.32Å; L693-L696 VanDerWaalsContact O-N 3.13Å; L693-L696 VanDerWaalsContact O-O 3.1Å; L693-P700 HydrophobicContact CD1-CB 4.31Å; L693-K704 HydrophobicContact CD1-CB 4.38Å; L693-K704 HydrophobicContact CD2-CB 3.92Å
694	A	82.9	Confident	86.6	Confident	14 Å²	14	27.5 Å²	27.5	12%	0.116	14%	0.138	C	C	.	.	H	α-helix	trans	-71.7	-17.5	179.6	0	0	0	0	0	114.1	L641 I645 G690 V691 H692	L641-A694 HydrophobicContact CB-CB 4.2Å; I645-A694 HydrophobicContact CB-CB 3.69Å; I645-A694 HydrophobicContact CD1-CB 4.21Å; I645-A694 HydrophobicContact CG1-CB 3.95Å; I645-A694 HydrophobicContact CG2-CB 4Å; G690-A694 WeakPolarHBondContact O-CB 3.39Å; G690-A694 PolarHBondContact O-N 2.9Å; V691-A694 PolarHBondContact O-N 3.19Å; H692-A694 PolarHBondContact O-N 2.69Å
695	R	79.3	Confident	86.8	Confident	103 Å²	103	24.8 Å²	24.8	39%	0.389	13%	0.126	S	C	.	.	H	α-helix	trans	-80.5	-25.4	169.7	-71.5	170.9	176.1	-176.3	-2.2	112.6	V691 H692 L693	V691-R695 WeakPolarHBondContact O-CG 3.36Å; V691-R695 PolarHBondContact O-N 2.94Å; H692-R695 PolarHBondContact O-N 3.18Å; L693-R695 VanDerWaalsContact C-N 3.26Å; L693-R695 PolarHBondContact O-N 3.04Å
696	L	80.3	Confident	87	Confident	6 Å²	6	20 Å²	20	3%	0.031	10%	0.103	C	C	.	.	S	Bend	trans	-83.7	124.1	177.3	-66	172.5	0	0	0	109.6	H692 L693 V698 I706 H804 A808	H692-L696 WeakPolarHBondContact O-CG 3.33Å; H692-L696 PolarHBondContact O-N 3.01Å; L693-L696 PolarHBondContact O-N 3.32Å; L693-L696 VanDerWaalsContact O-N 3.13Å; L693-L696 VanDerWaalsContact O-O 3.1Å; L696-V698 HydrophobicContact CB-CG2 4.03Å; L696-V698 PolarHBondContact O-N 3.19Å; L696-I706 HydrophobicContact CD1-CD1 4.38Å; L696-I706 HydrophobicContact CD1-CG1 4.34Å; L696-H804 HydrophobicContact CD2-CB 3.98Å; L696-A808 HydrophobicContact CD2-CB 4.31Å
697	P	73.2	Confident	87.3	Confident	44 Å²	44	18.1 Å²	18.1	29%	0.286	9%	0.093	S	C	.	.	S	Bend	trans	-82.9	59	-177.4	23.4	-17.3	0	0	0	111.5	R295	R295-P697 PolarHBondContact NH1-O 2.83Å; R295-P697 PolarHBondContact NH2-O 2.96Å
698	V	79	Confident	87.5	Confident	17 Å²	17	17.7 Å²	17.7	10%	0.103	9%	0.091	C	C	.	.	S	Bend	trans	-143	164.4	-179.6	-60.9	0	0	0	0	109.4	L696 I702 G703 I706 F801	L696-V698 HydrophobicContact CB-CG2 4.03Å; L696-V698 PolarHBondContact O-N 3.19Å; V698-I702 HydrophobicContact CB-CB 4.48Å; V698-I702 HydrophobicContact CB-CG2 4.37Å; V698-I702 HydrophobicContact CG2-CB 4.41Å; V698-I702 HydrophobicContact CG2-CG2 4.39Å; V698-G703 VanDerWaalsContact CG2-CA 3.45Å; V698-I706 HydrophobicContact CG2-CD1 4.45Å; V698-F801 HydrophobicContact CG1-CD1 4.01Å; V698-F801 HydrophobicContact CG1-CE1 3.6Å
699	E	79.5	Confident	87.9	Confident	93 Å²	93	16.5 Å²	16.5	44%	0.435	8%	0.083	S	C	.	.			trans	-55.3	139.8	172.4	-69.8	-177.4	-118	0	0	111	H701 I702 G703	E699-H701 PolarHBondContact O-N 3Å; E699-H701 IonicContact OE2-CE1 3.19Å; E699-H701 PolarHBondContact OE2-CE1 3.38Å; E699-H701 IonicContact OE2-ND1 2.81Å; E699-H701 PolarHBondContact OE2-ND1 3.47Å; E699-I702 HydrophobicContact CB-CG1 4.2Å; E699-I702 WeakPolarHBondContact O-CA 3.43Å; E699-I702 WeakPolarHBondContact O-CB 3.46Å; E699-I702 PolarHBondContact O-N 3.41Å; E699-G703 PolarHBondContact O-N 2.75Å
700	P	85.7	Confident	88.3	Confident	6 Å²	6	16.5 Å²	16.5	4%	0.039	8%	0.083	C	C	.	.	H	α-helix	trans	-56.6	-35.1	-169.3	-26.8	34.5	0	0	0	113.9	E637 L641 L674 L677 L693 G703 K704	E637-P700 HydrophobicContact CB-CG 4.31Å; L641-P700 HydrophobicContact CD1-CB 3.85Å; L641-P700 HydrophobicContact CD1-CG 3.67Å; L641-P700 HydrophobicContact CG-CG 4.35Å; L674-P700 HydrophobicContact CD2-CB 4.16Å; L674-P700 HydrophobicContact CD2-CG 4.04Å; L677-P700 HydrophobicContact CD1-CB 4.32Å; L693-P700 HydrophobicContact CD1-CB 4.31Å; P700-G703 PolarHBondContact O-N 3.46Å; P700-K704 WeakPolarHBondContact O-CB 3.45Å; P700-K704 PolarHBondContact O-N 3.08Å
701	H	87.1	Confident	88.5	Confident	13 Å²	13	16.6 Å²	16.6	6%	0.06	8%	0.084	C	C	.	.	H	α-helix	trans	-70.1	-35.9	-179.5	84.3	-96.8	0	0	0	112.2	L677 E699 M705 G838 H889	L677-H701 HydrophobicContact CD1-CB 4.42Å; L677-H701 HydrophobicContact CD2-CB 4.41Å; E699-H701 PolarHBondContact O-N 3Å; E699-H701 IonicContact OE2-CE1 3.19Å; E699-H701 PolarHBondContact OE2-CE1 3.38Å; E699-H701 IonicContact OE2-ND1 2.81Å; E699-H701 PolarHBondContact OE2-ND1 3.47Å; H701-M705 PolarHBondContact O-N 2.85Å; H701-G838 WeakPolarHBondContact CB-O 3.38Å; H701-G838 VanDerWaalsContact O-CA 3.32Å; H701-G838 WeakPolarHBondContact O-CA 3.45Å; H701-H889 AromaticContact NE2-CD2 3.58Å; H701-H889 AromaticContact NE2-NE2 3.47Å; H701-H889 PolarHBondContact NE2-NE2 3.19Å
702	I	91.2	Very high	89	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-71.2	-43.9	170.8	-58	-64	0	0	0	110.2	V698 E699 K704 M705 I706 A722 L725 F801	V698-I702 HydrophobicContact CB-CB 4.48Å; V698-I702 HydrophobicContact CB-CG2 4.37Å; V698-I702 HydrophobicContact CG2-CB 4.41Å; V698-I702 HydrophobicContact CG2-CG2 4.39Å; E699-I702 HydrophobicContact CB-CG1 4.2Å; E699-I702 WeakPolarHBondContact O-CA 3.43Å; E699-I702 WeakPolarHBondContact O-CB 3.46Å; E699-I702 PolarHBondContact O-N 3.41Å; I702-K704 VanDerWaalsContact C-N 3.3Å; I702-K704 PolarHBondContact O-N 3.13Å; I702-M705 WeakPolarHBondContact O-CB 3.31Å; I702-M705 PolarHBondContact O-N 3.42Å; I702-M705 VanDerWaalsContact O-N 3.11Å; I702-I706 HydrophobicContact CG2-CG2 4.4Å; I702-I706 PolarHBondContact O-N 2.85Å; I702-A722 HydrophobicContact CG2-CB 3.95Å; I702-L725 HydrophobicContact CD1-CB 3.68Å; I702-L725 HydrophobicContact CD1-CD1 4.14Å; I702-F801 HydrophobicContact CG2-CZ 4.39Å
703	G	91.9	Very high	89.4	Confident	1 Å²	1	15.7 Å²	15.7	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-54.1	-47.5	175.9	0	0	0	0	0	111.6	V698 E699 P700 M705 I706 L707	V698-G703 VanDerWaalsContact CG2-CA 3.45Å; E699-G703 PolarHBondContact O-N 2.75Å; P700-G703 PolarHBondContact O-N 3.46Å; G703-M705 VanDerWaalsContact C-N 3.34Å; G703-M705 PolarHBondContact O-N 3.12Å; G703-I706 WeakPolarHBondContact O-CG1 3.49Å; G703-I706 PolarHBondContact O-N 3.2Å; G703-L707 WeakPolarHBondContact O-CB 3.23Å; G703-L707 PolarHBondContact O-N 3.25Å
704	K	93.7	Very high	89.9	Confident	7 Å²	7	15.5 Å²	15.5	3%	0.03	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-42	177.2	-171.2	171.8	174.3	-175.3	0	111.5	L677 L689 L693 P700 I702 F708 A837	L677-K704 HydrophobicContact CD2-CD 4.25Å; L677-K704 PolarHBondContact O-NZ 3.34Å; L689-K704 HydrophobicContact CD2-CD 4.05Å; L689-K704 HydrophobicContact CD2-CG 4.38Å; L693-K704 HydrophobicContact CD1-CB 4.38Å; L693-K704 HydrophobicContact CD2-CB 3.92Å; P700-K704 WeakPolarHBondContact O-CB 3.45Å; P700-K704 PolarHBondContact O-N 3.08Å; I702-K704 VanDerWaalsContact C-N 3.3Å; I702-K704 PolarHBondContact O-N 3.13Å; K704-F708 HydrophobicContact CG-CD2 3.92Å; K704-F708 HydrophobicContact CG-CE2 3.85Å; K704-F708 VanDerWaalsContact O-CD2 3.25Å; K704-F708 WeakPolarHBondContact O-CD2 3.25Å; K704-F708 PolarHBondContact O-N 3.36Å; K704-F708 VanDerWaalsContact O-N 3.12Å; K704-A837 WeakPolarHBondContact CD-O 3.44Å; K704-A837 WeakPolarHBondContact CE-O 3.11Å
705	M	96.1	Very high	90.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-61.1	-52	176.5	-160.7	-178.6	-66.2	0	0	112	H701 I702 G703 L707 F708 G709 V718 I721 L725 V834 I835 L839	H701-M705 PolarHBondContact O-N 2.85Å; I702-M705 WeakPolarHBondContact O-CB 3.31Å; I702-M705 PolarHBondContact O-N 3.42Å; I702-M705 VanDerWaalsContact O-N 3.11Å; G703-M705 VanDerWaalsContact C-N 3.34Å; G703-M705 PolarHBondContact O-N 3.12Å; M705-L707 VanDerWaalsContact C-N 3.34Å; M705-L707 PolarHBondContact O-N 2.99Å; M705-F708 PolarHBondContact O-N 3.46Å; M705-G709 PolarHBondContact O-N 2.67Å; M705-V718 HydrophobicContact CG-CG1 4.02Å; M705-V718 WeakPolarHBondContact O-CG1 3.34Å; M705-I721 HydrophobicContact SD-CG2 3.88Å; M705-L725 HydrophobicContact CE-CD1 3.67Å; M705-L725 HydrophobicContact SD-CD1 4.28Å; M705-V834 HydrophobicContact CG-CG1 3.93Å; M705-V834 WeakPolarHBondContact O-CG1 3.46Å; M705-I835 HydrophobicContact CE-CG2 4.36Å; M705-L839 HydrophobicContact CE-CD2 3.99Å; M705-L839 HydrophobicContact CE-CG 3.92Å
706	I	96.8	Very high	91.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.2	-32.5	-177.6	67.7	174.3	0	0	0	112.3	L696 V698 I702 G703 G709 A710 L719 A722 F801 L805	L696-I706 HydrophobicContact CD1-CD1 4.38Å; L696-I706 HydrophobicContact CD1-CG1 4.34Å; V698-I706 HydrophobicContact CG2-CD1 4.45Å; I702-I706 HydrophobicContact CG2-CG2 4.4Å; I702-I706 PolarHBondContact O-N 2.85Å; G703-I706 WeakPolarHBondContact O-CG1 3.49Å; G703-I706 PolarHBondContact O-N 3.2Å; I706-G709 PolarHBondContact O-N 2.84Å; I706-A710 PolarHBondContact O-N 2.94Å; I706-L719 HydrophobicContact CB-CD2 3.68Å; I706-L719 HydrophobicContact CG2-CD2 3.47Å; I706-L719 VanDerWaalsContact CG2-CD2 3.47Å; I706-A722 HydrophobicContact CG2-CB 3.45Å; I706-A722 VanDerWaalsContact CG2-CB 3.45Å; I706-F801 HydrophobicContact CD1-CB 4.09Å; I706-F801 HydrophobicContact CD1-CD1 4.13Å; I706-F801 HydrophobicContact CD1-CG 4.24Å; I706-F801 HydrophobicContact CG2-CD2 4.43Å; I706-F801 HydrophobicContact CG2-CG 4.47Å; I706-L805 HydrophobicContact CB-CD1 4.22Å; I706-L805 HydrophobicContact CD1-CG 4.45Å; I706-L805 HydrophobicContact CG1-CD2 4.34Å
707	L	95.6	Very high	92.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-48.6	175.2	-168	73.1	0	0	0	111.6	L689 H692 G703 M705 G709 A710 L711 L805 F810	L689-L707 HydrophobicContact CD1-CD2 3.56Å; H692-L707 HydrophobicContact CB-CD2 4.2Å; G703-L707 WeakPolarHBondContact O-CB 3.23Å; G703-L707 PolarHBondContact O-N 3.25Å; M705-L707 VanDerWaalsContact C-N 3.34Å; M705-L707 PolarHBondContact O-N 2.99Å; L707-G709 VanDerWaalsContact C-N 3.31Å; L707-G709 PolarHBondContact O-N 3.23Å; L707-A710 PolarHBondContact O-N 2.97Å; L707-L711 HydrophobicContact CG-CD1 4.44Å; L707-L711 WeakPolarHBondContact O-CG 3.24Å; L707-L711 PolarHBondContact O-N 3.44Å; L707-L805 HydrophobicContact CD1-CD2 4.31Å; L707-F810 HydrophobicContact CD1-CD1 3.61Å; L707-F810 HydrophobicContact CD1-CD2 3.7Å; L707-F810 HydrophobicContact CD1-CE1 3.56Å; L707-F810 HydrophobicContact CD1-CE2 3.66Å; L707-F810 HydrophobicContact CD1-CG 3.69Å; L707-F810 HydrophobicContact CD1-CZ 3.6Å; L707-F810 HydrophobicContact CG-CD1 4.43Å; L707-F810 HydrophobicContact CG-CE1 4.25Å
708	F	96.2	Very high	93.5	Very high	5 Å²	5	8.2 Å²	8.2	2%	0.022	4%	0.042	C	C	.	.	H	α-helix	trans	-70.8	-26.6	175	-77	-64.3	0	0	0	113.1	K704 M705 A710 L711 F712 V834 A837 F913 L953	K704-F708 HydrophobicContact CG-CD2 3.92Å; K704-F708 HydrophobicContact CG-CE2 3.85Å; K704-F708 VanDerWaalsContact O-CD2 3.25Å; K704-F708 WeakPolarHBondContact O-CD2 3.25Å; K704-F708 PolarHBondContact O-N 3.36Å; K704-F708 VanDerWaalsContact O-N 3.12Å; M705-F708 PolarHBondContact O-N 3.46Å; F708-A710 VanDerWaalsContact C-N 3.34Å; F708-L711 HydrophobicContact CD1-CD1 3.97Å; F708-L711 HydrophobicContact CE1-CD1 4.05Å; F708-L711 PolarHBondContact O-N 3.24Å; F708-F712 HydrophobicContact CB-CD2 4.14Å; F708-F712 HydrophobicContact CB-CE2 3.97Å; F708-F712 HydrophobicContact CD1-CD2 4.27Å; F708-F712 AromaticContact CD1-CE2 3.46Å; F708-F712 HydrophobicContact CD1-CE2 3.46Å; F708-F712 VanDerWaalsContact CD1-CE2 3.46Å; F708-F712 AromaticContact CD1-CZ 3.82Å; F708-F712 HydrophobicContact CD1-CZ 3.82Å; F708-F712 HydrophobicContact CE1-CE2 4.32Å; F708-F712 HydrophobicContact CE1-CZ 4.3Å; F708-F712 HydrophobicContact CG-CE2 4.05Å; F708-F712 VanDerWaalsContact O-CD2 3.25Å; F708-F712 WeakPolarHBondContact O-CD2 3.49Å; F708-F712 PolarHBondContact O-N 3.01Å; F708-V834 HydrophobicContact CB-CG1 4.11Å; F708-V834 HydrophobicContact CB-CG2 4.11Å; F708-A837 HydrophobicContact CB-CB 4.49Å; F708-A837 HydrophobicContact CD2-CB 3.7Å; F708-A837 HydrophobicContact CE2-CB 4.3Å; F708-A837 HydrophobicContact CG-CB 4.28Å; F708-F913 HydrophobicContact CD1-CE1 4.04Å; F708-F913 HydrophobicContact CD2-CE1 4.12Å; F708-F913 AromaticContact CE1-CE1 3.91Å; F708-F913 HydrophobicContact CE1-CE1 3.91Å; F708-F913 HydrophobicContact CE2-CD1 4.31Å; F708-F913 AromaticContact CE2-CE1 4Å; F708-F913 HydrophobicContact CE2-CE1 4Å; F708-F913 HydrophobicContact CG-CE1 4.16Å; F708-F913 HydrophobicContact CZ-CD1 4.45Å; F708-F913 AromaticContact CZ-CE1 3.9Å; F708-F913 HydrophobicContact CZ-CE1 3.9Å; F708-L953 HydrophobicContact CE1-CD1 4.37Å; F708-L953 HydrophobicContact CE1-CD2 3.85Å; F708-L953 HydrophobicContact CZ-CD2 4Å
709	G	97.1	Very high	94.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60	-41.4	169.4	0	0	0	0	0	113	M705 I706 L707 C713 C714 L715	M705-G709 PolarHBondContact O-N 2.67Å; I706-G709 PolarHBondContact O-N 2.84Å; L707-G709 VanDerWaalsContact C-N 3.31Å; L707-G709 PolarHBondContact O-N 3.23Å; G709-C713 PolarHBondContact O-N 3.17Å; G709-C714 PolarHBondContact O-N 2.9Å; G709-L715 PolarHBondContact O-N 3.45Å
710	A	96.3	Very high	95.3	Very high	5 Å²	5	3 Å²	3	4%	0.041	2%	0.017	C	C	.	.	H	α-helix	trans	-69.9	-51.1	171.8	0	0	0	0	0	112	I706 L707 F708 F712 C713 L715 L805 F810 V811	I706-A710 PolarHBondContact O-N 2.94Å; L707-A710 PolarHBondContact O-N 2.97Å; F708-A710 VanDerWaalsContact C-N 3.34Å; A710-F712 VanDerWaalsContact C-N 3.3Å; A710-F712 PolarHBondContact O-N 2.78Å; A710-C713 PolarHBondContact O-N 3.37Å; A710-L715 HydrophobicContact CB-CD1 4.33Å; A710-L805 HydrophobicContact CB-CD1 4.21Å; A710-L805 HydrophobicContact CB-CD2 4.19Å; A710-F810 HydrophobicContact CB-CB 4.14Å; A710-V811 HydrophobicContact CB-CG1 3.74Å
711	L	95.3	Very high	95.9	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.01	2%	0.015	C	C	.	.	H	α-helix	trans	-58.6	-37.7	-176.2	-73.7	170.7	0	0	0	113.4	L707 F708 F810 L956 L957 V967 W969 L980	L707-L711 HydrophobicContact CG-CD1 4.44Å; L707-L711 WeakPolarHBondContact O-CG 3.24Å; L707-L711 PolarHBondContact O-N 3.44Å; F708-L711 HydrophobicContact CD1-CD1 3.97Å; F708-L711 HydrophobicContact CE1-CD1 4.05Å; F708-L711 PolarHBondContact O-N 3.24Å; L711-F810 HydrophobicContact CD1-CE1 4.46Å; L711-F810 HydrophobicContact CD2-CD1 3.96Å; L711-F810 HydrophobicContact CD2-CE1 4.02Å; L711-F810 HydrophobicContact CG-CD1 4.17Å; L711-F810 HydrophobicContact CG-CE1 4.32Å; L711-L956 HydrophobicContact CD2-CD2 4.41Å; L711-L957 HydrophobicContact CD1-CD2 4.08Å; L711-V967 HydrophobicContact CD2-CG2 3.9Å; L711-W969 VanDerWaalsContact O-CZ2 3.23Å; L711-W969 WeakPolarHBondContact O-CZ2 3.42Å; L711-W969 PolarHBondContact O-NE1 3.04Å; L711-L980 HydrophobicContact CB-CD2 4.39Å; L711-L980 HydrophobicContact CD2-CD1 4.49Å
712	F	96.6	Very high	96.3	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11.1	176.8	-54.6	-54	0	0	0	114.1	F708 A710 C714 N824 I830 V834 F913 L980 I983 I984	F708-F712 HydrophobicContact CB-CD2 4.14Å; F708-F712 HydrophobicContact CB-CE2 3.97Å; F708-F712 HydrophobicContact CD1-CD2 4.27Å; F708-F712 AromaticContact CD1-CE2 3.46Å; F708-F712 HydrophobicContact CD1-CE2 3.46Å; F708-F712 VanDerWaalsContact CD1-CE2 3.46Å; F708-F712 AromaticContact CD1-CZ 3.82Å; F708-F712 HydrophobicContact CD1-CZ 3.82Å; F708-F712 HydrophobicContact CE1-CE2 4.32Å; F708-F712 HydrophobicContact CE1-CZ 4.3Å; F708-F712 HydrophobicContact CG-CE2 4.05Å; F708-F712 VanDerWaalsContact O-CD2 3.25Å; F708-F712 WeakPolarHBondContact O-CD2 3.49Å; F708-F712 PolarHBondContact O-N 3.01Å; A710-F712 VanDerWaalsContact C-N 3.3Å; A710-F712 PolarHBondContact O-N 2.78Å; F712-C714 PolarHBondContact O-N 3.2Å; F712-N824 WeakPolarHBondContact O-CB 3.23Å; F712-N824 PolarHBondContact O-ND2 3.25Å; F712-I830 HydrophobicContact CB-CG2 3.86Å; F712-I830 HydrophobicContact CG-CG2 4.5Å; F712-V834 HydrophobicContact CD2-CG2 3.71Å; F712-V834 HydrophobicContact CE2-CG2 4.36Å; F712-F913 HydrophobicContact CE2-CE1 4.37Å; F712-F913 AromaticContact CE2-CZ 3.7Å; F712-F913 HydrophobicContact CE2-CZ 3.7Å; F712-F913 AromaticContact CZ-CZ 3.98Å; F712-F913 HydrophobicContact CZ-CZ 3.98Å; F712-L980 HydrophobicContact CD1-CD2 4.15Å; F712-L980 HydrophobicContact CE1-CD2 3.68Å; F712-I983 HydrophobicContact CE1-CB 4.36Å; F712-I983 HydrophobicContact CE1-CG2 3.93Å; F712-I983 HydrophobicContact CZ-CG2 3.84Å; F712-I984 HydrophobicContact CB-CD1 4.27Å; F712-I984 HydrophobicContact CD1-CD1 3.93Å; F712-I984 HydrophobicContact CD1-CG1 3.78Å; F712-I984 HydrophobicContact CE1-CG1 4.3Å; F712-I984 HydrophobicContact CG-CD1 4.46Å; F712-I984 HydrophobicContact CG-CG1 4.41Å
713	C	96.6	Very high	96.1	Very high	7 Å²	7	2.1 Å²	2.1	5%	0.047	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	51.1	-178.5	-69.1	0	0	0	0	114.7	G709 A710 E820 S821 N822 I823 N824 W969	G709-C713 PolarHBondContact O-N 3.17Å; A710-C713 PolarHBondContact O-N 3.37Å; C713-E820 PolarHBondContact SG-O 3.44Å; C713-S821 CarbonylContact C-O 3.6Å; C713-S821 WeakPolarHBondContact CA-O 3.33Å; C713-N822 CarbonylContact O-C 3.4Å; C713-N822 VanDerWaalsContact O-CA 3.3Å; C713-N822 WeakPolarHBondContact O-CA 3.3Å; C713-I823 HydrophobicContact CB-CD1 4.22Å; C713-I823 HydrophobicContact CB-CG1 3.41Å; C713-I823 VanDerWaalsContact CB-CG1 3.41Å; C713-I823 PolarHBondContact O-N 3.43Å; C713-N824 PolarHBondContact O-N 2.83Å; C713-W969 PolarHBondContact SG-NE1 2.91Å; C713-W969 VanDerWaalsContact SG-NE1 3.38Å
714	C	97.3	Very high	96	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.016	C	C	.	.			trans	-120.9	41.4	169.8	54.2	0	0	0	0	110.8	G709 F712 P717 V718 N824 S825 I830 I831	G709-C714 PolarHBondContact O-N 2.9Å; F712-C714 PolarHBondContact O-N 3.2Å; C714-P717 WeakPolarHBondContact O-CD 3.38Å; C714-P717 WeakPolarHBondContact O-CG 3.34Å; C714-V718 WeakPolarHBondContact O-CB 3.32Å; C714-V718 WeakPolarHBondContact O-CG2 3.35Å; C714-V718 PolarHBondContact O-N 3.09Å; C714-N824 HydrophobicContact CB-CB 4.39Å; C714-S825 VanDerWaalsContact C-OG 3.31Å; C714-S825 VanDerWaalsContact CA-OG 3.26Å; C714-S825 WeakPolarHBondContact CA-OG 3.37Å; C714-I830 HydrophobicContact CB-CG2 4.42Å; C714-I831 HydrophobicContact CB-CG1 4.26Å
715	L	97.9	Very high	95.6	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.5	-55	-161.7	-172.1	68.4	0	0	0	113.7	G709 A710 V718 L719 L805 V811 S821	G709-L715 PolarHBondContact O-N 3.45Å; A710-L715 HydrophobicContact CB-CD1 4.33Å; L715-V718 PolarHBondContact O-N 3.38Å; L715-L719 HydrophobicContact CD1-CD1 3.78Å; L715-L719 HydrophobicContact CD1-CD2 3.97Å; L715-L719 HydrophobicContact CD1-CG 3.73Å; L715-L719 HydrophobicContact CD2-CD1 4.27Å; L715-L719 HydrophobicContact CG-CD1 3.75Å; L715-L719 HydrophobicContact CG-CG 3.93Å; L715-L719 WeakPolarHBondContact O-CB 3.41Å; L715-L719 VanDerWaalsContact O-CG 3.32Å; L715-L719 WeakPolarHBondContact O-CG 3.48Å; L715-L719 PolarHBondContact O-N 3.32Å; L715-L805 HydrophobicContact CD1-CD1 3.61Å; L715-V811 HydrophobicContact CD2-CG1 4.09Å; L715-S821 VanDerWaalsContact CB-O 3.22Å; L715-S821 WeakPolarHBondContact CB-O 3.44Å; L715-S821 PolarHBondContact N-O 2.93Å
716	D	98.1	Very high	94.7	Very high	11 Å²	11	5.4 Å²	5.4	6%	0.059	3%	0.034	C	C	.	.	H	α-helix	trans	-58.1	-47.5	-172.1	-162.4	55.2	0	0	0	115.1	T720 K798 P816 K817 N822	D716-T720 PolarHBondContact O-N 2.99Å; D716-T720 VanDerWaalsContact O-N 3.15Å; D716-T720 PolarHBondContact O-OG1 3.09Å; D716-K798 WeakPolarHBondContact O-CE 3.15Å; D716-K798 PolarHBondContact O-NZ 2.99Å; D716-K798 WeakPolarHBondContact OD1-CE 3.32Å; D716-K798 IonicContact OD1-NZ 2.67Å; D716-K798 PolarHBondContact OD1-NZ 2.63Å; D716-K798 IonicContact OD2-NZ 3.43Å; D716-K798 PolarHBondContact OD2-NZ 3.34Å; D716-P816 WeakPolarHBondContact CB-O 3.37Å; D716-P816 WeakPolarHBondContact OD1-CB 3.42Å; D716-K817 HydrophobicContact CB-CG 4.38Å; D716-K817 WeakPolarHBondContact OD1-CG 3.36Å; D716-K817 IonicContact OD1-NZ 2.74Å; D716-K817 IonicContact OD2-NZ 3.97Å; D716-K817 PolarHBondContact OD2-NZ 3.38Å; D716-N822 WeakPolarHBondContact CB-OD1 3.48Å; D716-N822 PolarHBondContact N-OD1 2.99Å
717	P	98.2	Very high	93.6	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.013	4%	0.044	C	C	.	.	H	α-helix	trans	-68.2	-38.3	175.8	27.4	-35.2	0	0	0	111.7	C714 T720 I721 V760 S825 I831	C714-P717 WeakPolarHBondContact O-CD 3.38Å; C714-P717 WeakPolarHBondContact O-CG 3.34Å; P717-T720 WeakPolarHBondContact O-CB 3.37Å; P717-T720 PolarHBondContact O-N 3.49Å; P717-I721 WeakPolarHBondContact O-CG1 3.25Å; P717-I721 PolarHBondContact O-N 2.69Å; P717-V760 HydrophobicContact CB-CG1 3.77Å; P717-V760 HydrophobicContact CB-CG2 4.04Å; P717-S825 WeakPolarHBondContact CD-OG 3.28Å; P717-I831 HydrophobicContact CB-CD1 4.13Å; P717-I831 HydrophobicContact CG-CD1 3.87Å; P717-I831 HydrophobicContact CG-CG1 4.14Å
718	V	98.4	Very high	92.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-44.6	179	169.4	0	0	0	0	111.6	M705 C714 L715 T720 I721 A722 I831 V834	M705-V718 HydrophobicContact CG-CG1 4.02Å; M705-V718 WeakPolarHBondContact O-CG1 3.34Å; C714-V718 WeakPolarHBondContact O-CB 3.32Å; C714-V718 WeakPolarHBondContact O-CG2 3.35Å; C714-V718 PolarHBondContact O-N 3.09Å; L715-V718 PolarHBondContact O-N 3.38Å; V718-T720 PolarHBondContact O-N 3.33Å; V718-I721 PolarHBondContact O-N 3.05Å; V718-A722 WeakPolarHBondContact O-CB 3.4Å; V718-A722 PolarHBondContact O-N 3.37Å; V718-I831 HydrophobicContact CG2-CG2 4.37Å; V718-V834 HydrophobicContact CB-CG1 4.39Å; V718-V834 HydrophobicContact CG1-CG1 3.77Å; V718-V834 HydrophobicContact CG2-CB 4.06Å; V718-V834 HydrophobicContact CG2-CG1 3.65Å
719	L	97.9	Very high	91.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.4	-31.3	175.5	-64.7	-167.1	0	0	0	111.9	I706 L715 A723 K798 F801 A802 L805 P816	I706-L719 HydrophobicContact CB-CD2 3.68Å; I706-L719 HydrophobicContact CG2-CD2 3.47Å; I706-L719 VanDerWaalsContact CG2-CD2 3.47Å; L715-L719 HydrophobicContact CD1-CD1 3.78Å; L715-L719 HydrophobicContact CD1-CD2 3.97Å; L715-L719 HydrophobicContact CD1-CG 3.73Å; L715-L719 HydrophobicContact CD2-CD1 4.27Å; L715-L719 HydrophobicContact CG-CD1 3.75Å; L715-L719 HydrophobicContact CG-CG 3.93Å; L715-L719 WeakPolarHBondContact O-CB 3.41Å; L715-L719 VanDerWaalsContact O-CG 3.32Å; L715-L719 WeakPolarHBondContact O-CG 3.48Å; L715-L719 PolarHBondContact O-N 3.32Å; L719-A723 VanDerWaalsContact O-CB 3.27Å; L719-A723 WeakPolarHBondContact O-CB 3.5Å; L719-A723 PolarHBondContact O-N 3.04Å; L719-K798 HydrophobicContact CB-CB 4.19Å; L719-K798 HydrophobicContact CB-CG 3.93Å; L719-K798 WeakPolarHBondContact CD1-O 3.1Å; L719-F801 HydrophobicContact CD1-CB 4.14Å; L719-F801 HydrophobicContact CD2-CB 3.59Å; L719-F801 HydrophobicContact CD2-CD2 4.2Å; L719-F801 HydrophobicContact CD2-CG 4.32Å; L719-F801 HydrophobicContact CG-CB 4.38Å; L719-A802 HydrophobicContact CD1-CB 4.07Å; L719-L805 HydrophobicContact CD2-CD1 4.19Å; L719-P816 HydrophobicContact CD1-CB 4.15Å; L719-P816 HydrophobicContact CD1-CG 4.4Å
720	T	98.2	Very high	91.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-44.6	173.9	-52.1	0	0	0	0	111.4	D716 P717 V718 A723 S724 F763 K798	D716-T720 PolarHBondContact O-N 2.99Å; D716-T720 VanDerWaalsContact O-N 3.15Å; D716-T720 PolarHBondContact O-OG1 3.09Å; P717-T720 WeakPolarHBondContact O-CB 3.37Å; P717-T720 PolarHBondContact O-N 3.49Å; V718-T720 PolarHBondContact O-N 3.33Å; T720-A723 PolarHBondContact O-N 2.69Å; T720-S724 PolarHBondContact O-N 3.45Å; T720-S724 VanDerWaalsContact O-N 3.1Å; T720-F763 HydrophobicContact CG2-CB 3.67Å; T720-F763 HydrophobicContact CG2-CD1 4.11Å; T720-F763 HydrophobicContact CG2-CD2 3.95Å; T720-F763 HydrophobicContact CG2-CG 3.64Å; T720-K798 WeakPolarHBondContact OG1-CD 3.31Å; T720-K798 WeakPolarHBondContact OG1-CE 3.14Å; T720-K798 PolarHBondContact OG1-NZ 3.37Å
721	I	98.1	Very high	90.4	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-52.1	176.8	-65.8	164.9	0	0	0	110	M705 P717 V718 A723 S724 L725 H756 V760 I831 I835	M705-I721 HydrophobicContact SD-CG2 3.88Å; P717-I721 WeakPolarHBondContact O-CG1 3.25Å; P717-I721 PolarHBondContact O-N 2.69Å; V718-I721 PolarHBondContact O-N 3.05Å; I721-A723 VanDerWaalsContact C-N 3.26Å; I721-A723 PolarHBondContact O-N 3.22Å; I721-S724 WeakPolarHBondContact O-CA 3.4Å; I721-S724 WeakPolarHBondContact O-CB 3.25Å; I721-S724 PolarHBondContact O-N 2.9Å; I721-L725 HydrophobicContact CG2-CD1 4.09Å; I721-L725 HydrophobicContact CG2-CG 4.26Å; I721-L725 WeakPolarHBondContact O-CG 3.39Å; I721-L725 PolarHBondContact O-N 2.83Å; I721-H756 HydrophobicContact CD1-CB 4.18Å; I721-H756 HydrophobicContact CG1-CB 4.22Å; I721-H756 HydrophobicContact CG2-CB 4.05Å; I721-V760 HydrophobicContact CD1-CG2 3.78Å; I721-V760 HydrophobicContact CG1-CG2 3.58Å; I721-I831 HydrophobicContact CD1-CG2 3.98Å; I721-I835 HydrophobicContact CD1-CD1 3.7Å; I721-I835 HydrophobicContact CD1-CG1 3.84Å
722	A	95.1	Very high	89.4	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-51.8	-44.8	176.5	0	0	0	0	0	112.2	I702 I706 V718 S724 L725 S726 F801	I702-A722 HydrophobicContact CG2-CB 3.95Å; I706-A722 HydrophobicContact CG2-CB 3.45Å; I706-A722 VanDerWaalsContact CG2-CB 3.45Å; V718-A722 WeakPolarHBondContact O-CB 3.4Å; V718-A722 PolarHBondContact O-N 3.37Å; A722-S724 VanDerWaalsContact C-N 3.33Å; A722-S724 PolarHBondContact O-N 3.37Å; A722-L725 PolarHBondContact O-N 2.98Å; A722-S726 PolarHBondContact O-N 3.02Å; A722-S726 PolarHBondContact O-OG 3.4Å; A722-F801 HydrophobicContact CB-CD2 4.2Å; A722-F801 HydrophobicContact CB-CE2 3.85Å
723	A	87.9	Confident	87.8	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-39.2	177.9	0	0	0	0	0	112.1	L719 T720 I721 L725 F727 L794 M797 K798 F801	L719-A723 VanDerWaalsContact O-CB 3.27Å; L719-A723 WeakPolarHBondContact O-CB 3.5Å; L719-A723 PolarHBondContact O-N 3.04Å; T720-A723 PolarHBondContact O-N 2.69Å; I721-A723 VanDerWaalsContact C-N 3.26Å; I721-A723 PolarHBondContact O-N 3.22Å; A723-L725 VanDerWaalsContact C-N 3.35Å; A723-F727 WeakPolarHBondContact O-CB 3.36Å; A723-F727 PolarHBondContact O-N 2.89Å; A723-L794 HydrophobicContact CB-CB 4.31Å; A723-L794 HydrophobicContact CB-CD2 3.76Å; A723-L794 VanDerWaalsContact O-CD2 3.27Å; A723-L794 WeakPolarHBondContact O-CD2 3.08Å; A723-M797 HydrophobicContact CB-CB 3.73Å; A723-M797 HydrophobicContact CB-SD 4.47Å; A723-K798 HydrophobicContact CB-CG 4.48Å; A723-F801 HydrophobicContact CB-CE2 4Å
724	S	88.3	Confident	85.8	Confident	12 Å²	12	21.3 Å²	21.3	8%	0.084	12%	0.117	C	C	.	.	H	α-helix	trans	-67	-35.9	177.5	-172.3	0	0	0	0	112.4	T720 I721 A722 K728 D729	T720-S724 PolarHBondContact O-N 3.45Å; T720-S724 VanDerWaalsContact O-N 3.1Å; I721-S724 WeakPolarHBondContact O-CA 3.4Å; I721-S724 WeakPolarHBondContact O-CB 3.25Å; I721-S724 PolarHBondContact O-N 2.9Å; A722-S724 VanDerWaalsContact C-N 3.33Å; A722-S724 PolarHBondContact O-N 3.37Å; S724-K728 CarbonylContact O-C 3.59Å; S724-K728 VanDerWaalsContact O-C 3.27Å; S724-K728 VanDerWaalsContact O-CA 3.29Å; S724-K728 WeakPolarHBondContact O-CA 3.35Å; S724-K728 PolarHBondContact O-N 3.32Å; S724-K728 VanDerWaalsContact O-N 3.12Å; S724-D729 WeakPolarHBondContact OG-CA 3.42Å
725	L	86	Confident	83.4	Confident	20 Å²	20	29.3 Å²	29.3	11%	0.105	16%	0.159	C	C	.	.	H	α-helix	trans	-73.4	-42.4	178	-62.8	-175.2	0	0	0	111.8	I702 M705 I721 A722 A723 F727 L839 H889	I702-L725 HydrophobicContact CD1-CB 3.68Å; I702-L725 HydrophobicContact CD1-CD1 4.14Å; M705-L725 HydrophobicContact CE-CD1 3.67Å; M705-L725 HydrophobicContact SD-CD1 4.28Å; I721-L725 HydrophobicContact CG2-CD1 4.09Å; I721-L725 HydrophobicContact CG2-CG 4.26Å; I721-L725 WeakPolarHBondContact O-CG 3.39Å; I721-L725 PolarHBondContact O-N 2.83Å; A722-L725 PolarHBondContact O-N 2.98Å; A723-L725 VanDerWaalsContact C-N 3.35Å; L725-F727 VanDerWaalsContact C-N 3.28Å; L725-F727 PolarHBondContact O-N 3.1Å; L725-L839 HydrophobicContact CD1-CD2 3.99Å; L725-H889 HydrophobicContact CD2-CB 3.84Å
726	S	78	Confident	81.1	Confident	46 Å²	46	32.4 Å²	32.4	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-74.8	-7.7	177.7	-59.9	0	0	0	0	115.1	A722	A722-S726 PolarHBondContact O-N 3.02Å; A722-S726 PolarHBondContact O-OG 3.4Å
727	F	73.1	Confident	79.4	Confident	47 Å²	47	35.6 Å²	35.6	21%	0.206	20%	0.204	C	C	.	.	S	Bend	trans	-132.1	-79.5	179.3	172.8	-141.4	0	0	0	112.4	L527 A723 L725 T790 M793 L794 M797	L527-F727 HydrophobicContact CB-CE2 3.8Å; L527-F727 HydrophobicContact CB-CZ 4.17Å; L527-F727 HydrophobicContact CD1-CD2 3.76Å; L527-F727 HydrophobicContact CD1-CE2 3.45Å; L527-F727 VanDerWaalsContact CD1-CE2 3.45Å; L527-F727 HydrophobicContact CD2-CD2 4.01Å; L527-F727 HydrophobicContact CD2-CE2 4.1Å; L527-F727 HydrophobicContact CG-CD2 4.29Å; L527-F727 HydrophobicContact CG-CE2 3.94Å; A723-F727 WeakPolarHBondContact O-CB 3.36Å; A723-F727 PolarHBondContact O-N 2.89Å; L725-F727 VanDerWaalsContact C-N 3.28Å; L725-F727 PolarHBondContact O-N 3.1Å; F727-T790 HydrophobicContact CD1-CG2 4.29Å; F727-T790 HydrophobicContact CE1-CG2 3.83Å; F727-M793 HydrophobicContact CD1-CB 4.16Å; F727-M793 HydrophobicContact CD1-CG 3.71Å; F727-M793 HydrophobicContact CE1-CB 3.7Å; F727-M793 HydrophobicContact CE1-CG 3.57Å; F727-M793 HydrophobicContact CZ-CG 4.28Å; F727-L794 HydrophobicContact CD1-CD2 4.1Å; F727-M797 HydrophobicContact CB-CE 3.94Å; F727-M797 HydrophobicContact CB-SD 3.72Å; F727-M797 HydrophobicContact CD1-SD 4.36Å; F727-M797 HydrophobicContact CG-SD 4.33Å
728	K	72.6	Confident	78.1	Confident	68 Å²	68	39.3 Å²	39.3	30%	0.296	22%	0.221	S	C	.	.			trans	-175.7	161.2	171.6	56.1	173.5	-177.5	171.7	0	110.4	S724 T790	S724-K728 CarbonylContact O-C 3.59Å; S724-K728 VanDerWaalsContact O-C 3.27Å; S724-K728 VanDerWaalsContact O-CA 3.29Å; S724-K728 WeakPolarHBondContact O-CA 3.35Å; S724-K728 PolarHBondContact O-N 3.32Å; S724-K728 VanDerWaalsContact O-N 3.12Å; K728-T790 HydrophobicContact CD-CG2 4.44Å; K728-T790 VanDerWaalsContact CE-OG1 3.27Å; K728-T790 WeakPolarHBondContact CE-OG1 3.42Å; K728-T790 HydrophobicContact CG-CG2 3.97Å; K728-T790 PolarHBondContact NZ-OG1 3.12Å
729	D	80.5	Confident	77.2	Confident	25 Å²	25	48.1 Å²	48.1	13%	0.134	26%	0.26	C	S	.	.			trans	-68.5	152.7	168.9	77.1	85.3	0	0	0	112.4	S724 F731 V759 K872 Y900	S724-D729 WeakPolarHBondContact OG-CA 3.42Å; D729-F731 VanDerWaalsContact C-N 3.33Å; D729-F731 HydrophobicContact CB-CD2 4.48Å; D729-F731 PolarHBondContact O-N 3.43Å; D729-F731 WeakPolarHBondContact OD1-CB 3.48Å; D729-F731 PolarHBondContact OD1-N 3.12Å; D729-F731 VanDerWaalsContact OD1-N 3.1Å; D729-V759 HydrophobicContact CB-CG2 4.2Å; D729-K872 WeakPolarHBondContact OD1-CE 3.38Å; D729-K872 IonicContact OD1-NZ 2.86Å; D729-K872 PolarHBondContact OD1-NZ 3.11Å; D729-K872 IonicContact OD2-NZ 2.76Å; D729-K872 PolarHBondContact OD2-NZ 3.45Å; D729-Y900 PolarHBondContact OD2-OH 2.96Å
730	P	82.7	Confident	76.4	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.282	C	S	.	.	S	Bend	trans	-80.6	-5	-174.7	32.5	-36.5	0	0	0	114.9	V759 L786 S787 T790 L791	P730-V759 HydrophobicContact CG-CG1 4.22Å; P730-L786 HydrophobicContact CB-CD2 4.14Å; P730-L786 HydrophobicContact CG-CD2 4Å; P730-L786 WeakPolarHBondContact O-CA 3.33Å; P730-S787 PolarHBondContact O-N 3.49Å; P730-T790 HydrophobicContact CB-CG2 4.2Å; P730-L791 HydrophobicContact CB-CD2 3.76Å; P730-L791 HydrophobicContact CB-CG 3.84Å; P730-L791 HydrophobicContact CG-CD2 4.03Å
731	F	81.6	Confident	75.2	Confident	19 Å²	19	52.7 Å²	52.7	8%	0.083	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-80.3	130.9	-172.7	-62.7	-80.6	0	0	0	112.5	D729 R745 L748 T758 V759 A762 F785 L786	D729-F731 VanDerWaalsContact C-N 3.33Å; D729-F731 HydrophobicContact CB-CD2 4.48Å; D729-F731 PolarHBondContact O-N 3.43Å; D729-F731 WeakPolarHBondContact OD1-CB 3.48Å; D729-F731 PolarHBondContact OD1-N 3.12Å; D729-F731 VanDerWaalsContact OD1-N 3.1Å; F731-R745 HydrophobicContact CD1-CG 4.32Å; F731-R745 HydrophobicContact CD2-CG 4.49Å; F731-R745 HydrophobicContact CE1-CG 4.08Å; F731-R745 HydrophobicContact CE2-CG 4.26Å; F731-R745 HydrophobicContact CZ-CG 4.06Å; F731-L748 HydrophobicContact CE1-CD1 3.67Å; F731-L748 HydrophobicContact CZ-CD1 3.96Å; F731-T758 HydrophobicContact CE2-CG2 4.2Å; F731-T758 HydrophobicContact CZ-CG2 3.85Å; F731-V759 HydrophobicContact CE2-CG2 4.17Å; F731-A762 HydrophobicContact CE1-CB 4.49Å; F731-A762 HydrophobicContact CZ-CB 3.92Å; F731-F785 WeakPolarHBondContact CA-O 3.49Å; F731-L786 HydrophobicContact CD1-CD2 3.53Å; F731-L786 HydrophobicContact CE1-CD2 3.5Å; F731-L786 VanDerWaalsContact CE1-CD2 3.5Å; F731-L786 HydrophobicContact CG-CD2 4.16Å; F731-L786 HydrophobicContact CZ-CD2 4.1Å
732	V	73.7	Confident	74.4	Confident	72 Å²	72	55.4 Å²	55.4	44%	0.436	30%	0.298	S	S	.	.			trans	-106.5	150.2	168.8	-62.7	0	0	0	0	110.3	F785	V732-F785 HydrophobicContact CG2-CB 4.21Å; V732-F785 WeakPolarHBondContact CG2-O 3.37Å; V732-F785 PolarHBondContact N-O 3.17Å; V732-F785 WeakPolarHBondContact O-CB 3.41Å
733	I	64.4	Low	74.2	Confident	72 Å²	72	58.1 Å²	58.1	37%	0.369	32%	0.32	S	S	.	.			trans	-124.2	96.1	176.3	-53.8	-178.9	0	0	0	107.9	E738 A741 K872	I733-E738 HydrophobicContact CG2-CB 4.14Å; I733-E738 HydrophobicContact CG2-CG 3.86Å; I733-A741 HydrophobicContact CG2-CB 4.41Å; I733-K872 HydrophobicContact CD1-CG 4.34Å
734	P	54.8	Low	74.4	Confident	50 Å²	50	61.3 Å²	61.3	33%	0.325	33%	0.332	S	S	.	.			trans	-71.5	141.2	176.7	21.5	-22.6	0	0	0	111.2	G736 K737 F785	P734-G736 PolarHBondContact O-N 3.09Å; P734-K737 HydrophobicContact CG-CB 4.09Å; P734-K737 HydrophobicContact CG-CD 4.11Å; P734-K737 PolarHBondContact O-N 3.31Å; P734-F785 HydrophobicContact CG-CD1 3.65Å; P734-F785 HydrophobicContact CG-CE1 3.82Å
735	L	45	Very low	74.5	Confident	169 Å²	169	61.2 Å²	61.2	89%	0.885	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	130.1	179.8	-70.7	162.7	0	0	0	111.6	K737	L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 2.9Å
736	G	51.6	Low	74.8	Confident	65 Å²	65	65 Å²	65	67%	0.67	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	1.8	-179.4	0	0	0	0	0	115.4	P734 E738	P734-G736 PolarHBondContact O-N 3.09Å; G736-E738 WeakPolarHBondContact CA-OE2 3.23Å; G736-E738 VanDerWaalsContact N-CD 3.35Å; G736-E738 PolarHBondContact N-OE1 2.96Å; G736-E738 PolarHBondContact N-OE2 3.49Å
737	K	61.8	Low	75.7	Confident	77 Å²	77	67.1 Å²	67.1	34%	0.335	35%	0.351	S	S	.	.			trans	-117.6	13.2	176.5	-65.5	-171	178	-179.9	0	113.6	P734 L735 K739 I740 A741 F785	P734-K737 HydrophobicContact CG-CB 4.09Å; P734-K737 HydrophobicContact CG-CD 4.11Å; P734-K737 PolarHBondContact O-N 3.31Å; L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 2.9Å; K737-K739 PolarHBondContact O-N 3.38Å; K737-I740 PolarHBondContact O-N 3.28Å; K737-A741 PolarHBondContact O-N 3.49Å; K737-F785 HydrophobicContact CB-CE1 4.3Å; K737-F785 HydrophobicContact CB-CZ 4.46Å; K737-F785 HydrophobicContact CD-CE1 3.78Å; K737-F785 HydrophobicContact CD-CZ 4.21Å
738	E	71.1	Confident	76.9	Confident	81 Å²	81	65.5 Å²	65.5	38%	0.379	34%	0.344	S	S	.	.	H	α-helix	trans	-51.6	-53.6	-171.9	-58.8	76.9	-172.5	0	0	111.8	I733 G736 I740 A741 D742	I733-E738 HydrophobicContact CG2-CB 4.14Å; I733-E738 HydrophobicContact CG2-CG 3.86Å; G736-E738 WeakPolarHBondContact CA-OE2 3.23Å; G736-E738 VanDerWaalsContact N-CD 3.35Å; G736-E738 PolarHBondContact N-OE1 2.96Å; G736-E738 PolarHBondContact N-OE2 3.49Å; E738-I740 PolarHBondContact O-N 3.15Å; E738-A741 PolarHBondContact O-N 2.98Å; E738-D742 VanDerWaalsContact O-CG 3.23Å; E738-D742 PolarHBondContact O-N 2.95Å
739	K	79.8	Confident	78	Confident	185 Å²	185	62.5 Å²	62.5	80%	0.804	33%	0.332	S	S	*	.	H	α-helix	trans	-60	-31	179.9	-66.8	-175.8	179	178.8	0	114	K737 A743	K737-K739 PolarHBondContact O-N 3.38Å; K739-A743 WeakPolarHBondContact O-CB 3.49Å; K739-A743 PolarHBondContact O-N 2.88Å
740	I	80.6	Confident	78.7	Confident	94 Å²	94	67.9 Å²	67.9	48%	0.482	35%	0.354	S	S	.	.	H	α-helix	trans	-78.1	-44.4	-179.7	-51.3	177.8	0	0	0	109	K737 E738 D742 A743 R744 F785	K737-I740 PolarHBondContact O-N 3.28Å; E738-I740 PolarHBondContact O-N 3.15Å; I740-D742 VanDerWaalsContact C-N 3.32Å; I740-D742 PolarHBondContact O-N 2.97Å; I740-A743 PolarHBondContact O-N 3.18Å; I740-R744 WeakPolarHBondContact O-CG 3.42Å; I740-R744 PolarHBondContact O-N 2.86Å; I740-F785 HydrophobicContact CB-CE2 4.4Å; I740-F785 HydrophobicContact CB-CZ 4.35Å; I740-F785 HydrophobicContact CG2-CE2 3.97Å; I740-F785 HydrophobicContact CG2-CZ 4.05Å
741	A	73.1	Confident	79.2	Confident	3 Å²	3	72.7 Å²	72.7	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-40.1	174.7	0	0	0	0	0	112.2	I733 K737 E738 R744 R745 F785	I733-A741 HydrophobicContact CG2-CB 4.41Å; K737-A741 PolarHBondContact O-N 3.49Å; E738-A741 PolarHBondContact O-N 2.98Å; A741-R744 PolarHBondContact O-N 2.91Å; A741-R745 WeakPolarHBondContact O-CB 3.1Å; A741-R745 PolarHBondContact O-N 3.13Å; A741-F785 HydrophobicContact CB-CB 4.48Å; A741-F785 HydrophobicContact CB-CD2 3.79Å; A741-F785 HydrophobicContact CB-CE2 4.14Å; A741-F785 HydrophobicContact CB-CG 4.07Å
742	D	80.4	Confident	79.8	Confident	57 Å²	57	72.2 Å²	72.2	31%	0.305	38%	0.378	S	S	.	.	H	α-helix	trans	-68	-38.6	177.2	-63.9	-22.4	0	0	0	112.1	E738 I740 R745 K746	E738-D742 VanDerWaalsContact O-CG 3.23Å; E738-D742 PolarHBondContact O-N 2.95Å; I740-D742 VanDerWaalsContact C-N 3.32Å; I740-D742 PolarHBondContact O-N 2.97Å; D742-R745 PolarHBondContact O-N 3Å; D742-R745 IonicContact OD1-CZ 3.52Å; D742-R745 VanDerWaalsContact OD1-CZ 3.28Å; D742-R745 IonicContact OD1-NH1 2.75Å; D742-R745 PolarHBondContact OD1-NH1 2.96Å; D742-R745 IonicContact OD1-NH2 3.4Å; D742-R745 PolarHBondContact OD1-NH2 3.09Å; D742-K746 WeakPolarHBondContact O-CB 3.27Å; D742-K746 PolarHBondContact O-N 3.01Å
743	A	91.6	Very high	80.9	Confident	58 Å²	58	69.4 Å²	69.4	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-45.2	173.2	0	0	0	0	0	112.1	K739 I740 K746 E747	K739-A743 WeakPolarHBondContact O-CB 3.49Å; K739-A743 PolarHBondContact O-N 2.88Å; I740-A743 PolarHBondContact O-N 3.18Å; A743-K746 PolarHBondContact O-N 3.44Å; A743-E747 PolarHBondContact O-N 3.16Å
744	R	91.9	Very high	82.5	Confident	67 Å²	67	66 Å²	66	25%	0.253	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-34.2	176.5	-68.7	-56.8	-162.2	177.1	7	113.1	I740 A741 E747 L748 E783 Y784 F785	I740-R744 WeakPolarHBondContact O-CG 3.42Å; I740-R744 PolarHBondContact O-N 2.86Å; A741-R744 PolarHBondContact O-N 2.91Å; R744-E747 WeakPolarHBondContact CD-OE2 3.45Å; R744-E747 IonicContact CZ-OE2 3.15Å; R744-E747 IonicContact NE-OE2 2.73Å; R744-E747 IonicContact NH1-OE1 2.66Å; R744-E747 PolarHBondContact NH1-OE1 3.3Å; R744-E747 IonicContact NH1-OE2 3.65Å; R744-E747 PolarHBondContact NH1-OE2 2.92Å; R744-E747 WeakPolarHBondContact O-CB 3.38Å; R744-E747 PolarHBondContact O-N 3.36Å; R744-L748 PolarHBondContact O-N 3.18Å; R744-L748 VanDerWaalsContact O-N 3.11Å; R744-E783 IonicContact CZ-OE1 3.91Å; R744-E783 VanDerWaalsContact CZ-OE1 3.3Å; R744-E783 IonicContact NH1-OE1 2.69Å; R744-E783 IonicContact NH2-OE1 3.28Å; R744-E783 PolarHBondContact NH2-OE1 2.66Å; R744-Y784 HydrophobicContact CB-CD1 4.13Å; R744-F785 HydrophobicContact CG-CD2 4.5Å; R744-F785 HydrophobicContact CG-CE2 4.23Å
745	R	90.1	Very high	84.5	Confident	9 Å²	9	64.5 Å²	64.5	3%	0.034	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-41.4	172.4	-161.8	-178.6	-48.9	106.9	20.7	111.3	F731 A741 D742 L748 A749 T758 K872 V874	F731-R745 HydrophobicContact CD1-CG 4.32Å; F731-R745 HydrophobicContact CD2-CG 4.49Å; F731-R745 HydrophobicContact CE1-CG 4.08Å; F731-R745 HydrophobicContact CE2-CG 4.26Å; F731-R745 HydrophobicContact CZ-CG 4.06Å; A741-R745 WeakPolarHBondContact O-CB 3.1Å; A741-R745 PolarHBondContact O-N 3.13Å; D742-R745 PolarHBondContact O-N 3Å; D742-R745 IonicContact OD1-CZ 3.52Å; D742-R745 VanDerWaalsContact OD1-CZ 3.28Å; D742-R745 IonicContact OD1-NH1 2.75Å; D742-R745 PolarHBondContact OD1-NH1 2.96Å; D742-R745 IonicContact OD1-NH2 3.4Å; D742-R745 PolarHBondContact OD1-NH2 3.09Å; R745-L748 PolarHBondContact O-N 2.71Å; R745-A749 PolarHBondContact O-N 2.86Å; R745-T758 HydrophobicContact CG-CG2 3.93Å; R745-T758 WeakPolarHBondContact O-CG2 3.48Å; R745-K872 PolarHBondContact NH1-O 3.39Å; R745-V874 HydrophobicContact CG-CG1 3.87Å
746	K	93.2	Very high	87.1	Confident	101 Å²	101	56.8 Å²	56.8	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-33	176.1	-168.6	171.3	-174.9	171.4	0	113	D742 A743 A749	D742-K746 WeakPolarHBondContact O-CB 3.27Å; D742-K746 PolarHBondContact O-N 3.01Å; A743-K746 PolarHBondContact O-N 3.44Å; K746-A749 WeakPolarHBondContact O-CB 3.06Å; K746-A749 PolarHBondContact O-N 3.33Å
747	E	97	Very high	89.3	Confident	89 Å²	89	54.2 Å²	54.2	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-49.3	170.9	-177.8	-176.1	167.9	0	0	111.4	A743 R744 A749 K750 Y784	A743-E747 PolarHBondContact O-N 3.16Å; R744-E747 WeakPolarHBondContact CD-OE2 3.45Å; R744-E747 IonicContact CZ-OE2 3.15Å; R744-E747 IonicContact NE-OE2 2.73Å; R744-E747 IonicContact NH1-OE1 2.66Å; R744-E747 PolarHBondContact NH1-OE1 3.3Å; R744-E747 IonicContact NH1-OE2 3.65Å; R744-E747 PolarHBondContact NH1-OE2 2.92Å; R744-E747 WeakPolarHBondContact O-CB 3.38Å; R744-E747 PolarHBondContact O-N 3.36Å; E747-A749 PolarHBondContact O-N 3.12Å; E747-K750 PolarHBondContact O-N 2.93Å; E747-K750 VanDerWaalsContact O-N 3.09Å; E747-Y784 PolarHBondContact OE1-OH 3.21Å
748	L	97.4	Very high	91	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-24.7	174.7	-72.8	168	0	0	0	113.6	F731 R744 R745 K750 T758 N761 A762 Y784	F731-L748 HydrophobicContact CE1-CD1 3.67Å; F731-L748 HydrophobicContact CZ-CD1 3.96Å; R744-L748 PolarHBondContact O-N 3.18Å; R744-L748 VanDerWaalsContact O-N 3.11Å; R745-L748 PolarHBondContact O-N 2.71Å; L748-K750 PolarHBondContact O-N 3.35Å; L748-T758 HydrophobicContact CB-CG2 3.85Å; L748-N761 VanDerWaalsContact O-CB 3.31Å; L748-N761 WeakPolarHBondContact O-CB 3.48Å; L748-N761 PolarHBondContact O-ND2 3.06Å; L748-A762 HydrophobicContact CD1-CB 4.01Å; L748-Y784 HydrophobicContact CD1-CD1 3.38Å; L748-Y784 HydrophobicContact CD1-CE1 4.13Å; L748-Y784 HydrophobicContact CD1-CG 3.87Å; L748-Y784 HydrophobicContact CD2-CD1 3.95Å; L748-Y784 HydrophobicContact CD2-CE1 3.91Å; L748-Y784 HydrophobicContact CD2-CG 4.5Å; L748-Y784 HydrophobicContact CG-CD1 3.53Å; L748-Y784 HydrophobicContact CG-CE1 3.75Å; L748-Y784 HydrophobicContact CG-CG 4.36Å
749	A	95.5	Very high	92.3	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.033	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.2	174.7	0	0	0	0	0	113.1	R745 K746 E747 D751 T752 T758 V874	R745-A749 PolarHBondContact O-N 2.86Å; K746-A749 WeakPolarHBondContact O-CB 3.06Å; K746-A749 PolarHBondContact O-N 3.33Å; E747-A749 PolarHBondContact O-N 3.12Å; A749-D751 PolarHBondContact O-N 3.45Å; A749-T752 WeakPolarHBondContact O-CB 3.45Å; A749-T752 WeakPolarHBondContact O-CG2 3.25Å; A749-T752 PolarHBondContact O-N 3.28Å; A749-T752 VanDerWaalsContact O-N 3.09Å; A749-T752 PolarHBondContact O-OG1 2.66Å; A749-T758 VanDerWaalsContact CA-OG1 3.24Å; A749-T758 WeakPolarHBondContact CA-OG1 3.37Å; A749-T758 HydrophobicContact CB-CG2 4.29Å; A749-T758 VanDerWaalsContact CB-OG1 3.23Å; A749-T758 WeakPolarHBondContact CB-OG1 3.35Å; A749-V874 HydrophobicContact CB-CB 3.94Å; A749-V874 HydrophobicContact CB-CG1 3.85Å; A749-V874 HydrophobicContact CB-CG2 4.06Å
750	K	94.6	Very high	93.2	Very high	139 Å²	139	38.6 Å²	38.6	60%	0.604	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	-132.5	-171.4	-56.8	168.6	-176.8	164.6	0	108.9	E747 L748 N761	E747-K750 PolarHBondContact O-N 2.93Å; E747-K750 VanDerWaalsContact O-N 3.09Å; L748-K750 PolarHBondContact O-N 3.35Å; K750-N761 WeakPolarHBondContact CE-OD1 3.32Å; K750-N761 PolarHBondContact NZ-OD1 2.93Å
751	D	93.1	Very high	94	Very high	101 Å²	101	35.1 Å²	35.1	54%	0.54	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	22.5	176.9	-147.2	35.7	0	0	0	112.5	A749 R753	A749-D751 PolarHBondContact O-N 3.45Å; D751-R753 WeakPolarHBondContact O-CD 3.25Å; D751-R753 PolarHBondContact O-N 3.05Å; D751-R753 PolarHBondContact O-NH1 3.42Å; D751-R753 IonicContact OD1-CZ 2.73Å; D751-R753 VanDerWaalsContact OD1-CZ 3.3Å; D751-R753 IonicContact OD1-NH1 2.91Å; D751-R753 PolarHBondContact OD1-NH1 3.24Å; D751-R753 IonicContact OD1-NH2 3.99Å; D751-R753 PolarHBondContact OD1-NH2 3.18Å; D751-R753 IonicContact OD2-CZ 2.73Å; D751-R753 IonicContact OD2-NH1 3.77Å; D751-R753 PolarHBondContact OD2-NH1 3.25Å; D751-R753 IonicContact OD2-NH2 3.24Å
752	T	95.6	Very high	95.2	Very high	10 Å²	10	35 Å²	35	6%	0.061	18%	0.175	C	C	.	.			trans	-78.7	-17.5	-171.8	65.5	0	0	0	0	115	A749 S754 L757 K832	A749-T752 WeakPolarHBondContact O-CB 3.45Å; A749-T752 WeakPolarHBondContact O-CG2 3.25Å; A749-T752 PolarHBondContact O-N 3.28Å; A749-T752 VanDerWaalsContact O-N 3.09Å; A749-T752 PolarHBondContact O-OG1 2.66Å; T752-S754 PolarHBondContact O-N 2.92Å; T752-S754 PolarHBondContact OG1-N 3.18Å; T752-L757 HydrophobicContact CG2-CB 4.15Å; T752-L757 HydrophobicContact CG2-CD1 4.03Å; T752-K832 VanDerWaalsContact O-CE 3.27Å; T752-K832 WeakPolarHBondContact O-CE 3.32Å; T752-K832 PolarHBondContact O-NZ 3.23Å
753	R	96.4	Very high	96	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.049	16%	0.161	C	C	.	.			trans	48.5	38.2	-169.3	-65.2	86.8	175	163.3	2	113.1	D751 N875 Q878 D880 F881 H882 E904	D751-R753 WeakPolarHBondContact O-CD 3.25Å; D751-R753 PolarHBondContact O-N 3.05Å; D751-R753 PolarHBondContact O-NH1 3.42Å; D751-R753 IonicContact OD1-CZ 2.73Å; D751-R753 VanDerWaalsContact OD1-CZ 3.3Å; D751-R753 IonicContact OD1-NH1 2.91Å; D751-R753 PolarHBondContact OD1-NH1 3.24Å; D751-R753 IonicContact OD1-NH2 3.99Å; D751-R753 PolarHBondContact OD1-NH2 3.18Å; D751-R753 IonicContact OD2-CZ 2.73Å; D751-R753 IonicContact OD2-NH1 3.77Å; D751-R753 PolarHBondContact OD2-NH1 3.25Å; D751-R753 IonicContact OD2-NH2 3.24Å; R753-N875 WeakPolarHBondContact CA-OD1 3.37Å; R753-N875 PolarHBondContact O-ND2 3.29Å; R753-N875 PolarHBondContact O-OD1 3.18Å; R753-Q878 HydrophobicContact CG-CG 4.19Å; R753-D880 PolarHBondContact NE-O 2.95Å; R753-D880 PolarHBondContact NH2-O 2.95Å; R753-F881 HydrophobicContact CB-CD1 4.44Å; R753-F881 HydrophobicContact CB-CE1 4.43Å; R753-F881 HydrophobicContact CG-CD1 4.14Å; R753-F881 HydrophobicContact CG-CE1 4.35Å; R753-H882 PolarHBondContact NH1-CE1 3.39Å; R753-H882 PolarHBondContact NH2-NE2 2.98Å; R753-E904 HydrophobicContact CB-CB 3.81Å; R753-E904 WeakPolarHBondContact CD-OE2 3.38Å; R753-E904 PolarHBondContact O-N 3.42Å; R753-E904 VanDerWaalsContact O-N 3.17Å
754	S	97.9	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-141.3	118.4	-172.7	176.1	0	0	0	0	113	T752 H756 L757 T758 C902 T903	T752-S754 PolarHBondContact O-N 2.92Å; T752-S754 PolarHBondContact OG1-N 3.18Å; S754-H756 VanDerWaalsContact C-N 3.25Å; S754-H756 PolarHBondContact O-N 2.91Å; S754-H756 PolarHBondContact OG-N 3.15Å; S754-L757 PolarHBondContact OG-N 3.46Å; S754-T758 WeakPolarHBondContact O-CB 3.35Å; S754-T758 PolarHBondContact O-N 3.09Å; S754-T758 PolarHBondContact O-OG1 3.35Å; S754-C902 WeakPolarHBondContact CA-O 3.22Å; S754-T903 PolarHBondContact OG-OG1 3.39Å
755	D	97.1	Very high	96.6	Very high	18 Å²	18	31.2 Å²	31.2	10%	0.096	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-36.7	170.4	-68.2	-62.8	0	0	0	111.3	T758 V759 S873 V874 D901 C902	D755-T758 VanDerWaalsContact O-CB 3.25Å; D755-T758 WeakPolarHBondContact O-CB 3.42Å; D755-T758 PolarHBondContact O-N 2.88Å; D755-V759 PolarHBondContact O-N 3.33Å; D755-S873 VanDerWaalsContact OD1-CA 3.25Å; D755-S873 WeakPolarHBondContact OD1-CA 3.3Å; D755-S873 PolarHBondContact OD1-OG 3.27Å; D755-S873 VanDerWaalsContact OD2-CB 3.32Å; D755-S873 WeakPolarHBondContact OD2-CB 3.2Å; D755-S873 PolarHBondContact OD2-OG 2.9Å; D755-V874 WeakPolarHBondContact OD1-CG2 3.4Å; D755-V874 PolarHBondContact OD1-N 2.98Å; D755-D901 HydrophobicContact CB-CB 4.15Å; D755-C902 PolarHBondContact N-O 2.79Å; D755-C902 PolarHBondContact OD2-N 3.45Å
756	H	98.1	Very high	96.9	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-46.9	-179.5	-55.5	86.3	0	0	0	112.1	I721 S754 T758 V759 V760 I835 T903	I721-H756 HydrophobicContact CD1-CB 4.18Å; I721-H756 HydrophobicContact CG1-CB 4.22Å; I721-H756 HydrophobicContact CG2-CB 4.05Å; S754-H756 VanDerWaalsContact C-N 3.25Å; S754-H756 PolarHBondContact O-N 2.91Å; S754-H756 PolarHBondContact OG-N 3.15Å; H756-T758 VanDerWaalsContact C-N 3.27Å; H756-T758 PolarHBondContact O-N 3.4Å; H756-V759 WeakPolarHBondContact O-CB 3.38Å; H756-V759 PolarHBondContact O-N 2.85Å; H756-V760 PolarHBondContact O-N 2.96Å; H756-I835 HydrophobicContact CB-CD1 3.97Å; H756-T903 PolarHBondContact ND1-OG1 2.9Å
757	L	98.3	Very high	97	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-70.7	-24.2	174.2	-66.2	169.2	0	0	0	112.4	T752 S754 V759 V760 N761 E828 I831 K832	T752-L757 HydrophobicContact CG2-CB 4.15Å; T752-L757 HydrophobicContact CG2-CD1 4.03Å; S754-L757 PolarHBondContact OG-N 3.46Å; L757-V759 VanDerWaalsContact C-N 3.28Å; L757-V759 PolarHBondContact O-N 3.17Å; L757-V760 HydrophobicContact CD2-CG2 4.45Å; L757-V760 PolarHBondContact O-N 3.48Å; L757-N761 PolarHBondContact O-N 2.93Å; L757-N761 PolarHBondContact O-ND2 3.34Å; L757-E828 HydrophobicContact CD1-CG 3.6Å; L757-I831 HydrophobicContact CD2-CB 4.33Å; L757-I831 HydrophobicContact CD2-CD1 4.3Å; L757-I831 HydrophobicContact CD2-CG2 3.76Å; L757-K832 HydrophobicContact CD1-CG 4.26Å
758	T	98.3	Very high	97	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-37.2	170.5	-55	0	0	0	0	111.2	F731 R745 L748 A749 S754 D755 H756 A762 V874	F731-T758 HydrophobicContact CE2-CG2 4.2Å; F731-T758 HydrophobicContact CZ-CG2 3.85Å; R745-T758 HydrophobicContact CG-CG2 3.93Å; R745-T758 WeakPolarHBondContact O-CG2 3.48Å; L748-T758 HydrophobicContact CB-CG2 3.85Å; A749-T758 VanDerWaalsContact CA-OG1 3.24Å; A749-T758 WeakPolarHBondContact CA-OG1 3.37Å; A749-T758 HydrophobicContact CB-CG2 4.29Å; A749-T758 VanDerWaalsContact CB-OG1 3.23Å; A749-T758 WeakPolarHBondContact CB-OG1 3.35Å; S754-T758 WeakPolarHBondContact O-CB 3.35Å; S754-T758 PolarHBondContact O-N 3.09Å; S754-T758 PolarHBondContact O-OG1 3.35Å; D755-T758 VanDerWaalsContact O-CB 3.25Å; D755-T758 WeakPolarHBondContact O-CB 3.42Å; D755-T758 PolarHBondContact O-N 2.88Å; H756-T758 VanDerWaalsContact C-N 3.27Å; H756-T758 PolarHBondContact O-N 3.4Å; T758-A762 WeakPolarHBondContact O-CB 3.37Å; T758-A762 PolarHBondContact O-N 2.92Å; T758-A762 VanDerWaalsContact O-N 3.1Å; T758-V874 HydrophobicContact CG2-CG1 4.24Å
759	V	97.8	Very high	96.9	Very high	8 Å²	8	25.7 Å²	25.7	5%	0.048	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-39.9	172.7	179.5	0	0	0	0	111.7	D729 P730 F731 D755 H756 L757 A762 F763	D729-V759 HydrophobicContact CB-CG2 4.2Å; P730-V759 HydrophobicContact CG-CG1 4.22Å; F731-V759 HydrophobicContact CE2-CG2 4.17Å; D755-V759 PolarHBondContact O-N 3.33Å; H756-V759 WeakPolarHBondContact O-CB 3.38Å; H756-V759 PolarHBondContact O-N 2.85Å; L757-V759 VanDerWaalsContact C-N 3.28Å; L757-V759 PolarHBondContact O-N 3.17Å; V759-A762 PolarHBondContact O-N 3.18Å; V759-F763 WeakPolarHBondContact O-CB 3.4Å; V759-F763 PolarHBondContact O-N 3Å
760	V	98.4	Very high	96.7	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-53.3	174.5	176.9	0	0	0	0	110.8	P717 I721 H756 L757 A762 F763 E764	P717-V760 HydrophobicContact CB-CG1 3.77Å; P717-V760 HydrophobicContact CB-CG2 4.04Å; I721-V760 HydrophobicContact CD1-CG2 3.78Å; I721-V760 HydrophobicContact CG1-CG2 3.58Å; H756-V760 PolarHBondContact O-N 2.96Å; L757-V760 HydrophobicContact CD2-CG2 4.45Å; L757-V760 PolarHBondContact O-N 3.48Å; V760-A762 VanDerWaalsContact C-N 3.27Å; V760-A762 PolarHBondContact O-N 2.86Å; V760-F763 PolarHBondContact O-N 3.49Å; V760-E764 HydrophobicContact CG1-CG 4.34Å; V760-E764 WeakPolarHBondContact CG1-OE1 3.46Å; V760-E764 WeakPolarHBondContact O-CG 3.37Å; V760-E764 PolarHBondContact O-N 3.27Å
761	N	98.3	Very high	96.7	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-38.2	178.5	-71.3	-43.7	0	0	0	112.5	L748 K750 L757 G765	L748-N761 VanDerWaalsContact O-CB 3.31Å; L748-N761 WeakPolarHBondContact O-CB 3.48Å; L748-N761 PolarHBondContact O-ND2 3.06Å; K750-N761 WeakPolarHBondContact CE-OD1 3.32Å; K750-N761 PolarHBondContact NZ-OD1 2.93Å; L757-N761 PolarHBondContact O-N 2.93Å; L757-N761 PolarHBondContact O-ND2 3.34Å; N761-G765 PolarHBondContact O-N 3.16Å; N761-G765 VanDerWaalsContact O-N 3.17Å
762	A	97.7	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-38.1	176.5	0	0	0	0	0	112.7	F731 L748 T758 V759 V760 W766 Y780 L786	F731-A762 HydrophobicContact CE1-CB 4.49Å; F731-A762 HydrophobicContact CZ-CB 3.92Å; L748-A762 HydrophobicContact CD1-CB 4.01Å; T758-A762 WeakPolarHBondContact O-CB 3.37Å; T758-A762 PolarHBondContact O-N 2.92Å; T758-A762 VanDerWaalsContact O-N 3.1Å; V759-A762 PolarHBondContact O-N 3.18Å; V760-A762 VanDerWaalsContact C-N 3.27Å; V760-A762 PolarHBondContact O-N 2.86Å; A762-W766 WeakPolarHBondContact O-CB 3.45Å; A762-W766 PolarHBondContact O-N 3.14Å; A762-W766 VanDerWaalsContact O-N 3.1Å; A762-Y780 WeakPolarHBondContact O-CE1 3.4Å; A762-Y780 PolarHBondContact O-OH 2.89Å; A762-L786 HydrophobicContact CB-CD1 4.21Å; A762-L786 HydrophobicContact CB-CD2 4.13Å
763	F	98	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71	-46.6	179.9	-170.5	-84.2	0	0	0	111.7	T720 V759 V760 G765 W766 E767 L791 L794 H795 K798	T720-F763 HydrophobicContact CG2-CB 3.67Å; T720-F763 HydrophobicContact CG2-CD1 4.11Å; T720-F763 HydrophobicContact CG2-CD2 3.95Å; T720-F763 HydrophobicContact CG2-CG 3.64Å; V759-F763 WeakPolarHBondContact O-CB 3.4Å; V759-F763 PolarHBondContact O-N 3Å; V760-F763 PolarHBondContact O-N 3.49Å; F763-G765 PolarHBondContact O-N 2.97Å; F763-W766 HydrophobicContact CD2-CE3 4.34Å; F763-W766 HydrophobicContact CD2-CZ3 4.44Å; F763-W766 HydrophobicContact CE1-CZ3 4.4Å; F763-W766 HydrophobicContact CE2-CE3 4.19Å; F763-W766 AromaticContact CE2-CZ3 3.84Å; F763-W766 HydrophobicContact CE2-CZ3 3.84Å; F763-W766 HydrophobicContact CZ-CE3 4.33Å; F763-W766 AromaticContact CZ-CZ3 3.82Å; F763-W766 HydrophobicContact CZ-CZ3 3.82Å; F763-W766 PolarHBondContact O-N 3.24Å; F763-E767 HydrophobicContact CD1-CG 4.12Å; F763-E767 HydrophobicContact CE1-CG 3.82Å; F763-E767 WeakPolarHBondContact CE1-OE1 2.98Å; F763-E767 WeakPolarHBondContact CE1-OE2 3.18Å; F763-E767 PolarHBondContact O-N 3.35Å; F763-L791 HydrophobicContact CB-CD2 4.43Å; F763-L791 HydrophobicContact CD2-CD2 3.82Å; F763-L791 WeakPolarHBondContact CE2-O 3.34Å; F763-L794 HydrophobicContact CD2-CB 4.28Å; F763-L794 HydrophobicContact CE2-CB 3.87Å; F763-H795 HydrophobicContact CE2-CB 4.21Å; F763-H795 HydrophobicContact CZ-CB 3.82Å; F763-K798 HydrophobicContact CE1-CD 3.93Å; F763-K798 VanDerWaalsContact CE1-NZ 3.26Å; F763-K798 HydrophobicContact CE2-CD 4.35Å; F763-K798 HydrophobicContact CZ-CD 3.73Å
764	E	97.1	Very high	95.6	Very high	81 Å²	81	42.8 Å²	42.8	38%	0.379	20%	0.196	S	C	.	.	H	α-helix	trans	-60.3	-43.7	176.1	-70	174.6	172.4	0	0	111.9	V760 W766 E767 E768	V760-E764 HydrophobicContact CG1-CG 4.34Å; V760-E764 WeakPolarHBondContact CG1-OE1 3.46Å; V760-E764 WeakPolarHBondContact O-CG 3.37Å; V760-E764 PolarHBondContact O-N 3.27Å; E764-W766 VanDerWaalsContact C-N 3.33Å; E764-W766 PolarHBondContact O-N 3.38Å; E764-E767 PolarHBondContact O-N 2.85Å; E764-E768 PolarHBondContact O-N 3.3Å
765	G	97.7	Very high	95	Very high	21 Å²	21	52 Å²	52	22%	0.216	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-38	175.7	0	0	0	0	0	112.8	N761 F763 A769	N761-G765 PolarHBondContact O-N 3.16Å; N761-G765 VanDerWaalsContact O-N 3.17Å; F763-G765 PolarHBondContact O-N 2.97Å; G765-A769 VanDerWaalsContact O-CB 3.31Å; G765-A769 WeakPolarHBondContact O-CB 3.12Å; G765-A769 PolarHBondContact O-N 2.91Å
766	W	97.6	Very high	94.7	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-40.9	173	166.6	77	0	0	0	112.5	A762 F763 E764 A769 R770 E777 Y780 L791 Q792 H795	A762-W766 WeakPolarHBondContact O-CB 3.45Å; A762-W766 PolarHBondContact O-N 3.14Å; A762-W766 VanDerWaalsContact O-N 3.1Å; F763-W766 HydrophobicContact CD2-CE3 4.34Å; F763-W766 HydrophobicContact CD2-CZ3 4.44Å; F763-W766 HydrophobicContact CE1-CZ3 4.4Å; F763-W766 HydrophobicContact CE2-CE3 4.19Å; F763-W766 AromaticContact CE2-CZ3 3.84Å; F763-W766 HydrophobicContact CE2-CZ3 3.84Å; F763-W766 HydrophobicContact CZ-CE3 4.33Å; F763-W766 AromaticContact CZ-CZ3 3.82Å; F763-W766 HydrophobicContact CZ-CZ3 3.82Å; F763-W766 PolarHBondContact O-N 3.24Å; E764-W766 VanDerWaalsContact C-N 3.33Å; E764-W766 PolarHBondContact O-N 3.38Å; W766-A769 PolarHBondContact O-N 3.03Å; W766-R770 WeakPolarHBondContact O-CB 3.38Å; W766-R770 PolarHBondContact O-N 3.36Å; W766-E777 VanDerWaalsContact NE1-CD 3.35Å; W766-E777 VanDerWaalsContact NE1-CG 3.33Å; W766-E777 PolarHBondContact NE1-OE1 2.93Å; W766-Y780 HydrophobicContact CB-CD1 4.03Å; W766-Y780 HydrophobicContact CB-CE1 3.89Å; W766-Y780 VanDerWaalsContact N-CE1 3.28Å; W766-L791 HydrophobicContact CB-CD1 3.94Å; W766-L791 HydrophobicContact CD2-CB 3.76Å; W766-L791 HydrophobicContact CD2-CD1 4.05Å; W766-L791 HydrophobicContact CD2-CG 4.32Å; W766-L791 HydrophobicContact CE3-CB 3.94Å; W766-L791 HydrophobicContact CE3-CD2 4.46Å; W766-L791 HydrophobicContact CG-CB 4.28Å; W766-L791 HydrophobicContact CG-CD1 3.64Å; W766-L791 HydrophobicContact CG-CG 4.37Å; W766-L791 HydrophobicContact CH2-CB 4.15Å; W766-L791 HydrophobicContact CZ2-CB 3.99Å; W766-L791 HydrophobicContact CZ3-CB 4.13Å; W766-Q792 HydrophobicContact CZ2-CB 4.48Å; W766-H795 HydrophobicContact CH2-CB 4.27Å; W766-H795 HydrophobicContact CZ3-CB 4.3Å
767	E	96	Very high	94.2	Very high	27 Å²	27	58.3 Å²	58.3	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-39.8	176.6	-72.6	-174.9	125.4	0	0	112.5	F763 E764 R770 R771 H795 K817	F763-E767 HydrophobicContact CD1-CG 4.12Å; F763-E767 HydrophobicContact CE1-CG 3.82Å; F763-E767 WeakPolarHBondContact CE1-OE1 2.98Å; F763-E767 WeakPolarHBondContact CE1-OE2 3.18Å; F763-E767 PolarHBondContact O-N 3.35Å; E764-E767 PolarHBondContact O-N 2.85Å; E767-R770 PolarHBondContact O-N 2.95Å; E767-R771 PolarHBondContact O-N 3.18Å; E767-H795 IonicContact OE1-CD2 2.63Å; E767-K817 WeakPolarHBondContact OE1-CE 3.44Å; E767-K817 IonicContact OE1-NZ 2.82Å; E767-K817 WeakPolarHBondContact OE2-CE 3.31Å; E767-K817 IonicContact OE2-NZ 3.76Å; E767-K817 PolarHBondContact OE2-NZ 3.17Å
768	E	96.6	Very high	93.1	Very high	62 Å²	62	64.5 Å²	64.5	29%	0.29	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-47	172	175	63.5	-145.2	0	0	111.3	E764 R770 R771 R772	E764-E768 PolarHBondContact O-N 3.3Å; E768-R770 VanDerWaalsContact C-N 3.33Å; E768-R770 PolarHBondContact O-N 3.5Å; E768-R771 PolarHBondContact O-N 3.35Å; E768-R771 IonicContact OE1-NH1 2.66Å; E768-R771 IonicContact OE2-CZ 3.45Å; E768-R771 IonicContact OE2-NH1 2.71Å; E768-R771 PolarHBondContact OE2-NH1 3.17Å; E768-R771 IonicContact OE2-NH2 2.66Å; E768-R771 PolarHBondContact OE2-NH2 2.86Å; E768-R772 WeakPolarHBondContact O-CG 3.35Å; E768-R772 PolarHBondContact O-N 3.05Å; E768-R772 VanDerWaalsContact O-N 3.17Å; E768-R772 IonicContact OE1-CZ 3.25Å; E768-R772 IonicContact OE1-NE 3.13Å; E768-R772 PolarHBondContact OE1-NE 3.19Å; E768-R772 IonicContact OE1-NH2 2.97Å; E768-R772 PolarHBondContact OE1-NH2 3.03Å
769	A	95.5	Very high	92.6	Very high	7 Å²	7	68.5 Å²	68.5	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-41.7	176.8	0	0	0	0	0	111.9	G765 W766 R772 G773 Y776 Y780	G765-A769 VanDerWaalsContact O-CB 3.31Å; G765-A769 WeakPolarHBondContact O-CB 3.12Å; G765-A769 PolarHBondContact O-N 2.91Å; W766-A769 PolarHBondContact O-N 3.03Å; A769-R772 WeakPolarHBondContact O-CB 3.41Å; A769-R772 PolarHBondContact O-N 2.73Å; A769-R772 VanDerWaalsContact O-N 3.16Å; A769-G773 PolarHBondContact O-N 2.59Å; A769-Y776 WeakPolarHBondContact O-CB 3.38Å; A769-Y780 HydrophobicContact CB-CD1 4.46Å; A769-Y780 HydrophobicContact CB-CG 4Å
770	R	90.9	Very high	92.4	Very high	101 Å²	101	69.7 Å²	69.7	38%	0.381	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-40.5	175	-175.7	-179.2	178.7	165.3	8.5	112.4	W766 E767 E768 R772 G773 E777 Q792	W766-R770 WeakPolarHBondContact O-CB 3.38Å; W766-R770 PolarHBondContact O-N 3.36Å; E767-R770 PolarHBondContact O-N 2.95Å; E768-R770 VanDerWaalsContact C-N 3.33Å; E768-R770 PolarHBondContact O-N 3.5Å; R770-R772 PolarHBondContact O-N 3.09Å; R770-G773 PolarHBondContact O-N 3.45Å; R770-E777 HydrophobicContact CB-CG 4.2Å; R770-Q792 VanDerWaalsContact CZ-OE1 3.25Å
771	R	94.3	Very high	91.5	Very high	182 Å²	182	70 Å²	70	69%	0.687	31%	0.308	S	S	*	.	H	α-helix	trans	-62	-29.5	173.5	-82.5	-167.4	-78	100.6	-0.5	113	E767 E768 G773	E767-R771 PolarHBondContact O-N 3.18Å; E768-R771 PolarHBondContact O-N 3.35Å; E768-R771 IonicContact OE1-NH1 2.66Å; E768-R771 IonicContact OE2-CZ 3.45Å; E768-R771 IonicContact OE2-NH1 2.71Å; E768-R771 PolarHBondContact OE2-NH1 3.17Å; E768-R771 IonicContact OE2-NH2 2.66Å; E768-R771 PolarHBondContact OE2-NH2 2.86Å; R771-G773 VanDerWaalsContact C-N 3.31Å
772	R	94.3	Very high	90.6	Very high	156 Å²	156	77.8 Å²	77.8	59%	0.589	34%	0.336	S	S	*	.	H	α-helix	trans	-78.5	-13	173.6	-62.6	173.4	-171.2	-168.4	1.9	113.6	E768 A769 R770 Y776	E768-R772 WeakPolarHBondContact O-CG 3.35Å; E768-R772 PolarHBondContact O-N 3.05Å; E768-R772 VanDerWaalsContact O-N 3.17Å; E768-R772 IonicContact OE1-CZ 3.25Å; E768-R772 IonicContact OE1-NE 3.13Å; E768-R772 PolarHBondContact OE1-NE 3.19Å; E768-R772 IonicContact OE1-NH2 2.97Å; E768-R772 PolarHBondContact OE1-NH2 3.03Å; A769-R772 WeakPolarHBondContact O-CB 3.41Å; A769-R772 PolarHBondContact O-N 2.73Å; A769-R772 VanDerWaalsContact O-N 3.16Å; R770-R772 PolarHBondContact O-N 3.09Å; R772-Y776 HydrophobicContact CB-CD2 3.62Å; R772-Y776 HydrophobicContact CB-CE2 4.22Å; R772-Y776 HydrophobicContact CB-CG 3.88Å; R772-Y776 VanDerWaalsContact O-CD2 3.32Å; R772-Y776 WeakPolarHBondContact O-CD2 3.45Å
773	G	88.4	Confident	90.2	Very high	29 Å²	29	81.8 Å²	81.8	30%	0.299	36%	0.355	S	S	.	.			trans	114.9	162.8	173.9	0	0	0	0	0	114.1	A769 R770 R771 R775 Y776 E777	A769-G773 PolarHBondContact O-N 2.59Å; R770-G773 PolarHBondContact O-N 3.45Å; R771-G773 VanDerWaalsContact C-N 3.31Å; G773-R775 PolarHBondContact O-N 2.8Å; G773-Y776 PolarHBondContact O-N 2.94Å; G773-E777 PolarHBondContact O-N 3.03Å; G773-E777 VanDerWaalsContact O-N 3.16Å
774	F	80.1	Confident	89.8	Confident	158 Å²	158	83.4 Å²	83.4	69%	0.693	36%	0.362	S	S	*	.	H	α-helix	trans	-53.7	-30.9	-168.8	-176.2	-109.3	0	0	0	115.5	K778	F774-K778 WeakPolarHBondContact O-CB 3.28Å; F774-K778 PolarHBondContact O-N 2.9Å; F774-K778 VanDerWaalsContact O-N 3.08Å
775	R	84.5	Confident	89	Confident	195 Å²	195	80.7 Å²	80.7	74%	0.736	35%	0.348	S	S	*	.	H	α-helix	trans	-64.9	-50.3	176.3	-165.2	-179.4	-164.5	164	7.3	111.3	G773 E777 K778 D779	G773-R775 PolarHBondContact O-N 2.8Å; R775-E777 VanDerWaalsContact C-N 3.32Å; R775-E777 PolarHBondContact O-N 3.25Å; R775-K778 PolarHBondContact O-N 2.87Å; R775-D779 WeakPolarHBondContact O-CB 3.25Å; R775-D779 PolarHBondContact O-N 3.31Å
776	Y	91.9	Very high	88.2	Confident	138 Å²	138	80.2 Å²	80.2	54%	0.541	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-37.8	177.5	-65.3	-79.2	0	0	0	111.9	A769 R772 G773 K778 D779 Y780	A769-Y776 WeakPolarHBondContact O-CB 3.38Å; R772-Y776 HydrophobicContact CB-CD2 3.62Å; R772-Y776 HydrophobicContact CB-CE2 4.22Å; R772-Y776 HydrophobicContact CB-CG 3.88Å; R772-Y776 VanDerWaalsContact O-CD2 3.32Å; R772-Y776 WeakPolarHBondContact O-CD2 3.45Å; G773-Y776 PolarHBondContact O-N 2.94Å; Y776-K778 PolarHBondContact O-N 2.72Å; Y776-D779 PolarHBondContact O-N 3.36Å; Y776-Y780 VanDerWaalsContact O-CB 3.24Å; Y776-Y780 WeakPolarHBondContact O-CB 3.3Å; Y776-Y780 PolarHBondContact O-N 3.39Å
777	E	86.3	Confident	87.3	Confident	19 Å²	19	81 Å²	81	9%	0.089	35%	0.347	C	S	.	.	H	α-helix	trans	-56.8	-48.8	173	-165.6	-162.5	149.6	0	0	111.6	W766 R770 G773 R775 C781 S788	W766-E777 VanDerWaalsContact NE1-CD 3.35Å; W766-E777 VanDerWaalsContact NE1-CG 3.33Å; W766-E777 PolarHBondContact NE1-OE1 2.93Å; R770-E777 HydrophobicContact CB-CG 4.2Å; G773-E777 PolarHBondContact O-N 3.03Å; G773-E777 VanDerWaalsContact O-N 3.16Å; R775-E777 VanDerWaalsContact C-N 3.32Å; R775-E777 PolarHBondContact O-N 3.25Å; E777-C781 WeakPolarHBondContact O-CB 3.43Å; E777-C781 PolarHBondContact O-N 3.47Å; E777-C781 PolarHBondContact O-SG 3.28Å; E777-S788 PolarHBondContact OE1-OG 3.02Å
778	K	76.3	Confident	86.2	Confident	141 Å²	141	81.7 Å²	81.7	61%	0.613	35%	0.354	S	S	*	.	H	α-helix	trans	-66.8	-42.9	-179.5	-172.6	176.6	-178.9	178.4	0	112.1	F774 R775 Y776 C781 W782	F774-K778 WeakPolarHBondContact O-CB 3.28Å; F774-K778 PolarHBondContact O-N 2.9Å; F774-K778 VanDerWaalsContact O-N 3.08Å; R775-K778 PolarHBondContact O-N 2.87Å; Y776-K778 PolarHBondContact O-N 2.72Å; K778-C781 PolarHBondContact O-N 3.49Å; K778-W782 WeakPolarHBondContact O-CB 3.32Å; K778-W782 PolarHBondContact O-N 2.95Å
779	D	86.9	Confident	84.7	Confident	84 Å²	84	84 Å²	84	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-42.9	179	-65.6	-22.5	0	0	0	110.7	R775 Y776 W782 E783	R775-D779 WeakPolarHBondContact O-CB 3.25Å; R775-D779 PolarHBondContact O-N 3.31Å; Y776-D779 PolarHBondContact O-N 3.36Å; D779-W782 PolarHBondContact O-N 3.46Å; D779-E783 WeakPolarHBondContact O-CB 3.41Å; D779-E783 PolarHBondContact O-N 2.7Å
780	Y	94.8	Very high	83.6	Confident	33 Å²	33	83.9 Å²	83.9	13%	0.129	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-46.4	174.2	-177.2	-96.4	0	0	0	112.3	A762 W766 A769 Y776 W782 E783 Y784 L786	A762-Y780 WeakPolarHBondContact O-CE1 3.4Å; A762-Y780 PolarHBondContact O-OH 2.89Å; W766-Y780 HydrophobicContact CB-CD1 4.03Å; W766-Y780 HydrophobicContact CB-CE1 3.89Å; W766-Y780 VanDerWaalsContact N-CE1 3.28Å; A769-Y780 HydrophobicContact CB-CD1 4.46Å; A769-Y780 HydrophobicContact CB-CG 4Å; Y776-Y780 VanDerWaalsContact O-CB 3.24Å; Y776-Y780 WeakPolarHBondContact O-CB 3.3Å; Y776-Y780 PolarHBondContact O-N 3.39Å; Y780-W782 VanDerWaalsContact C-N 3.27Å; Y780-W782 PolarHBondContact O-N 3.21Å; Y780-E783 PolarHBondContact O-N 3.35Å; Y780-Y784 AromaticContact CD2-CD2 3.63Å; Y780-Y784 HydrophobicContact CD2-CD2 3.63Å; Y780-Y784 AromaticContact CD2-CE2 3.71Å; Y780-Y784 HydrophobicContact CD2-CE2 3.71Å; Y780-Y784 HydrophobicContact CE1-CD2 4.39Å; Y780-Y784 AromaticContact CE2-CD2 3.4Å; Y780-Y784 HydrophobicContact CE2-CD2 3.4Å; Y780-Y784 AromaticContact CE2-CE2 3.4Å; Y780-Y784 HydrophobicContact CE2-CE2 3.4Å; Y780-Y784 HydrophobicContact CE2-CG 4.38Å; Y780-Y784 HydrophobicContact CG-CD2 4.22Å; Y780-Y784 AromaticContact CZ-CD2 3.8Å; Y780-Y784 PolarHBondContact O-N 2.86Å; Y780-Y784 VanDerWaalsContact O-N 3.1Å; Y780-L786 HydrophobicContact CD1-CD1 3.98Å; Y780-L786 HydrophobicContact CE1-CD1 3.43Å; Y780-L786 VanDerWaalsContact CE1-CD1 3.43Å
781	C	78.3	Confident	83.2	Confident	12 Å²	12	79.1 Å²	79.1	8%	0.081	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-34.5	176.9	-68.9	0	0	0	0	112.4	E777 K778 F785 L786	E777-C781 WeakPolarHBondContact O-CB 3.43Å; E777-C781 PolarHBondContact O-N 3.47Å; E777-C781 PolarHBondContact O-SG 3.28Å; K778-C781 PolarHBondContact O-N 3.49Å; C781-F785 WeakPolarHBondContact O-CA 3.42Å; C781-F785 PolarHBondContact O-N 2.98Å; C781-L786 HydrophobicContact CB-CB 4.38Å; C781-L786 PolarHBondContact O-N 2.87Å
782	W	79.6	Confident	82.4	Confident	186 Å²	186	72.8 Å²	72.8	71%	0.705	33%	0.328	S	S	*	.	H	α-helix	trans	-72.2	-43.3	176.5	-179.7	-103	0	0	0	112.6	K778 D779 Y780	K778-W782 WeakPolarHBondContact O-CB 3.32Å; K778-W782 PolarHBondContact O-N 2.95Å; D779-W782 PolarHBondContact O-N 3.46Å; Y780-W782 VanDerWaalsContact C-N 3.27Å; Y780-W782 PolarHBondContact O-N 3.21Å
783	E	90	Very high	81.2	Confident	85 Å²	85	66.8 Å²	66.8	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-42.8	-179.2	177	163.8	-147.8	0	0	112.9	R744 D779 Y780	R744-E783 IonicContact CZ-OE1 3.91Å; R744-E783 VanDerWaalsContact CZ-OE1 3.3Å; R744-E783 IonicContact NH1-OE1 2.69Å; R744-E783 IonicContact NH2-OE1 3.28Å; R744-E783 PolarHBondContact NH2-OE1 2.66Å; D779-E783 WeakPolarHBondContact O-CB 3.41Å; D779-E783 PolarHBondContact O-N 2.7Å; Y780-E783 PolarHBondContact O-N 3.35Å
784	Y	89.4	Confident	80.9	Confident	34 Å²	34	65.4 Å²	65.4	13%	0.133	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.9	-177.5	-69	-79.2	0	0	0	114.3	R744 E747 L748 Y780	R744-Y784 HydrophobicContact CB-CD1 4.13Å; E747-Y784 PolarHBondContact OE1-OH 3.21Å; L748-Y784 HydrophobicContact CD1-CD1 3.38Å; L748-Y784 HydrophobicContact CD1-CE1 4.13Å; L748-Y784 HydrophobicContact CD1-CG 3.87Å; L748-Y784 HydrophobicContact CD2-CD1 3.95Å; L748-Y784 HydrophobicContact CD2-CE1 3.91Å; L748-Y784 HydrophobicContact CD2-CG 4.5Å; L748-Y784 HydrophobicContact CG-CD1 3.53Å; L748-Y784 HydrophobicContact CG-CE1 3.75Å; L748-Y784 HydrophobicContact CG-CG 4.36Å; Y780-Y784 AromaticContact CD2-CD2 3.63Å; Y780-Y784 HydrophobicContact CD2-CD2 3.63Å; Y780-Y784 AromaticContact CD2-CE2 3.71Å; Y780-Y784 HydrophobicContact CD2-CE2 3.71Å; Y780-Y784 HydrophobicContact CE1-CD2 4.39Å; Y780-Y784 AromaticContact CE2-CD2 3.4Å; Y780-Y784 HydrophobicContact CE2-CD2 3.4Å; Y780-Y784 AromaticContact CE2-CE2 3.4Å; Y780-Y784 HydrophobicContact CE2-CE2 3.4Å; Y780-Y784 HydrophobicContact CE2-CG 4.38Å; Y780-Y784 HydrophobicContact CG-CD2 4.22Å; Y780-Y784 AromaticContact CZ-CD2 3.8Å; Y780-Y784 PolarHBondContact O-N 2.86Å; Y780-Y784 VanDerWaalsContact O-N 3.1Å
785	F	80.7	Confident	81.2	Confident	23 Å²	23	61.5 Å²	61.5	10%	0.101	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	55	-178.5	-53.5	-87.5	0	0	0	112.7	F731 V732 P734 K737 I740 A741 R744 C781	F731-F785 WeakPolarHBondContact CA-O 3.49Å; V732-F785 HydrophobicContact CG2-CB 4.21Å; V732-F785 WeakPolarHBondContact CG2-O 3.37Å; V732-F785 PolarHBondContact N-O 3.17Å; V732-F785 WeakPolarHBondContact O-CB 3.41Å; P734-F785 HydrophobicContact CG-CD1 3.65Å; P734-F785 HydrophobicContact CG-CE1 3.82Å; K737-F785 HydrophobicContact CB-CE1 4.3Å; K737-F785 HydrophobicContact CB-CZ 4.46Å; K737-F785 HydrophobicContact CD-CE1 3.78Å; K737-F785 HydrophobicContact CD-CZ 4.21Å; I740-F785 HydrophobicContact CB-CE2 4.4Å; I740-F785 HydrophobicContact CB-CZ 4.35Å; I740-F785 HydrophobicContact CG2-CE2 3.97Å; I740-F785 HydrophobicContact CG2-CZ 4.05Å; A741-F785 HydrophobicContact CB-CB 4.48Å; A741-F785 HydrophobicContact CB-CD2 3.79Å; A741-F785 HydrophobicContact CB-CE2 4.14Å; A741-F785 HydrophobicContact CB-CG 4.07Å; R744-F785 HydrophobicContact CG-CD2 4.5Å; R744-F785 HydrophobicContact CG-CE2 4.23Å; C781-F785 WeakPolarHBondContact O-CA 3.42Å; C781-F785 PolarHBondContact O-N 2.98Å
786	L	81.1	Confident	80.8	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.058	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-110.2	144.8	-177.8	-58.2	169.9	0	0	0	112.2	P730 F731 A762 Y780 C781 L791	P730-L786 HydrophobicContact CB-CD2 4.14Å; P730-L786 HydrophobicContact CG-CD2 4Å; P730-L786 WeakPolarHBondContact O-CA 3.33Å; F731-L786 HydrophobicContact CD1-CD2 3.53Å; F731-L786 HydrophobicContact CE1-CD2 3.5Å; F731-L786 VanDerWaalsContact CE1-CD2 3.5Å; F731-L786 HydrophobicContact CG-CD2 4.16Å; F731-L786 HydrophobicContact CZ-CD2 4.1Å; A762-L786 HydrophobicContact CB-CD1 4.21Å; A762-L786 HydrophobicContact CB-CD2 4.13Å; Y780-L786 HydrophobicContact CD1-CD1 3.98Å; Y780-L786 HydrophobicContact CE1-CD1 3.43Å; Y780-L786 VanDerWaalsContact CE1-CD1 3.43Å; C781-L786 HydrophobicContact CB-CB 4.38Å; C781-L786 PolarHBondContact O-N 2.87Å; L786-L791 HydrophobicContact CB-CD1 3.92Å; L786-L791 HydrophobicContact CD1-CD1 4.28Å
787	S	77.1	Confident	80.2	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.133	24%	0.237	C	C	.	.			trans	-88.9	104.1	171.5	176.7	0	0	0	0	110.9	P730 N789 T790 L791	P730-S787 PolarHBondContact O-N 3.49Å; S787-N789 PolarHBondContact O-N 3.47Å; S787-T790 VanDerWaalsContact CB-OG1 3.25Å; S787-T790 WeakPolarHBondContact CB-OG1 3.17Å; S787-T790 WeakPolarHBondContact O-CA 3.21Å; S787-T790 WeakPolarHBondContact O-CB 3.25Å; S787-T790 PolarHBondContact O-N 2.75Å; S787-T790 PolarHBondContact OG-N 2.97Å; S787-T790 PolarHBondContact OG-OG1 3.36Å; S787-L791 PolarHBondContact O-N 3.25Å
788	S	74.3	Confident	80.5	Confident	40 Å²	40	49 Å²	49	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-53.8	-38.7	173.1	167.3	0	0	0	0	112.1	E777 T790 L791 Q792	E777-S788 PolarHBondContact OE1-OG 3.02Å; S788-T790 VanDerWaalsContact C-N 3.31Å; S788-T790 PolarHBondContact O-N 3.1Å; S788-L791 PolarHBondContact O-N 2.9Å; S788-Q792 WeakPolarHBondContact O-CB 3.45Å; S788-Q792 PolarHBondContact O-N 3.3Å
789	N	64.6	Low	80.8	Confident	112 Å²	112	43.3 Å²	43.3	60%	0.599	22%	0.215	S	C	*	.	H	α-helix	trans	-58.9	-39.2	172.7	-71.9	-19.5	0	0	0	113.1	S787 M793	S787-N789 PolarHBondContact O-N 3.47Å; N789-M793 PolarHBondContact O-N 3.39Å
790	T	72	Confident	80.3	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-69.8	-47.3	176.7	-55.3	0	0	0	0	110	F727 K728 P730 S787 S788 Q792 M793 L794	F727-T790 HydrophobicContact CD1-CG2 4.29Å; F727-T790 HydrophobicContact CE1-CG2 3.83Å; K728-T790 HydrophobicContact CD-CG2 4.44Å; K728-T790 VanDerWaalsContact CE-OG1 3.27Å; K728-T790 WeakPolarHBondContact CE-OG1 3.42Å; K728-T790 HydrophobicContact CG-CG2 3.97Å; K728-T790 PolarHBondContact NZ-OG1 3.12Å; P730-T790 HydrophobicContact CB-CG2 4.2Å; S787-T790 VanDerWaalsContact CB-OG1 3.25Å; S787-T790 WeakPolarHBondContact CB-OG1 3.17Å; S787-T790 WeakPolarHBondContact O-CA 3.21Å; S787-T790 WeakPolarHBondContact O-CB 3.25Å; S787-T790 PolarHBondContact O-N 2.75Å; S787-T790 PolarHBondContact OG-N 2.97Å; S787-T790 PolarHBondContact OG-OG1 3.36Å; S788-T790 VanDerWaalsContact C-N 3.31Å; S788-T790 PolarHBondContact O-N 3.1Å; T790-Q792 VanDerWaalsContact C-N 3.34Å; T790-Q792 PolarHBondContact O-N 3.26Å; T790-M793 WeakPolarHBondContact O-CB 3.19Å; T790-M793 PolarHBondContact O-N 2.79Å; T790-L794 HydrophobicContact CG2-CD1 4.37Å; T790-L794 HydrophobicContact CG2-CG 4.4Å; T790-L794 WeakPolarHBondContact O-CG 3.1Å; T790-L794 PolarHBondContact O-N 3.44Å
791	L	82.8	Confident	80	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-42.5	177.9	-69	160.4	0	0	0	112.4	P730 F763 W766 L786 S787 S788 M793 L794 H795	P730-L791 HydrophobicContact CB-CD2 3.76Å; P730-L791 HydrophobicContact CB-CG 3.84Å; P730-L791 HydrophobicContact CG-CD2 4.03Å; F763-L791 HydrophobicContact CB-CD2 4.43Å; F763-L791 HydrophobicContact CD2-CD2 3.82Å; F763-L791 WeakPolarHBondContact CE2-O 3.34Å; W766-L791 HydrophobicContact CB-CD1 3.94Å; W766-L791 HydrophobicContact CD2-CB 3.76Å; W766-L791 HydrophobicContact CD2-CD1 4.05Å; W766-L791 HydrophobicContact CD2-CG 4.32Å; W766-L791 HydrophobicContact CE3-CB 3.94Å; W766-L791 HydrophobicContact CE3-CD2 4.46Å; W766-L791 HydrophobicContact CG-CB 4.28Å; W766-L791 HydrophobicContact CG-CD1 3.64Å; W766-L791 HydrophobicContact CG-CG 4.37Å; W766-L791 HydrophobicContact CH2-CB 4.15Å; W766-L791 HydrophobicContact CZ2-CB 3.99Å; W766-L791 HydrophobicContact CZ3-CB 4.13Å; L786-L791 HydrophobicContact CB-CD1 3.92Å; L786-L791 HydrophobicContact CD1-CD1 4.28Å; S787-L791 PolarHBondContact O-N 3.25Å; S788-L791 PolarHBondContact O-N 2.9Å; L791-M793 VanDerWaalsContact C-N 3.34Å; L791-M793 PolarHBondContact O-N 2.87Å; L791-L794 PolarHBondContact O-N 3.32Å; L791-H795 PolarHBondContact O-N 3.44Å
792	Q	77	Confident	80.5	Confident	49 Å²	49	39.7 Å²	39.7	23%	0.229	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-32.3	175.2	-176	57.9	82.6	0	0	112.9	W766 R770 S788 T790 N796	W766-Q792 HydrophobicContact CZ2-CB 4.48Å; R770-Q792 VanDerWaalsContact CZ-OE1 3.25Å; S788-Q792 WeakPolarHBondContact O-CB 3.45Å; S788-Q792 PolarHBondContact O-N 3.3Å; T790-Q792 VanDerWaalsContact C-N 3.34Å; T790-Q792 PolarHBondContact O-N 3.26Å; Q792-N796 PolarHBondContact NE2-OD1 3.21Å; Q792-N796 PolarHBondContact O-N 3.37Å; Q792-N796 PolarHBondContact O-ND2 2.71Å; Q792-N796 PolarHBondContact O-OD1 2.67Å
793	M	69.3	Low	80.7	Confident	30 Å²	30	34.2 Å²	34.2	15%	0.148	18%	0.177	C	C	.	.	H	α-helix	trans	-70	-44	171.7	180	57.2	85.8	0	0	111.4	L527 F727 N789 T790 L791 H795 N796 M797	L527-M793 WeakPolarHBondContact O-CE 3.42Å; F727-M793 HydrophobicContact CD1-CB 4.16Å; F727-M793 HydrophobicContact CD1-CG 3.71Å; F727-M793 HydrophobicContact CE1-CB 3.7Å; F727-M793 HydrophobicContact CE1-CG 3.57Å; F727-M793 HydrophobicContact CZ-CG 4.28Å; N789-M793 PolarHBondContact O-N 3.39Å; T790-M793 WeakPolarHBondContact O-CB 3.19Å; T790-M793 PolarHBondContact O-N 2.79Å; L791-M793 VanDerWaalsContact C-N 3.34Å; L791-M793 PolarHBondContact O-N 2.87Å; M793-H795 VanDerWaalsContact C-N 3.31Å; M793-H795 PolarHBondContact O-N 3.37Å; M793-N796 WeakPolarHBondContact O-CB 3.38Å; M793-N796 PolarHBondContact O-N 2.9Å; M793-M797 HydrophobicContact CG-CG 4.47Å; M793-M797 HydrophobicContact CG-SD 4.07Å; M793-M797 WeakPolarHBondContact O-CG 3.49Å; M793-M797 PolarHBondContact O-N 3.34Å; M793-M797 HydrophobicContact SD-CG 4.29Å; M793-M797 HydrophobicContact SD-SD 4.5Å
794	L	82.1	Confident	80.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-44.3	176	-63.9	179.9	0	0	0	111.3	A723 F727 F763 T790 L791 N796 M797 K798	A723-L794 HydrophobicContact CB-CB 4.31Å; A723-L794 HydrophobicContact CB-CD2 3.76Å; A723-L794 VanDerWaalsContact O-CD2 3.27Å; A723-L794 WeakPolarHBondContact O-CD2 3.08Å; F727-L794 HydrophobicContact CD1-CD2 4.1Å; F763-L794 HydrophobicContact CD2-CB 4.28Å; F763-L794 HydrophobicContact CE2-CB 3.87Å; T790-L794 HydrophobicContact CG2-CD1 4.37Å; T790-L794 HydrophobicContact CG2-CG 4.4Å; T790-L794 WeakPolarHBondContact O-CG 3.1Å; T790-L794 PolarHBondContact O-N 3.44Å; L791-L794 PolarHBondContact O-N 3.32Å; L794-N796 VanDerWaalsContact C-N 3.31Å; L794-N796 PolarHBondContact O-N 2.71Å; L794-M797 PolarHBondContact O-N 2.89Å; L794-M797 VanDerWaalsContact O-N 3.14Å; L794-K798 WeakPolarHBondContact O-CG 3.32Å; L794-K798 PolarHBondContact O-N 2.94Å
795	H	86.2	Confident	80.3	Confident	76 Å²	76	29.7 Å²	29.7	35%	0.352	16%	0.157	S	C	.	.	H	α-helix	trans	-54.1	-45.4	172.1	177.5	-79.9	0	0	0	112.4	F763 W766 E767 L791 M793 M797 K798 G799	F763-H795 HydrophobicContact CE2-CB 4.21Å; F763-H795 HydrophobicContact CZ-CB 3.82Å; W766-H795 HydrophobicContact CH2-CB 4.27Å; W766-H795 HydrophobicContact CZ3-CB 4.3Å; E767-H795 IonicContact OE1-CD2 2.63Å; L791-H795 PolarHBondContact O-N 3.44Å; M793-H795 VanDerWaalsContact C-N 3.31Å; M793-H795 PolarHBondContact O-N 3.37Å; H795-M797 VanDerWaalsContact C-N 3.34Å; H795-M797 PolarHBondContact O-N 3.41Å; H795-K798 PolarHBondContact O-N 2.87Å; H795-G799 PolarHBondContact O-N 3.04Å
796	N	75.6	Confident	80.6	Confident	61 Å²	61	32 Å²	32	33%	0.326	17%	0.17	S	C	.	.	H	α-helix	trans	-69.8	-30.2	179.9	-63.2	-9.1	0	0	0	112.5	Q792 M793 L794 Q800	Q792-N796 PolarHBondContact NE2-OD1 3.21Å; Q792-N796 PolarHBondContact O-N 3.37Å; Q792-N796 PolarHBondContact O-ND2 2.71Å; Q792-N796 PolarHBondContact O-OD1 2.67Å; M793-N796 WeakPolarHBondContact O-CB 3.38Å; M793-N796 PolarHBondContact O-N 2.9Å; L794-N796 VanDerWaalsContact C-N 3.31Å; L794-N796 PolarHBondContact O-N 2.71Å; N796-Q800 WeakPolarHBondContact O-CG 3.31Å; N796-Q800 PolarHBondContact O-N 3.45Å; N796-Q800 PolarHBondContact O-NE2 3.22Å
797	M	79.8	Confident	80.4	Confident	26 Å²	26	35 Å²	35	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-73	-38.1	174.6	-69.1	172.8	71.8	0	0	112	A723 F727 M793 L794 H795 G799 Q800 F801	A723-M797 HydrophobicContact CB-CB 3.73Å; A723-M797 HydrophobicContact CB-SD 4.47Å; F727-M797 HydrophobicContact CB-CE 3.94Å; F727-M797 HydrophobicContact CB-SD 3.72Å; F727-M797 HydrophobicContact CD1-SD 4.36Å; F727-M797 HydrophobicContact CG-SD 4.33Å; M793-M797 HydrophobicContact CG-CG 4.47Å; M793-M797 HydrophobicContact CG-SD 4.07Å; M793-M797 WeakPolarHBondContact O-CG 3.49Å; M793-M797 PolarHBondContact O-N 3.34Å; M793-M797 HydrophobicContact SD-CG 4.29Å; M793-M797 HydrophobicContact SD-SD 4.5Å; L794-M797 PolarHBondContact O-N 2.89Å; L794-M797 VanDerWaalsContact O-N 3.14Å; H795-M797 VanDerWaalsContact C-N 3.34Å; H795-M797 PolarHBondContact O-N 3.41Å; M797-G799 VanDerWaalsContact C-N 3.33Å; M797-G799 PolarHBondContact O-N 2.93Å; M797-Q800 PolarHBondContact O-N 3.47Å; M797-Q800 VanDerWaalsContact O-N 3.14Å; M797-F801 HydrophobicContact CB-CE2 4.34Å; M797-F801 HydrophobicContact CE-CZ 4.28Å; M797-F801 WeakPolarHBondContact O-CD2 3.48Å; M797-F801 WeakPolarHBondContact O-CG 3.27Å; M797-F801 PolarHBondContact O-N 3.37Å
798	K	92.2	Very high	80.7	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-54.8	-47.2	172.8	-69.1	172.7	66.4	169.6	0	111.8	D716 L719 T720 A723 F763 L794 H795 Q800 F801 A802 P816	D716-K798 WeakPolarHBondContact O-CE 3.15Å; D716-K798 PolarHBondContact O-NZ 2.99Å; D716-K798 WeakPolarHBondContact OD1-CE 3.32Å; D716-K798 IonicContact OD1-NZ 2.67Å; D716-K798 PolarHBondContact OD1-NZ 2.63Å; D716-K798 IonicContact OD2-NZ 3.43Å; D716-K798 PolarHBondContact OD2-NZ 3.34Å; L719-K798 HydrophobicContact CB-CB 4.19Å; L719-K798 HydrophobicContact CB-CG 3.93Å; L719-K798 WeakPolarHBondContact CD1-O 3.1Å; T720-K798 WeakPolarHBondContact OG1-CD 3.31Å; T720-K798 WeakPolarHBondContact OG1-CE 3.14Å; T720-K798 PolarHBondContact OG1-NZ 3.37Å; A723-K798 HydrophobicContact CB-CG 4.48Å; F763-K798 HydrophobicContact CE1-CD 3.93Å; F763-K798 VanDerWaalsContact CE1-NZ 3.26Å; F763-K798 HydrophobicContact CE2-CD 4.35Å; F763-K798 HydrophobicContact CZ-CD 3.73Å; L794-K798 WeakPolarHBondContact O-CG 3.32Å; L794-K798 PolarHBondContact O-N 2.94Å; H795-K798 PolarHBondContact O-N 2.87Å; K798-Q800 VanDerWaalsContact C-N 3.35Å; K798-Q800 PolarHBondContact O-N 2.91Å; K798-F801 PolarHBondContact O-N 3.44Å; K798-A802 PolarHBondContact O-N 3.09Å; K798-P816 HydrophobicContact CB-CB 4.33Å; K798-P816 HydrophobicContact CB-CG 3.98Å
799	G	84.2	Confident	81.3	Confident	21 Å²	21	33.5 Å²	33.5	22%	0.216	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-44.8	175.8	0	0	0	0	0	112.9	H795 M797 F801 A802 E803	H795-G799 PolarHBondContact O-N 3.04Å; M797-G799 VanDerWaalsContact C-N 3.33Å; M797-G799 PolarHBondContact O-N 2.93Å; G799-F801 PolarHBondContact O-N 3.05Å; G799-A802 PolarHBondContact O-N 3.32Å; G799-E803 WeakPolarHBondContact O-CG 3.2Å; G799-E803 PolarHBondContact O-N 3.29Å
800	Q	76.4	Confident	82.6	Confident	43 Å²	43	28.7 Å²	28.7	20%	0.201	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-41.9	178.1	-66.4	167.8	80.6	0	0	112.1	L296 N796 M797 K798 E803 H804	L296-Q800 HydrophobicContact CD1-CB 3.86Å; L296-Q800 HydrophobicContact CD1-CG 3.6Å; N796-Q800 WeakPolarHBondContact O-CG 3.31Å; N796-Q800 PolarHBondContact O-N 3.45Å; N796-Q800 PolarHBondContact O-NE2 3.22Å; M797-Q800 PolarHBondContact O-N 3.47Å; M797-Q800 VanDerWaalsContact O-N 3.14Å; K798-Q800 VanDerWaalsContact C-N 3.35Å; K798-Q800 PolarHBondContact O-N 2.91Å; Q800-E803 PolarHBondContact O-N 3.05Å; Q800-H804 PolarHBondContact O-CD2 2.9Å; Q800-H804 VanDerWaalsContact O-CG 3.26Å; Q800-H804 PolarHBondContact O-N 3.39Å; Q800-H804 PolarHBondContact O-NE2 2.8Å
801	F	86.9	Confident	83.6	Confident	9 Å²	9	28.7 Å²	28.7	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-38.3	176.9	-61	-36.8	0	0	0	112.7	V698 I702 I706 L719 A722 A723 M797 K798 G799 H804 L805	V698-F801 HydrophobicContact CG1-CD1 4.01Å; V698-F801 HydrophobicContact CG1-CE1 3.6Å; I702-F801 HydrophobicContact CG2-CZ 4.39Å; I706-F801 HydrophobicContact CD1-CB 4.09Å; I706-F801 HydrophobicContact CD1-CD1 4.13Å; I706-F801 HydrophobicContact CD1-CG 4.24Å; I706-F801 HydrophobicContact CG2-CD2 4.43Å; I706-F801 HydrophobicContact CG2-CG 4.47Å; L719-F801 HydrophobicContact CD1-CB 4.14Å; L719-F801 HydrophobicContact CD2-CB 3.59Å; L719-F801 HydrophobicContact CD2-CD2 4.2Å; L719-F801 HydrophobicContact CD2-CG 4.32Å; L719-F801 HydrophobicContact CG-CB 4.38Å; A722-F801 HydrophobicContact CB-CD2 4.2Å; A722-F801 HydrophobicContact CB-CE2 3.85Å; A723-F801 HydrophobicContact CB-CE2 4Å; M797-F801 HydrophobicContact CB-CE2 4.34Å; M797-F801 HydrophobicContact CE-CZ 4.28Å; M797-F801 WeakPolarHBondContact O-CD2 3.48Å; M797-F801 WeakPolarHBondContact O-CG 3.27Å; M797-F801 PolarHBondContact O-N 3.37Å; K798-F801 PolarHBondContact O-N 3.44Å; G799-F801 PolarHBondContact O-N 3.05Å; F801-H804 PolarHBondContact O-N 3.44Å; F801-L805 WeakPolarHBondContact O-CG 3.32Å; F801-L805 PolarHBondContact O-N 2.91Å
802	A	90.3	Very high	84	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-41	172.8	0	0	0	0	0	111.8	L719 K798 G799 H804 L805 L806 P816	L719-A802 HydrophobicContact CD1-CB 4.07Å; K798-A802 PolarHBondContact O-N 3.09Å; G799-A802 PolarHBondContact O-N 3.32Å; A802-H804 VanDerWaalsContact C-N 3.34Å; A802-H804 PolarHBondContact O-N 3.05Å; A802-L805 PolarHBondContact O-N 3.01Å; A802-L806 WeakPolarHBondContact O-CB 3.26Å; A802-L806 PolarHBondContact O-N 3.46Å; A802-P816 HydrophobicContact CB-CG 4.07Å
803	E	82.1	Confident	84.7	Confident	72 Å²	72	30.7 Å²	30.7	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-35.8	173.8	-72	176.2	165.5	0	0	112.8	L296 G799 Q800 L806 G807 R814	L296-E803 HydrophobicContact CD2-CB 4.35Å; G799-E803 WeakPolarHBondContact O-CG 3.2Å; G799-E803 PolarHBondContact O-N 3.29Å; Q800-E803 PolarHBondContact O-N 3.05Å; E803-L806 PolarHBondContact O-N 3.47Å; E803-G807 PolarHBondContact O-N 3.03Å; E803-R814 HydrophobicContact CG-CB 4.12Å
804	H	82.4	Confident	85.6	Confident	23 Å²	23	37.8 Å²	37.8	11%	0.106	22%	0.215	C	C	.	.	H	α-helix	trans	-70.4	-40	174.8	-64.2	-38.3	0	0	0	113	R295 L696 Q800 F801 A802 L806 G807 A808	R295-H804 PolarHBondContact NE-CE1 3.4Å; R295-H804 PolarHBondContact NE-NE2 3.09Å; R295-H804 PolarHBondContact NH2-CD2 2.79Å; R295-H804 VanDerWaalsContact NH2-CD2 3.29Å; R295-H804 PolarHBondContact NH2-NE2 2.89Å; L696-H804 HydrophobicContact CD2-CB 3.98Å; Q800-H804 PolarHBondContact O-CD2 2.9Å; Q800-H804 VanDerWaalsContact O-CG 3.26Å; Q800-H804 PolarHBondContact O-N 3.39Å; Q800-H804 PolarHBondContact O-NE2 2.8Å; F801-H804 PolarHBondContact O-N 3.44Å; A802-H804 VanDerWaalsContact C-N 3.34Å; A802-H804 PolarHBondContact O-N 3.05Å; H804-L806 VanDerWaalsContact C-N 3.33Å; H804-G807 PolarHBondContact O-N 3.4Å; H804-A808 WeakPolarHBondContact O-CB 3.3Å; H804-A808 PolarHBondContact O-N 2.78Å
805	L	88.4	Confident	86.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-35.9	173.4	-70.7	164	0	0	0	111.6	I706 L707 A710 L715 L719 F801 A802 A808 G809 F810 V811	I706-L805 HydrophobicContact CB-CD1 4.22Å; I706-L805 HydrophobicContact CD1-CG 4.45Å; I706-L805 HydrophobicContact CG1-CD2 4.34Å; L707-L805 HydrophobicContact CD1-CD2 4.31Å; A710-L805 HydrophobicContact CB-CD1 4.21Å; A710-L805 HydrophobicContact CB-CD2 4.19Å; L715-L805 HydrophobicContact CD1-CD1 3.61Å; L719-L805 HydrophobicContact CD2-CD1 4.19Å; F801-L805 WeakPolarHBondContact O-CG 3.32Å; F801-L805 PolarHBondContact O-N 2.91Å; A802-L805 PolarHBondContact O-N 3.01Å; L805-A808 CarbonylContact O-C 3.54Å; L805-A808 PolarHBondContact O-N 3.21Å; L805-G809 PolarHBondContact O-N 3.04Å; L805-F810 HydrophobicContact CB-CB 4.43Å; L805-F810 HydrophobicContact CD2-CB 4.09Å; L805-F810 PolarHBondContact O-N 3.32Å; L805-V811 HydrophobicContact CB-CG1 4.17Å; L805-V811 HydrophobicContact CB-CG2 3.85Å
806	L	87.6	Confident	86.4	Confident	71 Å²	71	38.7 Å²	38.7	37%	0.372	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-48	174.2	178.1	62.7	0	0	0	110.9	A802 E803 H804 A808 G809 V811 R814	A802-L806 WeakPolarHBondContact O-CB 3.26Å; A802-L806 PolarHBondContact O-N 3.46Å; E803-L806 PolarHBondContact O-N 3.47Å; H804-L806 VanDerWaalsContact C-N 3.33Å; L806-A808 VanDerWaalsContact C-N 3.26Å; L806-A808 PolarHBondContact O-N 2.7Å; L806-G809 PolarHBondContact O-N 2.75Å; L806-V811 HydrophobicContact CB-CG2 3.93Å; L806-V811 WeakPolarHBondContact CD1-O 3.39Å; L806-R814 HydrophobicContact CD2-CB 3.99Å
807	G	78	Confident	87.4	Confident	74 Å²	74	40 Å²	40	76%	0.763	23%	0.226	S	C	*	.	H	α-helix	trans	-64.5	-27.6	176.3	0	0	0	0	0	114.1	E803 H804 G809	E803-G807 PolarHBondContact O-N 3.03Å; H804-G807 PolarHBondContact O-N 3.4Å; G807-G809 VanDerWaalsContact C-N 3.33Å
808	A	82.5	Confident	88.1	Confident	16 Å²	16	39.8 Å²	39.8	13%	0.132	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.6	171.6	0	0	0	0	0	113.7	L696 H804 L805 L806 F810	L696-A808 HydrophobicContact CD2-CB 4.31Å; H804-A808 WeakPolarHBondContact O-CB 3.3Å; H804-A808 PolarHBondContact O-N 2.78Å; L805-A808 CarbonylContact O-C 3.54Å; L805-A808 PolarHBondContact O-N 3.21Å; L806-A808 VanDerWaalsContact C-N 3.26Å; L806-A808 PolarHBondContact O-N 2.7Å; A808-F810 HydrophobicContact CB-CD2 3.79Å; A808-F810 HydrophobicContact CB-CE2 4.22Å; A808-F810 WeakPolarHBondContact O-CD2 3.27Å
809	G	86.8	Confident	88.3	Confident	13 Å²	13	44.4 Å²	44.4	13%	0.134	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	27.2	179.2	0	0	0	0	0	115.4	L805 L806 G807 H965 P966	L805-G809 PolarHBondContact O-N 3.04Å; L806-G809 PolarHBondContact O-N 2.75Å; G807-G809 VanDerWaalsContact C-N 3.33Å; G809-H965 CarbonylContact O-C 3.55Å; G809-H965 WeakPolarHBondContact O-CA 3.48Å; G809-H965 PolarHBondContact O-N 2.83Å; G809-P966 WeakPolarHBondContact O-CD 3.4Å
810	F	91.4	Very high	88.7	Confident	11 Å²	11	48.7 Å²	48.7	5%	0.048	27%	0.27	C	S	.	.	S	Bend	trans	-98.8	-15	178.9	-76.8	-91.3	0	0	0	114.6	H692 L707 A710 L711 L805 A808 L957 K960	H692-F810 AromaticContact CD2-CZ 3.94Å; H692-F810 AromaticContact CE1-CE2 3.8Å; H692-F810 AromaticContact CE1-CZ 3.65Å; H692-F810 AromaticContact CG-CE2 4Å; H692-F810 AromaticContact CG-CZ 3.83Å; H692-F810 AromaticContact ND1-CE2 3.52Å; H692-F810 AromaticContact ND1-CZ 3.67Å; H692-F810 AromaticContact NE2-CZ 3.83Å; L707-F810 HydrophobicContact CD1-CD1 3.61Å; L707-F810 HydrophobicContact CD1-CD2 3.7Å; L707-F810 HydrophobicContact CD1-CE1 3.56Å; L707-F810 HydrophobicContact CD1-CE2 3.66Å; L707-F810 HydrophobicContact CD1-CG 3.69Å; L707-F810 HydrophobicContact CD1-CZ 3.6Å; L707-F810 HydrophobicContact CG-CD1 4.43Å; L707-F810 HydrophobicContact CG-CE1 4.25Å; A710-F810 HydrophobicContact CB-CB 4.14Å; L711-F810 HydrophobicContact CD1-CE1 4.46Å; L711-F810 HydrophobicContact CD2-CD1 3.96Å; L711-F810 HydrophobicContact CD2-CE1 4.02Å; L711-F810 HydrophobicContact CG-CD1 4.17Å; L711-F810 HydrophobicContact CG-CE1 4.32Å; L805-F810 HydrophobicContact CB-CB 4.43Å; L805-F810 HydrophobicContact CD2-CB 4.09Å; L805-F810 PolarHBondContact O-N 3.32Å; A808-F810 HydrophobicContact CB-CD2 3.79Å; A808-F810 HydrophobicContact CB-CE2 4.22Å; A808-F810 WeakPolarHBondContact O-CD2 3.27Å; F810-L957 HydrophobicContact CE1-CD2 4.39Å; F810-K960 HydrophobicContact CE1-CD 3.88Å; F810-K960 HydrophobicContact CZ-CB 4.39Å; F810-K960 HydrophobicContact CZ-CD 4.3Å
811	V	93.3	Very high	89.6	Confident	4 Å²	4	47 Å²	47	2%	0.024	26%	0.263	C	S	.	.			trans	-134.8	150.9	175.4	-62.1	0	0	0	0	110.8	A710 L715 L805 L806 S813 P966	A710-V811 HydrophobicContact CB-CG1 3.74Å; L715-V811 HydrophobicContact CD2-CG1 4.09Å; L805-V811 HydrophobicContact CB-CG1 4.17Å; L805-V811 HydrophobicContact CB-CG2 3.85Å; L806-V811 HydrophobicContact CB-CG2 3.93Å; L806-V811 WeakPolarHBondContact CD1-O 3.39Å; V811-S813 WeakPolarHBondContact CG2-O 3.48Å; V811-P966 VanDerWaalsContact C-CG 3.42Å
812	S	91.6	Very high	90	Very high	65 Å²	65	47.9 Å²	47.9	46%	0.455	27%	0.268	S	S	.	.	S	Bend	trans	-80.4	-16.4	177	52.5	0	0	0	0	113.4	E820	S812-E820 PolarHBondContact OG-OE2 3.2Å
813	S	91.3	Very high	90.3	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.182	29%	0.29	C	S	.	.			trans	-138.1	141.1	-164.6	-173.6	0	0	0	0	112	V811 N815 D818	V811-S813 WeakPolarHBondContact CG2-O 3.48Å; S813-N815 PolarHBondContact O-N 3.06Å; S813-N815 PolarHBondContact OG-N 2.67Å; S813-D818 WeakPolarHBondContact CB-OD1 3.31Å; S813-D818 PolarHBondContact OG-OD1 3.29Å
814	R	88.4	Confident	90.9	Very high	179 Å²	179	49.9 Å²	49.9	68%	0.675	28%	0.28	S	S	*	.	S	Bend	trans	-77.1	-3.3	172.3	64.4	175.9	171.8	-178.8	-4.8	113.7	E803 L806 P816	E803-R814 HydrophobicContact CG-CB 4.12Å; L806-R814 HydrophobicContact CD2-CB 3.99Å; R814-P816 WeakPolarHBondContact O-CD 3.18Å
815	N	92.4	Very high	91.6	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	28%	0.283	S	S	.	.			trans	-87.7	117.4	-179.4	176.8	17.1	0	0	0	110	S813 K817 D818	S813-N815 PolarHBondContact O-N 3.06Å; S813-N815 PolarHBondContact OG-N 2.67Å; N815-K817 PolarHBondContact O-N 2.83Å; N815-K817 VanDerWaalsContact O-N 3.11Å; N815-K817 PolarHBondContact OD1-N 3.34Å; N815-D818 HydrophobicContact CB-CB 4.31Å; N815-D818 WeakPolarHBondContact O-CB 3.47Å; N815-D818 PolarHBondContact O-N 2.89Å
816	P	93.8	Very high	91.8	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.123	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.2	174.6	-28.4	37.4	0	0	0	114.2	D716 L719 K798 A802 R814 N822	D716-P816 WeakPolarHBondContact CB-O 3.37Å; D716-P816 WeakPolarHBondContact OD1-CB 3.42Å; L719-P816 HydrophobicContact CD1-CB 4.15Å; L719-P816 HydrophobicContact CD1-CG 4.4Å; K798-P816 HydrophobicContact CB-CB 4.33Å; K798-P816 HydrophobicContact CB-CG 3.98Å; A802-P816 HydrophobicContact CB-CG 4.07Å; R814-P816 WeakPolarHBondContact O-CD 3.18Å; P816-N822 PolarHBondContact O-ND2 3.27Å
817	K	94.9	Very high	92.2	Very high	88 Å²	88	55.4 Å²	55.4	38%	0.383	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	21.6	179.8	-64.1	-176.6	-179.2	-68	0	113.4	D716 E767 N815	D716-K817 HydrophobicContact CB-CG 4.38Å; D716-K817 WeakPolarHBondContact OD1-CG 3.36Å; D716-K817 IonicContact OD1-NZ 2.74Å; D716-K817 IonicContact OD2-NZ 3.97Å; D716-K817 PolarHBondContact OD2-NZ 3.38Å; E767-K817 WeakPolarHBondContact OE1-CE 3.44Å; E767-K817 IonicContact OE1-NZ 2.82Å; E767-K817 WeakPolarHBondContact OE2-CE 3.31Å; E767-K817 IonicContact OE2-NZ 3.76Å; E767-K817 PolarHBondContact OE2-NZ 3.17Å; N815-K817 PolarHBondContact O-N 2.83Å; N815-K817 VanDerWaalsContact O-N 3.11Å; N815-K817 PolarHBondContact OD1-N 3.34Å
818	D	95.8	Very high	93	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.123	29%	0.293	C	S	.	.			trans	-62.9	126.4	175.7	-174	83.7	0	0	0	111.4	S813 N815 E820 S821 N822	S813-D818 WeakPolarHBondContact CB-OD1 3.31Å; S813-D818 PolarHBondContact OG-OD1 3.29Å; N815-D818 HydrophobicContact CB-CB 4.31Å; N815-D818 WeakPolarHBondContact O-CB 3.47Å; N815-D818 PolarHBondContact O-N 2.89Å; D818-E820 VanDerWaalsContact C-N 3.35Å; D818-E820 PolarHBondContact O-N 2.91Å; D818-E820 WeakPolarHBondContact OD2-CB 3.39Å; D818-E820 PolarHBondContact OD2-N 2.91Å; D818-S821 PolarHBondContact O-N 3.47Å; D818-N822 WeakPolarHBondContact O-CB 3.41Å; D818-N822 PolarHBondContact O-N 3.33Å; D818-N822 PolarHBondContact O-ND2 3.11Å
819	P	95.1	Very high	93.6	Very high	101 Å²	101	57.6 Å²	57.6	66%	0.656	30%	0.299	S	S	*	.	S	Bend	trans	-59.7	-38.2	-173	-26.9	35.8	0	0	0	114.7	S821 N822	P819-S821 VanDerWaalsContact C-N 3.26Å; P819-S821 PolarHBondContact O-N 3.43Å; P819-N822 PolarHBondContact O-N 3.27Å; P819-N822 VanDerWaalsContact O-N 3.13Å
820	E	92.9	Very high	94	Very high	111 Å²	111	57 Å²	57	52%	0.519	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-64	-37.6	-178.6	-55.3	-174.3	142.3	0	0	110.6	C713 S812 D818 N822	C713-E820 PolarHBondContact SG-O 3.44Å; S812-E820 PolarHBondContact OG-OE2 3.2Å; D818-E820 VanDerWaalsContact C-N 3.35Å; D818-E820 PolarHBondContact O-N 2.91Å; D818-E820 WeakPolarHBondContact OD2-CB 3.39Å; D818-E820 PolarHBondContact OD2-N 2.91Å; E820-N822 VanDerWaalsContact C-N 3.27Å; E820-N822 PolarHBondContact O-N 3.38Å
821	S	95	Very high	94.3	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.049	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-80.3	1.3	178.7	-54.9	0	0	0	0	114.4	C713 L715 D818 P819	C713-S821 CarbonylContact C-O 3.6Å; C713-S821 WeakPolarHBondContact CA-O 3.33Å; L715-S821 VanDerWaalsContact CB-O 3.22Å; L715-S821 WeakPolarHBondContact CB-O 3.44Å; L715-S821 PolarHBondContact N-O 2.93Å; D818-S821 PolarHBondContact O-N 3.47Å; P819-S821 VanDerWaalsContact C-N 3.26Å; P819-S821 PolarHBondContact O-N 3.43Å
822	N	97.1	Very high	94.5	Very high	27 Å²	27	57.2 Å²	57.2	14%	0.144	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-132.3	13.5	-169.4	-78.8	-80.6	0	0	0	115.1	C713 D716 P816 D818 P819 E820 N824 S825	C713-N822 CarbonylContact O-C 3.4Å; C713-N822 VanDerWaalsContact O-CA 3.3Å; C713-N822 WeakPolarHBondContact O-CA 3.3Å; D716-N822 WeakPolarHBondContact CB-OD1 3.48Å; D716-N822 PolarHBondContact N-OD1 2.99Å; P816-N822 PolarHBondContact O-ND2 3.27Å; D818-N822 WeakPolarHBondContact O-CB 3.41Å; D818-N822 PolarHBondContact O-N 3.33Å; D818-N822 PolarHBondContact O-ND2 3.11Å; P819-N822 PolarHBondContact O-N 3.27Å; P819-N822 VanDerWaalsContact O-N 3.13Å; E820-N822 VanDerWaalsContact C-N 3.27Å; E820-N822 PolarHBondContact O-N 3.38Å; N822-N824 PolarHBondContact O-N 3.05Å; N822-S825 WeakPolarHBondContact CA-OG 3.48Å; N822-S825 WeakPolarHBondContact O-CB 3.32Å; N822-S825 PolarHBondContact O-N 2.74Å; N822-S825 PolarHBondContact O-OG 2.97Å; N822-S825 PolarHBondContact OD1-OG 3.08Å
823	I	95.8	Very high	94.8	Very high	89 Å²	89	54.1 Å²	54.1	46%	0.456	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.2	-179.1	59.1	158.8	0	0	0	115.2	C713 W969	C713-I823 HydrophobicContact CB-CD1 4.22Å; C713-I823 HydrophobicContact CB-CG1 3.41Å; C713-I823 VanDerWaalsContact CB-CG1 3.41Å; C713-I823 PolarHBondContact O-N 3.43Å; I823-W969 HydrophobicContact CD1-CB 3.96Å; I823-W969 HydrophobicContact CD1-CD2 3.97Å; I823-W969 HydrophobicContact CD1-CE3 4.04Å; I823-W969 HydrophobicContact CD1-CG 3.94Å
824	N	95.6	Very high	95.1	Very high	26 Å²	26	52.9 Å²	52.9	14%	0.139	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	11.5	178.9	-69.6	-58.1	0	0	0	113.2	F712 C713 C714 N822 D826 N827 I830	F712-N824 WeakPolarHBondContact O-CB 3.23Å; F712-N824 PolarHBondContact O-ND2 3.25Å; C713-N824 PolarHBondContact O-N 2.83Å; C714-N824 HydrophobicContact CB-CB 4.39Å; N822-N824 PolarHBondContact O-N 3.05Å; N824-D826 PolarHBondContact O-N 2.92Å; N824-N827 WeakPolarHBondContact O-CB 3.33Å; N824-N827 PolarHBondContact O-N 2.89Å; N824-I830 HydrophobicContact CB-CD1 3.79Å; N824-I830 HydrophobicContact CB-CG2 4.47Å
825	S	96.5	Very high	95.5	Very high	23 Å²	23	44.4 Å²	44.4	16%	0.161	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.3	-173.7	-73.9	0	0	0	0	115.3	C714 P717 N822 I831	C714-S825 VanDerWaalsContact C-OG 3.31Å; C714-S825 VanDerWaalsContact CA-OG 3.26Å; C714-S825 WeakPolarHBondContact CA-OG 3.37Å; P717-S825 WeakPolarHBondContact CD-OG 3.28Å; N822-S825 WeakPolarHBondContact CA-OG 3.48Å; N822-S825 WeakPolarHBondContact O-CB 3.32Å; N822-S825 PolarHBondContact O-N 2.74Å; N822-S825 PolarHBondContact O-OG 2.97Å; N822-S825 PolarHBondContact OD1-OG 3.08Å; S825-I831 WeakPolarHBondContact O-CD1 3.47Å
826	D	93.3	Very high	95.7	Very high	144 Å²	144	40.8 Å²	40.8	77%	0.77	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-10.8	170.7	68.2	-27.2	0	0	0	113	N824 E828	N824-D826 PolarHBondContact O-N 2.92Å; D826-E828 PolarHBondContact O-N 3.46Å
827	N	95.6	Very high	95.8	Very high	43 Å²	43	39.9 Å²	39.9	23%	0.23	21%	0.207	C	C	.	.			trans	-87.4	92.3	-171.3	-166.3	-35.4	0	0	0	112.1	N824 K829 I830 I831	N824-N827 WeakPolarHBondContact O-CB 3.33Å; N824-N827 PolarHBondContact O-N 2.89Å; N827-K829 PolarHBondContact O-N 3.31Å; N827-K829 PolarHBondContact OD1-N 3.04Å; N827-I830 HydrophobicContact CB-CB 4.28Å; N827-I830 HydrophobicContact CB-CD1 3.97Å; N827-I830 HydrophobicContact CB-CG1 4.19Å; N827-I830 WeakPolarHBondContact ND2-CD1 3.49Å; N827-I830 PolarHBondContact O-N 2.95Å; N827-I831 PolarHBondContact O-N 3.49Å; N827-I831 VanDerWaalsContact O-N 3.13Å
828	E	95	Very high	95.7	Very high	73 Å²	73	35.8 Å²	35.8	34%	0.341	19%	0.189	S	C	.	.	H	α-helix	trans	-46.6	-38.3	-179	-163.6	-166.8	118.2	0	0	113.8	L757 D826 K832	L757-E828 HydrophobicContact CD1-CG 3.6Å; D826-E828 PolarHBondContact O-N 3.46Å; E828-K832 HydrophobicContact CG-CD 4.19Å; E828-K832 VanDerWaalsContact O-CB 3.3Å; E828-K832 WeakPolarHBondContact O-CB 3.27Å; E828-K832 WeakPolarHBondContact O-CG 3.48Å; E828-K832 PolarHBondContact O-N 2.97Å; E828-K832 WeakPolarHBondContact OE1-CE 3.44Å; E828-K832 IonicContact OE1-NZ 3.61Å; E828-K832 PolarHBondContact OE1-NZ 3.04Å
829	K	93.6	Very high	95.6	Very high	62 Å²	62	34.8 Å²	34.8	27%	0.27	18%	0.184	S	C	.	.	H	α-helix	trans	-68.3	-40.9	-178.6	-66	-177.5	-179.3	170.9	0	112.4	N827 A833 K988	N827-K829 PolarHBondContact O-N 3.31Å; N827-K829 PolarHBondContact OD1-N 3.04Å; K829-A833 WeakPolarHBondContact O-CB 3.42Å; K829-A833 PolarHBondContact O-N 2.96Å; K829-K988 HydrophobicContact CD-CB 4.49Å; K829-K988 HydrophobicContact CD-CG 4.47Å; K829-K988 PolarHBondContact NZ-O 3.16Å
830	I	96.3	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-45.6	178.8	-62.8	175.2	0	0	0	109	F712 C714 N824 N827 K832 A833 V834 I984 I987 K988	F712-I830 HydrophobicContact CB-CG2 3.86Å; F712-I830 HydrophobicContact CG-CG2 4.5Å; C714-I830 HydrophobicContact CB-CG2 4.42Å; N824-I830 HydrophobicContact CB-CD1 3.79Å; N824-I830 HydrophobicContact CB-CG2 4.47Å; N827-I830 HydrophobicContact CB-CB 4.28Å; N827-I830 HydrophobicContact CB-CD1 3.97Å; N827-I830 HydrophobicContact CB-CG1 4.19Å; N827-I830 WeakPolarHBondContact ND2-CD1 3.49Å; N827-I830 PolarHBondContact O-N 2.95Å; I830-K832 PolarHBondContact O-N 2.84Å; I830-A833 WeakPolarHBondContact O-CB 3.43Å; I830-A833 PolarHBondContact O-N 2.78Å; I830-A833 VanDerWaalsContact O-N 3.09Å; I830-V834 WeakPolarHBondContact O-CG2 3.32Å; I830-V834 PolarHBondContact O-N 2.94Å; I830-I984 HydrophobicContact CD1-CD1 4.29Å; I830-I984 HydrophobicContact CD1-CG1 4.37Å; I830-I984 HydrophobicContact CD1-CG2 3.82Å; I830-I984 HydrophobicContact CG1-CG2 4.43Å; I830-I987 HydrophobicContact CG1-CD1 4.4Å; I830-K988 HydrophobicContact CD1-CD 4.38Å
831	I	97.6	Very high	95.3	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-46.5	176.7	-53.1	163.3	0	0	0	110.3	C714 P717 V718 I721 L757 S825 N827 A833 V834 I835	C714-I831 HydrophobicContact CB-CG1 4.26Å; P717-I831 HydrophobicContact CB-CD1 4.13Å; P717-I831 HydrophobicContact CG-CD1 3.87Å; P717-I831 HydrophobicContact CG-CG1 4.14Å; V718-I831 HydrophobicContact CG2-CG2 4.37Å; I721-I831 HydrophobicContact CD1-CG2 3.98Å; L757-I831 HydrophobicContact CD2-CB 4.33Å; L757-I831 HydrophobicContact CD2-CD1 4.3Å; L757-I831 HydrophobicContact CD2-CG2 3.76Å; S825-I831 WeakPolarHBondContact O-CD1 3.47Å; N827-I831 PolarHBondContact O-N 3.49Å; N827-I831 VanDerWaalsContact O-N 3.13Å; I831-A833 VanDerWaalsContact C-N 3.28Å; I831-A833 PolarHBondContact O-N 3.02Å; I831-V834 PolarHBondContact O-N 3.16Å; I831-V834 VanDerWaalsContact O-N 3.1Å; I831-I835 HydrophobicContact CG2-CD1 4.17Å; I831-I835 HydrophobicContact CG2-CG1 4.41Å; I831-I835 VanDerWaalsContact O-CG1 3.28Å; I831-I835 WeakPolarHBondContact O-CG1 3.46Å; I831-I835 PolarHBondContact O-N 2.9Å
832	K	97.5	Very high	95.2	Very high	14 Å²	14	28.5 Å²	28.5	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-57.3	-38.6	174.4	-82.1	178.4	162.7	174.5	0	113.2	T752 L757 E828 I830 C836 T903 E904 V905	T752-K832 VanDerWaalsContact O-CE 3.27Å; T752-K832 WeakPolarHBondContact O-CE 3.32Å; T752-K832 PolarHBondContact O-NZ 3.23Å; L757-K832 HydrophobicContact CD1-CG 4.26Å; E828-K832 HydrophobicContact CG-CD 4.19Å; E828-K832 VanDerWaalsContact O-CB 3.3Å; E828-K832 WeakPolarHBondContact O-CB 3.27Å; E828-K832 WeakPolarHBondContact O-CG 3.48Å; E828-K832 PolarHBondContact O-N 2.97Å; E828-K832 WeakPolarHBondContact OE1-CE 3.44Å; E828-K832 IonicContact OE1-NZ 3.61Å; E828-K832 PolarHBondContact OE1-NZ 3.04Å; I830-K832 PolarHBondContact O-N 2.84Å; K832-C836 WeakPolarHBondContact O-CB 3.47Å; K832-C836 PolarHBondContact O-N 3.05Å; K832-T903 HydrophobicContact CD-CG2 4.37Å; K832-T903 HydrophobicContact CG-CG2 3.83Å; K832-E904 VanDerWaalsContact CD-O 3.32Å; K832-E904 WeakPolarHBondContact CD-O 3.26Å; K832-E904 WeakPolarHBondContact CE-O 3.4Å; K832-V905 HydrophobicContact CB-CG1 4.48Å
833	A	96.8	Very high	95.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-36.9	175.6	0	0	0	0	0	112.4	K829 I830 I831 C836 A837 C909 F913 I987	K829-A833 WeakPolarHBondContact O-CB 3.42Å; K829-A833 PolarHBondContact O-N 2.96Å; I830-A833 WeakPolarHBondContact O-CB 3.43Å; I830-A833 PolarHBondContact O-N 2.78Å; I830-A833 VanDerWaalsContact O-N 3.09Å; I831-A833 VanDerWaalsContact C-N 3.28Å; I831-A833 PolarHBondContact O-N 3.02Å; A833-C836 CarbonylContact O-C 3.55Å; A833-C836 VanDerWaalsContact O-CB 3.27Å; A833-C836 WeakPolarHBondContact O-CB 3.36Å; A833-C836 PolarHBondContact O-N 3.17Å; A833-A837 PolarHBondContact O-N 2.81Å; A833-C909 HydrophobicContact CB-CB 4.42Å; A833-F913 HydrophobicContact CB-CE2 4.05Å; A833-I987 HydrophobicContact CB-CB 4.24Å; A833-I987 HydrophobicContact CB-CD1 3.53Å; A833-I987 HydrophobicContact CB-CG1 4.37Å; A833-I987 HydrophobicContact CB-CG2 4.41Å
834	V	97.9	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.1	-40.4	174.4	176.2	0	0	0	0	112.3	M705 F708 F712 V718 I830 I831 C836 A837 G838	M705-V834 HydrophobicContact CG-CG1 3.93Å; M705-V834 WeakPolarHBondContact O-CG1 3.46Å; F708-V834 HydrophobicContact CB-CG1 4.11Å; F708-V834 HydrophobicContact CB-CG2 4.11Å; F712-V834 HydrophobicContact CD2-CG2 3.71Å; F712-V834 HydrophobicContact CE2-CG2 4.36Å; V718-V834 HydrophobicContact CB-CG1 4.39Å; V718-V834 HydrophobicContact CG1-CG1 3.77Å; V718-V834 HydrophobicContact CG2-CB 4.06Å; V718-V834 HydrophobicContact CG2-CG1 3.65Å; I830-V834 WeakPolarHBondContact O-CG2 3.32Å; I830-V834 PolarHBondContact O-N 2.94Å; I831-V834 PolarHBondContact O-N 3.16Å; I831-V834 VanDerWaalsContact O-N 3.1Å; V834-C836 PolarHBondContact O-N 2.89Å; V834-A837 WeakPolarHBondContact O-CB 3.28Å; V834-A837 PolarHBondContact O-N 3.48Å; V834-A837 VanDerWaalsContact O-N 3.12Å; V834-G838 PolarHBondContact O-N 3.41Å; V834-G838 VanDerWaalsContact O-N 3.1Å
835	I	97.6	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-40.3	170.6	-54.8	161.6	0	0	0	109.3	M705 I721 H756 I831 G838 L839 I887 T903	M705-I835 HydrophobicContact CE-CG2 4.36Å; I721-I835 HydrophobicContact CD1-CD1 3.7Å; I721-I835 HydrophobicContact CD1-CG1 3.84Å; H756-I835 HydrophobicContact CB-CD1 3.97Å; I831-I835 HydrophobicContact CG2-CD1 4.17Å; I831-I835 HydrophobicContact CG2-CG1 4.41Å; I831-I835 VanDerWaalsContact O-CG1 3.28Å; I831-I835 WeakPolarHBondContact O-CG1 3.46Å; I831-I835 PolarHBondContact O-N 2.9Å; I835-G838 PolarHBondContact O-N 3.28Å; I835-L839 HydrophobicContact CG2-CD1 3.61Å; I835-L839 HydrophobicContact CG2-CG 4.07Å; I835-L839 WeakPolarHBondContact O-CB 3.45Å; I835-L839 WeakPolarHBondContact O-CG 3.49Å; I835-L839 PolarHBondContact O-N 3.38Å; I835-I887 HydrophobicContact CB-CD1 3.93Å; I835-I887 HydrophobicContact CG2-CD1 3.56Å; I835-I887 HydrophobicContact CG2-CG1 4.48Å; I835-T903 HydrophobicContact CD1-CG2 4.33Å
836	C	96.7	Very high	94.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-40.9	174.6	-168.7	0	0	0	0	112.5	K832 A833 V834 G838 L839 Y840 I887 V905 C909	K832-C836 WeakPolarHBondContact O-CB 3.47Å; K832-C836 PolarHBondContact O-N 3.05Å; A833-C836 CarbonylContact O-C 3.55Å; A833-C836 VanDerWaalsContact O-CB 3.27Å; A833-C836 WeakPolarHBondContact O-CB 3.36Å; A833-C836 PolarHBondContact O-N 3.17Å; V834-C836 PolarHBondContact O-N 2.89Å; C836-G838 VanDerWaalsContact C-N 3.28Å; C836-G838 PolarHBondContact O-N 2.92Å; C836-L839 PolarHBondContact O-N 3.49Å; C836-Y840 WeakPolarHBondContact O-CB 3.13Å; C836-Y840 PolarHBondContact O-N 2.82Å; C836-I887 VanDerWaalsContact CA-CD1 3.45Å; C836-I887 HydrophobicContact CB-CD1 3.97Å; C836-I887 VanDerWaalsContact N-CD1 3.33Å; C836-V905 HydrophobicContact CB-CG1 4.36Å; C836-C909 HydrophobicContact CB-CB 3.98Å
837	A	94.6	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-38.6	176.4	0	0	0	0	0	112.4	K704 F708 A833 V834 F913	K704-A837 WeakPolarHBondContact CD-O 3.44Å; K704-A837 WeakPolarHBondContact CE-O 3.11Å; F708-A837 HydrophobicContact CB-CB 4.49Å; F708-A837 HydrophobicContact CD2-CB 3.7Å; F708-A837 HydrophobicContact CE2-CB 4.3Å; F708-A837 HydrophobicContact CG-CB 4.28Å; A833-A837 PolarHBondContact O-N 2.81Å; V834-A837 WeakPolarHBondContact O-CB 3.28Å; V834-A837 PolarHBondContact O-N 3.48Å; V834-A837 VanDerWaalsContact O-N 3.12Å; A837-F913 HydrophobicContact CB-CB 4.29Å; A837-F913 HydrophobicContact CB-CD1 3.4Å; A837-F913 VanDerWaalsContact CB-CD1 3.4Å; A837-F913 HydrophobicContact CB-CD2 4.09Å; A837-F913 HydrophobicContact CB-CE1 3.67Å; A837-F913 HydrophobicContact CB-CE2 4.33Å; A837-F913 HydrophobicContact CB-CG 3.65Å; A837-F913 HydrophobicContact CB-CZ 4.14Å
838	G	92.8	Very high	93.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-83	-29.6	178.6	0	0	0	0	0	115.7	H701 V834 I835 C836	H701-G838 WeakPolarHBondContact CB-O 3.38Å; H701-G838 VanDerWaalsContact O-CA 3.32Å; H701-G838 WeakPolarHBondContact O-CA 3.45Å; V834-G838 PolarHBondContact O-N 3.41Å; V834-G838 VanDerWaalsContact O-N 3.1Å; I835-G838 PolarHBondContact O-N 3.28Å; C836-G838 VanDerWaalsContact C-N 3.28Å; C836-G838 PolarHBondContact O-N 2.92Å
839	L	93.8	Very high	91.6	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-101.2	-12.9	-175.1	-62.1	-173.5	0	0	0	114.9	M705 L725 I835 C836 K842 I887 H889	M705-L839 HydrophobicContact CE-CD2 3.99Å; M705-L839 HydrophobicContact CE-CG 3.92Å; L725-L839 HydrophobicContact CD1-CD2 3.99Å; I835-L839 HydrophobicContact CG2-CD1 3.61Å; I835-L839 HydrophobicContact CG2-CG 4.07Å; I835-L839 WeakPolarHBondContact O-CB 3.45Å; I835-L839 WeakPolarHBondContact O-CG 3.49Å; I835-L839 PolarHBondContact O-N 3.38Å; C836-L839 PolarHBondContact O-N 3.49Å; L839-K842 WeakPolarHBondContact O-CA 3.33Å; L839-K842 WeakPolarHBondContact O-CB 3.46Å; L839-K842 PolarHBondContact O-N 3.16Å; L839-I887 HydrophobicContact CB-CB 4.29Å; L839-I887 HydrophobicContact CB-CD1 4.42Å; L839-I887 HydrophobicContact CD1-CD1 4.38Å; L839-I887 HydrophobicContact CD1-CG1 4.44Å; L839-H889 HydrophobicContact CD1-CB 4.07Å; L839-H889 HydrophobicContact CD2-CB 3.79Å
840	Y	92.6	Very high	89.7	Confident	2 Å²	2	27 Å²	27	1%	0.008	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	135.4	170	-167.7	-88.5	0	0	0	110.4	L677 C836 V843 L910 G914 G915 D931 I934	L677-Y840 VanDerWaalsContact CD2-O 3.31Å; L677-Y840 WeakPolarHBondContact CD2-O 3.21Å; C836-Y840 WeakPolarHBondContact O-CB 3.13Å; C836-Y840 PolarHBondContact O-N 2.82Å; Y840-V843 HydrophobicContact CD2-CG2 3.75Å; Y840-V843 HydrophobicContact CE2-CG2 3.97Å; Y840-L910 HydrophobicContact CD2-CD2 4.06Å; Y840-L910 HydrophobicContact CE2-CD2 4.32Å; Y840-G914 VanDerWaalsContact CE1-CA 3.42Å; Y840-G914 VanDerWaalsContact CE2-CA 3.43Å; Y840-G915 VanDerWaalsContact CE1-N 3.3Å; Y840-G915 VanDerWaalsContact CZ-N 3.31Å; Y840-G915 PolarHBondContact OH-N 2.77Å; Y840-D931 PolarHBondContact OH-OD2 3.31Å; Y840-I934 HydrophobicContact CE2-CD1 3.93Å
841	P	90.4	Very high	87.6	Confident	32 Å²	32	30.8 Å²	30.8	21%	0.208	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.3	16.7	13.2	37.9	-37.8	0	0	0	115.9	E676 V843	E676-P841 HydrophobicContact CB-CG 4.05Å; P841-V843 PolarHBondContact O-N 2.85Å
842	K	91.4	Very high	85.6	Confident	53 Å²	53	37.5 Å²	37.5	23%	0.23	20%	0.199	C	C	.	.			trans	-72.7	71.1	-178.9	-59.3	175.6	-179.5	176.3	0	112.1	L839 I887 Y888 H889	L839-K842 WeakPolarHBondContact O-CA 3.33Å; L839-K842 WeakPolarHBondContact O-CB 3.46Å; L839-K842 PolarHBondContact O-N 3.16Å; K842-I887 WeakPolarHBondContact O-CA 3.39Å; K842-Y888 VanDerWaalsContact C-CE1 3.41Å; K842-Y888 HydrophobicContact CB-CD1 4.19Å; K842-Y888 HydrophobicContact CB-CD2 3.95Å; K842-Y888 HydrophobicContact CB-CE1 3.99Å; K842-Y888 HydrophobicContact CB-CE2 3.71Å; K842-Y888 HydrophobicContact CB-CG 4.18Å; K842-Y888 WeakPolarHBondContact CB-O 3.32Å; K842-Y888 HydrophobicContact CD-CD2 4.42Å; K842-Y888 HydrophobicContact CD-CE2 4.25Å; K842-Y888 WeakPolarHBondContact CD-O 3.5Å; K842-Y888 HydrophobicContact CG-CE2 4.08Å; K842-Y888 WeakPolarHBondContact O-CD1 3.3Å; K842-Y888 WeakPolarHBondContact O-CE1 3.32Å; K842-Y888 PolarHBondContact O-N 3.29Å; K842-H889 WeakPolarHBondContact CD-O 3.18Å; K842-H889 PolarHBondContact NZ-O 3.37Å
843	V	95.1	Very high	83.5	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.8	-173.2	179.5	0	0	0	0	110.6	Y840 P841 W885 L886 I887 L910 W933 I934	Y840-V843 HydrophobicContact CD2-CG2 3.75Å; Y840-V843 HydrophobicContact CE2-CG2 3.97Å; P841-V843 PolarHBondContact O-N 2.85Å; V843-W885 HydrophobicContact CG1-CE3 3.8Å; V843-W885 HydrophobicContact CG1-CZ3 4.34Å; V843-L886 CarbonylContact C-O 3.55Å; V843-L886 WeakPolarHBondContact CA-O 3.46Å; V843-I887 HydrophobicContact CG2-CG2 4.12Å; V843-L910 HydrophobicContact CB-CD2 4.49Å; V843-L910 HydrophobicContact CG1-CD1 4.12Å; V843-L910 HydrophobicContact CG1-CD2 4.07Å; V843-L910 HydrophobicContact CG2-CD2 3.54Å; V843-W933 HydrophobicContact CB-CH2 4.35Å; V843-W933 HydrophobicContact CB-CZ2 3.93Å; V843-W933 HydrophobicContact CG1-CH2 4.21Å; V843-W933 HydrophobicContact CG1-CZ2 4.08Å; V843-W933 WeakPolarHBondContact O-CH2 3.19Å; V843-I934 HydrophobicContact CB-CD1 4.46Å; V843-I934 HydrophobicContact CG1-CD1 4.12Å; V843-I934 HydrophobicContact CG2-CD1 4.37Å
844	A	95.3	Very high	81.4	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.2	172.8	0	0	0	0	0	112.3	V859 Y860 T861 L886 Y888 L899	A844-V859 HydrophobicContact CB-CB 3.93Å; A844-V859 HydrophobicContact CB-CG2 3.61Å; A844-Y860 CarbonylContact C-O 3.48Å; A844-Y860 VanDerWaalsContact CA-O 3.26Å; A844-Y860 WeakPolarHBondContact CA-O 3.36Å; A844-T861 HydrophobicContact CB-CG2 3.94Å; A844-L886 PolarHBondContact N-O 2.98Å; A844-L886 PolarHBondContact O-N 3.18Å; A844-Y888 HydrophobicContact CB-CD1 4.49Å; A844-L899 HydrophobicContact CB-CD1 3.92Å
845	K	94.3	Very high	79.6	Confident	39 Å²	39	66.1 Å²	66.1	17%	0.17	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.4	173.9	-167.4	179.6	178.9	-178.5	0	110.5	V859 Y860 N884 W885	K845-V859 CarbonylContact O-C 3.5Å; K845-V859 VanDerWaalsContact O-CA 3.28Å; K845-V859 WeakPolarHBondContact O-CA 3.25Å; K845-V859 WeakPolarHBondContact O-CB 3.42Å; K845-Y860 PolarHBondContact N-O 2.99Å; K845-Y860 PolarHBondContact O-N 3.31Å; K845-N884 CarbonylContact C-O 3.58Å; K845-N884 WeakPolarHBondContact CA-O 3.43Å; K845-W885 HydrophobicContact CB-CE3 3.9Å; K845-W885 HydrophobicContact CB-CH2 4.03Å; K845-W885 HydrophobicContact CB-CZ3 3.53Å; K845-W885 HydrophobicContact CD-CH2 3.86Å; K845-W885 HydrophobicContact CD-CZ2 4.3Å; K845-W885 HydrophobicContact CD-CZ3 4.28Å; K845-W885 HydrophobicContact CG-CE3 4.22Å; K845-W885 HydrophobicContact CG-CH2 3.92Å; K845-W885 HydrophobicContact CG-CZ2 4.32Å; K845-W885 HydrophobicContact CG-CZ3 3.9Å
846	I	90.9	Very high	78.1	Confident	10 Å²	10	71.5 Å²	71.5	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.5	178.3	-64.7	159.3	0	0	0	110	L848 V859 F881 Y883 N884 L886	I846-L848 PolarHBondContact O-N 3.42Å; I846-V859 HydrophobicContact CG1-CG1 4.28Å; I846-F881 HydrophobicContact CD1-CB 3.94Å; I846-F881 HydrophobicContact CD1-CD1 3.72Å; I846-F881 HydrophobicContact CD1-CD2 3.99Å; I846-F881 HydrophobicContact CD1-CE1 4.18Å; I846-F881 HydrophobicContact CD1-CE2 4.41Å; I846-F881 HydrophobicContact CD1-CG 3.62Å; I846-F881 HydrophobicContact CD1-CZ 4.49Å; I846-F881 HydrophobicContact CG2-CD2 4.08Å; I846-F881 HydrophobicContact CG2-CE2 4.38Å; I846-Y883 WeakPolarHBondContact CD1-O 3.35Å; I846-N884 PolarHBondContact N-O 2.88Å; I846-L886 HydrophobicContact CD1-CD2 3.86Å; I846-L886 HydrophobicContact CD1-CG 3.94Å; I846-L886 HydrophobicContact CG1-CD1 4.2Å; I846-L886 HydrophobicContact CG1-CD2 4.29Å; I846-L886 HydrophobicContact CG1-CG 3.82Å
847	R	85.2	Confident	77.3	Confident	120 Å²	120	71.8 Å²	71.8	45%	0.453	35%	0.345	S	S	.	.			trans	-85.4	110.5	169.8	-174.7	-179.5	178.1	161.5	5.8	109.7	N849 K858 Y860	R847-N849 PolarHBondContact O-N 3.06Å; R847-N849 VanDerWaalsContact O-N 3.08Å; R847-K858 WeakPolarHBondContact CB-O 3.3Å; R847-K858 PolarHBondContact N-O 2.93Å; R847-Y860 HydrophobicContact CB-CD2 4.28Å; R847-Y860 HydrophobicContact CB-CE2 3.93Å; R847-Y860 HydrophobicContact CG-CE2 3.97Å
848	L	71.3	Confident	77	Confident	72 Å²	72	75.8 Å²	75.8	38%	0.377	36%	0.362	S	S	.	.			trans	-58.2	112.6	179.1	-66.5	174.9	0	0	0	111.6	I846 L850	I846-L848 PolarHBondContact O-N 3.42Å; L848-L850 PolarHBondContact O-N 3.25Å
849	N	62.5	Low	77	Confident	62 Å²	62	75.7 Å²	75.7	33%	0.332	36%	0.361	S	S	.	.			trans	-86.5	74.5	-174.5	-115.8	-21.6	0	0	0	110.6	R847 G851	R847-N849 PolarHBondContact O-N 3.06Å; R847-N849 VanDerWaalsContact O-N 3.08Å; N849-G851 PolarHBondContact O-N 2.9Å
850	L	54.2	Low	76.9	Confident	149 Å²	149	80.1 Å²	80.1	78%	0.78	38%	0.379	S	S	*	.			trans	-57.5	93.7	177.2	-77.5	149	0	0	0	112.4	L848 K852	L848-L850 PolarHBondContact O-N 3.25Å; L850-K852 PolarHBondContact O-N 2.69Å
851	G	50.8	Low	76.8	Confident	79 Å²	79	80.4 Å²	80.4	81%	0.814	38%	0.38	S	S	*	.	S	Bend	trans	79.2	14	157.8	0	0	0	0	0	118.5	N849	N849-G851 PolarHBondContact O-N 2.9Å
852	K	55.1	Low	76.6	Confident	149 Å²	149	84.2 Å²	84.2	65%	0.648	39%	0.394	S	S	*	.			trans	-118.2	91	-174.9	-66.7	-178.7	-176.3	175.8	0	113.4	L850 R854	L850-K852 PolarHBondContact O-N 2.69Å; K852-R854 PolarHBondContact O-N 2.98Å
853	K	54.5	Low	76.1	Confident	219 Å²	219	86 Å²	86	95%	0.952	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	14.2	179.7	-63.4	-167.7	173.4	-168.6	0	117.4
854	R	52.6	Low	75.5	Confident	246 Å²	246	87.6 Å²	87.6	93%	0.928	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	23.7	-172.3	-68	-172	177.7	169.6	-0.9	114.3	K852	K852-R854 PolarHBondContact O-N 2.98Å
855	K	59.3	Low	75.2	Confident	149 Å²	149	89 Å²	89	65%	0.648	43%	0.433	S	S	*	.	S	Bend	trans	-125	128.5	171.8	-73.4	-162.7	173	-164.6	0	110.3
856	M	66.4	Low	75	Confident	113 Å²	113	90.3 Å²	90.3	56%	0.557	44%	0.441	S	S	*	.			trans	-55.4	148.8	170.8	-72.5	-175.6	156.8	0	0	111.1	K858	M856-K858 PolarHBondContact O-N 2.89Å
857	V	81	Confident	74.9	Confident	6 Å²	6	90 Å²	90	4%	0.036	44%	0.44	C	S	.	.			trans	-61.6	134.1	176.8	-175.7	0	0	0	0	109.2	V859 I869 V876 Q878 F881	V857-V859 HydrophobicContact CG1-CG1 4.25Å; V857-I869 HydrophobicContact CB-CD1 3.97Å; V857-I869 HydrophobicContact CB-CG1 4.46Å; V857-I869 HydrophobicContact CG1-CD1 3.6Å; V857-I869 HydrophobicContact CG1-CG1 4.33Å; V857-V876 WeakPolarHBondContact CG2-O 3.35Å; V857-Q878 WeakPolarHBondContact CG2-O 3.48Å; V857-F881 HydrophobicContact CG1-CE2 4.25Å
858	K	87.6	Confident	75.2	Confident	84 Å²	84	84.6 Å²	84.6	37%	0.365	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.6	172.4	-67.8	-157.4	170.6	-151.5	0	109.5	R847 M856 L866 V867	R847-K858 WeakPolarHBondContact CB-O 3.3Å; R847-K858 PolarHBondContact N-O 2.93Å; M856-K858 PolarHBondContact O-N 2.89Å; K858-L866 HydrophobicContact CB-CD1 3.68Å; K858-L866 HydrophobicContact CB-CG 4.11Å; K858-L866 HydrophobicContact CD-CD1 4.43Å; K858-L866 HydrophobicContact CD-CD2 3.92Å; K858-L866 HydrophobicContact CD-CG 3.96Å; K858-V867 VanDerWaalsContact CA-O 3.26Å; K858-V867 WeakPolarHBondContact CA-O 3.39Å; K858-V867 VanDerWaalsContact CB-O 3.31Å; K858-V867 WeakPolarHBondContact CB-O 3.49Å
859	V	92.5	Very high	76.1	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.7	-173.7	-56.2	0	0	0	0	110	A844 K845 I846 V857 L866 V867 I869 L886 L899	A844-V859 HydrophobicContact CB-CB 3.93Å; A844-V859 HydrophobicContact CB-CG2 3.61Å; K845-V859 CarbonylContact O-C 3.5Å; K845-V859 VanDerWaalsContact O-CA 3.28Å; K845-V859 WeakPolarHBondContact O-CA 3.25Å; K845-V859 WeakPolarHBondContact O-CB 3.42Å; I846-V859 HydrophobicContact CG1-CG1 4.28Å; V857-V859 HydrophobicContact CG1-CG1 4.25Å; V859-L866 CarbonylContact O-C 3.6Å; V859-L866 WeakPolarHBondContact O-CA 3.4Å; V859-V867 HydrophobicContact CG2-CG2 3.5Å; V859-V867 PolarHBondContact N-O 2.91Å; V859-V867 PolarHBondContact O-N 3.13Å; V859-I869 HydrophobicContact CG1-CD1 4.37Å; V859-I869 HydrophobicContact CG1-CG1 4.46Å; V859-L886 HydrophobicContact CG1-CD1 3.97Å; V859-L899 HydrophobicContact CG2-CD1 3.64Å; V859-L899 HydrophobicContact CG2-CG 4.46Å
860	Y	92.3	Very high	77.2	Confident	96 Å²	96	80.1 Å²	80.1	38%	0.376	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.5	179.9	-70.3	-87	0	0	0	110.5	A844 K845 R847 G865 L866	A844-Y860 CarbonylContact C-O 3.48Å; A844-Y860 VanDerWaalsContact CA-O 3.26Å; A844-Y860 WeakPolarHBondContact CA-O 3.36Å; K845-Y860 PolarHBondContact N-O 2.99Å; K845-Y860 PolarHBondContact O-N 3.31Å; R847-Y860 HydrophobicContact CB-CD2 4.28Å; R847-Y860 HydrophobicContact CB-CE2 3.93Å; R847-Y860 HydrophobicContact CG-CE2 3.97Å; Y860-G865 CarbonylContact C-O 3.56Å; Y860-G865 WeakPolarHBondContact CA-O 3.19Å; Y860-L866 HydrophobicContact CD1-CB 4.18Å; Y860-L866 HydrophobicContact CD1-CD1 4.13Å; Y860-L866 HydrophobicContact CD2-CD1 4.06Å; Y860-L866 HydrophobicContact CE1-CB 3.96Å; Y860-L866 HydrophobicContact CE1-CD1 3.88Å; Y860-L866 HydrophobicContact CE1-CG 4.43Å; Y860-L866 HydrophobicContact CE2-CD1 3.79Å; Y860-L866 HydrophobicContact CG-CD1 4.23Å
861	T	90.8	Very high	78.7	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.043	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152.5	171.6	55.9	0	0	0	0	110.1	A844 T863 D864 G865 V867 Y888	A844-T861 HydrophobicContact CB-CG2 3.94Å; T861-T863 PolarHBondContact O-N 2.85Å; T861-D864 WeakPolarHBondContact OG1-CB 3.27Å; T861-D864 PolarHBondContact OG1-N 3.1Å; T861-D864 VanDerWaalsContact OG1-N 3.11Å; T861-D864 PolarHBondContact OG1-OD2 2.82Å; T861-G865 PolarHBondContact N-O 3.17Å; T861-G865 PolarHBondContact O-N 3.38Å; T861-G865 PolarHBondContact OG1-N 2.98Å; T861-G865 PolarHBondContact OG1-O 3.23Å; T861-V867 HydrophobicContact CG2-CG1 4.41Å; T861-V867 HydrophobicContact CG2-CG2 3.88Å; T861-Y888 HydrophobicContact CG2-CE1 4.05Å
862	K	86.5	Confident	80.2	Confident	112 Å²	112	73.8 Å²	73.8	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.4	175.7	-164.9	-175.4	-169.6	177.5	0	111.9	D931 W933	K862-D931 IonicContact NZ-OD2 3.89Å; K862-D931 PolarHBondContact NZ-OD2 3.44Å; K862-W933 HydrophobicContact CB-CD2 3.99Å; K862-W933 HydrophobicContact CB-CE3 4.44Å; K862-W933 HydrophobicContact CB-CG 4.44Å; K862-W933 HydrophobicContact CB-CH2 4.33Å; K862-W933 HydrophobicContact CB-CZ2 3.86Å; K862-W933 HydrophobicContact CD-CG 4.34Å; K862-W933 HydrophobicContact CG-CD2 4.14Å; K862-W933 HydrophobicContact CG-CG 4.05Å
863	T	80.8	Confident	81.9	Confident	92 Å²	92	66.9 Å²	66.9	56%	0.564	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-51.8	-171.7	39.4	0	0	0	0	113.7	T861	T861-T863 PolarHBondContact O-N 2.85Å
864	D	82.6	Confident	83.8	Confident	35 Å²	35	57.2 Å²	57.2	19%	0.187	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	1	-164.2	-44.6	-99.3	0	0	0	113	T861 L866 V867 K891 I897	T861-D864 WeakPolarHBondContact OG1-CB 3.27Å; T861-D864 PolarHBondContact OG1-N 3.1Å; T861-D864 VanDerWaalsContact OG1-N 3.11Å; T861-D864 PolarHBondContact OG1-OD2 2.82Å; D864-L866 PolarHBondContact O-N 3.27Å; D864-V867 HydrophobicContact CB-CG1 3.73Å; D864-K891 IonicContact OD1-NZ 2.92Å; D864-K891 PolarHBondContact OD1-NZ 3.35Å; D864-K891 IonicContact OD2-NZ 3.3Å; D864-K891 PolarHBondContact OD2-NZ 3.48Å; D864-I897 HydrophobicContact CB-CD1 3.73Å; D864-I897 WeakPolarHBondContact OD1-CD1 3.3Å
865	G	87.8	Confident	85.8	Confident	31 Å²	31	45.6 Å²	45.6	32%	0.32	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.3	-128.2	-173.8	0	0	0	0	0	111.4	Y860 T861 V867	Y860-G865 CarbonylContact C-O 3.56Å; Y860-G865 WeakPolarHBondContact CA-O 3.19Å; T861-G865 PolarHBondContact N-O 3.17Å; T861-G865 PolarHBondContact O-N 3.38Å; T861-G865 PolarHBondContact OG1-N 2.98Å; T861-G865 PolarHBondContact OG1-O 3.23Å; G865-V867 PolarHBondContact O-N 3.03Å
866	L	89.4	Confident	87.2	Confident	65 Å²	65	39.3 Å²	39.3	34%	0.34	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	100.9	-170.5	-174	71.2	0	0	0	112.9	K858 V859 Y860 D864	K858-L866 HydrophobicContact CB-CD1 3.68Å; K858-L866 HydrophobicContact CB-CG 4.11Å; K858-L866 HydrophobicContact CD-CD1 4.43Å; K858-L866 HydrophobicContact CD-CD2 3.92Å; K858-L866 HydrophobicContact CD-CG 3.96Å; V859-L866 CarbonylContact O-C 3.6Å; V859-L866 WeakPolarHBondContact O-CA 3.4Å; Y860-L866 HydrophobicContact CD1-CB 4.18Å; Y860-L866 HydrophobicContact CD1-CD1 4.13Å; Y860-L866 HydrophobicContact CD2-CD1 4.06Å; Y860-L866 HydrophobicContact CE1-CB 3.96Å; Y860-L866 HydrophobicContact CE1-CD1 3.88Å; Y860-L866 HydrophobicContact CE1-CG 4.43Å; Y860-L866 HydrophobicContact CE2-CD1 3.79Å; Y860-L866 HydrophobicContact CG-CD1 4.23Å; D864-L866 PolarHBondContact O-N 3.27Å
867	V	89.8	Confident	88.2	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	172.8	179.9	-52.3	0	0	0	0	112	K858 V859 T861 D864 G865 I897 L899	K858-V867 VanDerWaalsContact CA-O 3.26Å; K858-V867 WeakPolarHBondContact CA-O 3.39Å; K858-V867 VanDerWaalsContact CB-O 3.31Å; K858-V867 WeakPolarHBondContact CB-O 3.49Å; V859-V867 HydrophobicContact CG2-CG2 3.5Å; V859-V867 PolarHBondContact N-O 2.91Å; V859-V867 PolarHBondContact O-N 3.13Å; T861-V867 HydrophobicContact CG2-CG1 4.41Å; T861-V867 HydrophobicContact CG2-CG2 3.88Å; D864-V867 HydrophobicContact CB-CG1 3.73Å; G865-V867 PolarHBondContact O-N 3.03Å; V867-I897 HydrophobicContact CB-CB 4.28Å; V867-I897 HydrophobicContact CB-CG2 4.08Å; V867-I897 HydrophobicContact CG1-CB 3.84Å; V867-I897 HydrophobicContact CG1-CG2 3.62Å; V867-L899 HydrophobicContact CG2-CD1 4.26Å; V867-L899 HydrophobicContact CG2-CD2 4.11Å; V867-L899 HydrophobicContact CG2-CG 4Å
868	A	90.4	Very high	88.6	Confident	6 Å²	6	42.1 Å²	42.1	5%	0.05	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	163.5	176.3	0	0	0	0	0	111.8	I897 Y898 L899	A868-I897 PolarHBondContact N-O 3.1Å; A868-Y898 HydrophobicContact CB-CD1 3.66Å; A868-Y898 HydrophobicContact CB-CE1 3.63Å; A868-Y898 VanDerWaalsContact O-CA 3.3Å; A868-Y898 WeakPolarHBondContact O-CA 3.41Å; A868-L899 PolarHBondContact O-N 3.37Å
869	I	90.4	Very high	88.4	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.3	167.9	-60.4	-177.7	0	0	0	108.6	V857 V859 N875 V876 L886 Y898	V857-I869 HydrophobicContact CB-CD1 3.97Å; V857-I869 HydrophobicContact CB-CG1 4.46Å; V857-I869 HydrophobicContact CG1-CD1 3.6Å; V857-I869 HydrophobicContact CG1-CG1 4.33Å; V859-I869 HydrophobicContact CG1-CD1 4.37Å; V859-I869 HydrophobicContact CG1-CG1 4.46Å; I869-N875 HydrophobicContact CD1-CB 4.06Å; I869-N875 HydrophobicContact CG2-CB 4.47Å; I869-V876 HydrophobicContact CB-CB 4.43Å; I869-V876 HydrophobicContact CB-CG2 4.47Å; I869-V876 HydrophobicContact CG2-CB 3.98Å; I869-V876 HydrophobicContact CG2-CG2 4.47Å; I869-L886 HydrophobicContact CD1-CD1 3.91Å; I869-Y898 WeakPolarHBondContact O-CD1 3.24Å
870	H	87.1	Confident	88.1	Confident	38 Å²	38	46.8 Å²	46.8	18%	0.176	25%	0.251	C	S	.	.			trans	-68.5	142.4	-178.1	-174.2	-107.3	0	0	0	111.7	K872 S873 L899 Y900	H870-K872 VanDerWaalsContact ND1-CB 3.34Å; H870-K872 WeakPolarHBondContact ND1-CB 3.27Å; H870-K872 PolarHBondContact ND1-N 2.73Å; H870-K872 PolarHBondContact O-N 3.46Å; H870-S873 WeakPolarHBondContact O-CB 3.32Å; H870-S873 PolarHBondContact O-N 2.95Å; H870-L899 WeakPolarHBondContact CB-O 3.4Å; H870-L899 PolarHBondContact N-O 2.98Å; H870-Y900 AromaticContact CE1-CD2 3.92Å; H870-Y900 AromaticContact ND1-CD2 3.64Å
871	P	84.1	Confident	87.9	Confident	65 Å²	65	43 Å²	43	42%	0.422	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.3	-179.2	-29.4	37.4	0	0	0	116.3
872	K	83.8	Confident	87.8	Confident	30 Å²	30	47.7 Å²	47.7	13%	0.13	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.4	175.2	-169	-179.2	177.5	178.2	0	113.1	D729 I733 R745 H870 Y900	D729-K872 WeakPolarHBondContact OD1-CE 3.38Å; D729-K872 IonicContact OD1-NZ 2.86Å; D729-K872 PolarHBondContact OD1-NZ 3.11Å; D729-K872 IonicContact OD2-NZ 2.76Å; D729-K872 PolarHBondContact OD2-NZ 3.45Å; I733-K872 HydrophobicContact CD1-CG 4.34Å; R745-K872 PolarHBondContact NH1-O 3.39Å; H870-K872 VanDerWaalsContact ND1-CB 3.34Å; H870-K872 WeakPolarHBondContact ND1-CB 3.27Å; H870-K872 PolarHBondContact ND1-N 2.73Å; H870-K872 PolarHBondContact O-N 3.46Å; K872-Y900 HydrophobicContact CD-CE2 3.92Å; K872-Y900 WeakPolarHBondContact CD-OH 3.47Å; K872-Y900 PolarHBondContact NZ-OH 3.04Å
873	S	91.1	Very high	87.9	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.028	24%	0.24	C	C	.	.	S	Bend	trans	-68.4	139.2	-173.4	169.7	0	0	0	0	111.5	D755 H870 N875 V876	D755-S873 VanDerWaalsContact OD1-CA 3.25Å; D755-S873 WeakPolarHBondContact OD1-CA 3.3Å; D755-S873 PolarHBondContact OD1-OG 3.27Å; D755-S873 VanDerWaalsContact OD2-CB 3.32Å; D755-S873 WeakPolarHBondContact OD2-CB 3.2Å; D755-S873 PolarHBondContact OD2-OG 2.9Å; H870-S873 WeakPolarHBondContact O-CB 3.32Å; H870-S873 PolarHBondContact O-N 2.95Å; S873-N875 PolarHBondContact O-N 2.89Å; S873-N875 PolarHBondContact OG-N 3.29Å; S873-V876 VanDerWaalsContact O-CG1 3.3Å; S873-V876 WeakPolarHBondContact O-CG1 3.44Å; S873-V876 PolarHBondContact O-N 3.34Å; S873-V876 VanDerWaalsContact O-N 3.17Å
874	V	93.9	Very high	88.3	Confident	17 Å²	17	40.5 Å²	40.5	10%	0.103	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.8	176.3	-56.6	0	0	0	0	112.7	R745 A749 D755 T758	R745-V874 HydrophobicContact CG-CG1 3.87Å; A749-V874 HydrophobicContact CB-CB 3.94Å; A749-V874 HydrophobicContact CB-CG1 3.85Å; A749-V874 HydrophobicContact CB-CG2 4.06Å; D755-V874 WeakPolarHBondContact OD1-CG2 3.4Å; D755-V874 PolarHBondContact OD1-N 2.98Å; T758-V874 HydrophobicContact CG2-CG1 4.24Å
875	N	93.9	Very high	88.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.6	-178	-70.8	-45.1	0	0	0	114.6	R753 I869 S873 E877 Q878 F881 C902	R753-N875 WeakPolarHBondContact CA-OD1 3.37Å; R753-N875 PolarHBondContact O-ND2 3.29Å; R753-N875 PolarHBondContact O-OD1 3.18Å; I869-N875 HydrophobicContact CD1-CB 4.06Å; I869-N875 HydrophobicContact CG2-CB 4.47Å; S873-N875 PolarHBondContact O-N 2.89Å; S873-N875 PolarHBondContact OG-N 3.29Å; N875-E877 VanDerWaalsContact C-N 3.32Å; N875-E877 PolarHBondContact O-N 2.95Å; N875-Q878 PolarHBondContact O-N 3.47Å; N875-Q878 VanDerWaalsContact O-N 3.16Å; N875-F881 HydrophobicContact CB-CE1 4.36Å; N875-F881 HydrophobicContact CB-CZ 4.2Å; N875-C902 PolarHBondContact ND2-O 3.08Å; N875-C902 PolarHBondContact ND2-SG 2.62Å
876	V	89.8	Confident	89.3	Confident	17 Å²	17	37.6 Å²	37.6	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.7	-172.9	68	0	0	0	0	114.7	V857 I869 S873	V857-V876 WeakPolarHBondContact CG2-O 3.35Å; I869-V876 HydrophobicContact CB-CB 4.43Å; I869-V876 HydrophobicContact CB-CG2 4.47Å; I869-V876 HydrophobicContact CG2-CB 3.98Å; I869-V876 HydrophobicContact CG2-CG2 4.47Å; S873-V876 VanDerWaalsContact O-CG1 3.3Å; S873-V876 WeakPolarHBondContact O-CG1 3.44Å; S873-V876 PolarHBondContact O-N 3.34Å; S873-V876 VanDerWaalsContact O-N 3.17Å
877	E	87.2	Confident	89.6	Confident	144 Å²	144	34.5 Å²	34.5	67%	0.673	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	7.7	175.6	-71.6	-173.2	164.3	0	0	113	N875 T879	N875-E877 VanDerWaalsContact C-N 3.32Å; N875-E877 PolarHBondContact O-N 2.95Å; E877-T879 PolarHBondContact O-N 3.32Å
878	Q	87.7	Confident	89.8	Confident	34 Å²	34	35 Å²	35	16%	0.159	18%	0.181	C	C	.	.			trans	-72.3	130.7	-179.5	-179.7	57.6	-72.9	0	0	110.6	R753 V857 N875 F881	R753-Q878 HydrophobicContact CG-CG 4.19Å; V857-Q878 WeakPolarHBondContact CG2-O 3.48Å; N875-Q878 PolarHBondContact O-N 3.47Å; N875-Q878 VanDerWaalsContact O-N 3.16Å; Q878-F881 HydrophobicContact CB-CE1 4.23Å; Q878-F881 HydrophobicContact CB-CE2 3.97Å; Q878-F881 HydrophobicContact CB-CZ 3.66Å; Q878-F881 HydrophobicContact CG-CD1 4.14Å; Q878-F881 HydrophobicContact CG-CD2 4.15Å; Q878-F881 HydrophobicContact CG-CE1 3.78Å; Q878-F881 HydrophobicContact CG-CE2 3.81Å; Q878-F881 HydrophobicContact CG-CG 4.32Å; Q878-F881 HydrophobicContact CG-CZ 3.62Å; Q878-F881 VanDerWaalsContact O-CE2 3.3Å; Q878-F881 WeakPolarHBondContact O-CE2 3.42Å
879	T	84.1	Confident	89.7	Confident	115 Å²	115	36.2 Å²	36.2	71%	0.706	19%	0.186	S	C	*	.			trans	-115.8	-17.8	175.4	57.5	0	0	0	0	113.3	E877	E877-T879 PolarHBondContact O-N 3.32Å
880	D	86.7	Confident	89.3	Confident	68 Å²	68	39.3 Å²	39.3	36%	0.364	20%	0.202	S	C	.	.			trans	-109.8	83.1	-178.7	-158.5	43	0	0	0	110.4	R753 R996	R753-D880 PolarHBondContact NE-O 2.95Å; R753-D880 PolarHBondContact NH2-O 2.95Å; D880-R996 IonicContact OD1-CZ 3.45Å; D880-R996 IonicContact OD1-NH1 3.54Å; D880-R996 PolarHBondContact OD1-NH1 3.06Å; D880-R996 IonicContact OD1-NH2 2.74Å
881	F	88.1	Confident	89.1	Confident	16 Å²	16	38.3 Å²	38.3	7%	0.07	20%	0.197	C	C	.	.			trans	-89.4	140.7	166.9	-65.4	-80.1	0	0	0	109.3	R753 I846 V857 N875 Q878 L886 E904 R996	R753-F881 HydrophobicContact CB-CD1 4.44Å; R753-F881 HydrophobicContact CB-CE1 4.43Å; R753-F881 HydrophobicContact CG-CD1 4.14Å; R753-F881 HydrophobicContact CG-CE1 4.35Å; I846-F881 HydrophobicContact CD1-CB 3.94Å; I846-F881 HydrophobicContact CD1-CD1 3.72Å; I846-F881 HydrophobicContact CD1-CD2 3.99Å; I846-F881 HydrophobicContact CD1-CE1 4.18Å; I846-F881 HydrophobicContact CD1-CE2 4.41Å; I846-F881 HydrophobicContact CD1-CG 3.62Å; I846-F881 HydrophobicContact CD1-CZ 4.49Å; I846-F881 HydrophobicContact CG2-CD2 4.08Å; I846-F881 HydrophobicContact CG2-CE2 4.38Å; V857-F881 HydrophobicContact CG1-CE2 4.25Å; N875-F881 HydrophobicContact CB-CE1 4.36Å; N875-F881 HydrophobicContact CB-CZ 4.2Å; Q878-F881 HydrophobicContact CB-CE1 4.23Å; Q878-F881 HydrophobicContact CB-CE2 3.97Å; Q878-F881 HydrophobicContact CB-CZ 3.66Å; Q878-F881 HydrophobicContact CG-CD1 4.14Å; Q878-F881 HydrophobicContact CG-CD2 4.15Å; Q878-F881 HydrophobicContact CG-CE1 3.78Å; Q878-F881 HydrophobicContact CG-CE2 3.81Å; Q878-F881 HydrophobicContact CG-CG 4.32Å; Q878-F881 HydrophobicContact CG-CZ 3.62Å; Q878-F881 VanDerWaalsContact O-CE2 3.3Å; Q878-F881 WeakPolarHBondContact O-CE2 3.42Å; F881-L886 HydrophobicContact CD1-CD2 4.44Å; F881-L886 HydrophobicContact CE1-CD2 4.03Å; F881-E904 VanDerWaalsContact CA-OE1 3.3Å; F881-E904 WeakPolarHBondContact CA-OE1 3.38Å; F881-E904 WeakPolarHBondContact CB-OE1 3.31Å; F881-E904 HydrophobicContact CD1-CG 4.46Å; F881-R996 PolarHBondContact O-NH2 3.22Å
882	H	87.6	Confident	88.4	Confident	105 Å²	105	37.7 Å²	37.7	49%	0.486	19%	0.189	S	C	.	.	S	Bend	trans	-80.7	-33.8	172.6	-62.2	150.4	0	0	0	111.9	R753 E904	R753-H882 PolarHBondContact NH1-CE1 3.39Å; R753-H882 PolarHBondContact NH2-NE2 2.98Å; H882-E904 WeakPolarHBondContact CA-OE1 3.26Å; H882-E904 PolarHBondContact N-OE1 2.76Å
883	Y	88.4	Confident	87.5	Confident	30 Å²	30	40.8 Å²	40.8	12%	0.118	20%	0.2	C	C	.	.	S	Bend	trans	-121	162.1	-177.4	-60.3	-76.5	0	0	0	111	I846 E904 V905 E991	I846-Y883 WeakPolarHBondContact CD1-O 3.35Å; Y883-E904 HydrophobicContact CD2-CG 4.04Å; Y883-E904 PolarHBondContact N-OE1 3.46Å; Y883-V905 VanDerWaalsContact CB-O 3.3Å; Y883-V905 WeakPolarHBondContact CB-O 3.39Å; Y883-E991 HydrophobicContact CD1-CG 4.19Å; Y883-E991 HydrophobicContact CE1-CB 4.38Å; Y883-E991 HydrophobicContact CE1-CG 4.13Å
884	N	89.9	Confident	86.1	Confident	24 Å²	24	41.8 Å²	41.8	13%	0.128	21%	0.206	C	C	.	.	S	Bend	trans	-91.5	6.3	-178.1	-71.4	-54.3	0	0	0	114.5	K845 I846	K845-N884 CarbonylContact C-O 3.58Å; K845-N884 WeakPolarHBondContact CA-O 3.43Å; I846-N884 PolarHBondContact N-O 2.88Å
885	W	94	Very high	84.5	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.6	-170	-57.1	100.2	0	0	0	112.9	V843 K845 E904 V905 L910 W933 I934	V843-W885 HydrophobicContact CG1-CE3 3.8Å; V843-W885 HydrophobicContact CG1-CZ3 4.34Å; K845-W885 HydrophobicContact CB-CE3 3.9Å; K845-W885 HydrophobicContact CB-CH2 4.03Å; K845-W885 HydrophobicContact CB-CZ3 3.53Å; K845-W885 HydrophobicContact CD-CH2 3.86Å; K845-W885 HydrophobicContact CD-CZ2 4.3Å; K845-W885 HydrophobicContact CD-CZ3 4.28Å; K845-W885 HydrophobicContact CG-CE3 4.22Å; K845-W885 HydrophobicContact CG-CH2 3.92Å; K845-W885 HydrophobicContact CG-CZ2 4.32Å; K845-W885 HydrophobicContact CG-CZ3 3.9Å; W885-E904 WeakPolarHBondContact O-CA 3.41Å; W885-V905 HydrophobicContact CB-CG2 4.15Å; W885-V905 PolarHBondContact O-N 3.23Å; W885-L910 HydrophobicContact CB-CD1 3.75Å; W885-L910 HydrophobicContact CD2-CD1 3.89Å; W885-L910 HydrophobicContact CE3-CD1 4.27Å; W885-L910 HydrophobicContact CG-CD1 3.63Å; W885-W933 HydrophobicContact CZ3-CH2 4.24Å; W885-W933 HydrophobicContact CZ3-CZ3 4.07Å; W885-I934 HydrophobicContact CD2-CG2 4.34Å; W885-I934 HydrophobicContact CE3-CG2 4.39Å; W885-I934 HydrophobicContact CH2-CB 4.1Å; W885-I934 HydrophobicContact CH2-CG1 4.28Å; W885-I934 HydrophobicContact CH2-CG2 3.83Å; W885-I934 HydrophobicContact CZ2-CB 4.45Å; W885-I934 HydrophobicContact CZ2-CG2 3.75Å; W885-I934 HydrophobicContact CZ3-CB 4.4Å; W885-I934 HydrophobicContact CZ3-CG1 4.11Å; W885-I934 HydrophobicContact CZ3-CG2 4.13Å
886	L	96.9	Very high	83.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.5	168.5	-56.7	179.2	0	0	0	109.9	V843 A844 I846 V859 I869 F881 C902 T903 E904	V843-L886 CarbonylContact C-O 3.55Å; V843-L886 WeakPolarHBondContact CA-O 3.46Å; A844-L886 PolarHBondContact N-O 2.98Å; A844-L886 PolarHBondContact O-N 3.18Å; I846-L886 HydrophobicContact CD1-CD2 3.86Å; I846-L886 HydrophobicContact CD1-CG 3.94Å; I846-L886 HydrophobicContact CG1-CD1 4.2Å; I846-L886 HydrophobicContact CG1-CD2 4.29Å; I846-L886 HydrophobicContact CG1-CG 3.82Å; V859-L886 HydrophobicContact CG1-CD1 3.97Å; I869-L886 HydrophobicContact CD1-CD1 3.91Å; F881-L886 HydrophobicContact CD1-CD2 4.44Å; F881-L886 HydrophobicContact CE1-CD2 4.03Å; L886-C902 HydrophobicContact CB-CB 4.42Å; L886-C902 HydrophobicContact CD1-CB 4.29Å; L886-T903 CarbonylContact C-O 3.54Å; L886-T903 VanDerWaalsContact CA-O 3.28Å; L886-T903 WeakPolarHBondContact CA-O 3.41Å; L886-E904 HydrophobicContact CD2-CB 4.03Å
887	I	96.6	Very high	83	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.5	157.2	54.7	-179.6	0	0	0	109.4	I835 C836 L839 K842 V843 C902 T903 V905 L910	I835-I887 HydrophobicContact CB-CD1 3.93Å; I835-I887 HydrophobicContact CG2-CD1 3.56Å; I835-I887 HydrophobicContact CG2-CG1 4.48Å; C836-I887 VanDerWaalsContact CA-CD1 3.45Å; C836-I887 HydrophobicContact CB-CD1 3.97Å; C836-I887 VanDerWaalsContact N-CD1 3.33Å; L839-I887 HydrophobicContact CB-CB 4.29Å; L839-I887 HydrophobicContact CB-CD1 4.42Å; L839-I887 HydrophobicContact CD1-CD1 4.38Å; L839-I887 HydrophobicContact CD1-CG1 4.44Å; K842-I887 WeakPolarHBondContact O-CA 3.39Å; V843-I887 HydrophobicContact CG2-CG2 4.12Å; I887-C902 CarbonylContact O-C 3.54Å; I887-C902 WeakPolarHBondContact O-CA 3.42Å; I887-C902 WeakPolarHBondContact O-CB 3.49Å; I887-T903 HydrophobicContact CD1-CG2 4.46Å; I887-T903 HydrophobicContact CG1-CG2 4.41Å; I887-T903 WeakPolarHBondContact CG1-O 3.5Å; I887-T903 PolarHBondContact N-O 3.11Å; I887-T903 PolarHBondContact O-N 3.45Å; I887-V905 HydrophobicContact CD1-CG1 3.66Å; I887-V905 HydrophobicContact CG1-CG1 3.89Å; I887-V905 HydrophobicContact CG2-CG2 4.02Å; I887-L910 HydrophobicContact CG2-CD2 4.38Å
888	Y	94.6	Very high	82.8	Confident	14 Å²	14	40.4 Å²	40.4	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.9	179.5	65.4	-92.5	0	0	0	111.4	K842 A844 T861 K891 L899 D901	K842-Y888 VanDerWaalsContact C-CE1 3.41Å; K842-Y888 HydrophobicContact CB-CD1 4.19Å; K842-Y888 HydrophobicContact CB-CD2 3.95Å; K842-Y888 HydrophobicContact CB-CE1 3.99Å; K842-Y888 HydrophobicContact CB-CE2 3.71Å; K842-Y888 HydrophobicContact CB-CG 4.18Å; K842-Y888 WeakPolarHBondContact CB-O 3.32Å; K842-Y888 HydrophobicContact CD-CD2 4.42Å; K842-Y888 HydrophobicContact CD-CE2 4.25Å; K842-Y888 WeakPolarHBondContact CD-O 3.5Å; K842-Y888 HydrophobicContact CG-CE2 4.08Å; K842-Y888 WeakPolarHBondContact O-CD1 3.3Å; K842-Y888 WeakPolarHBondContact O-CE1 3.32Å; K842-Y888 PolarHBondContact O-N 3.29Å; A844-Y888 HydrophobicContact CB-CD1 4.49Å; T861-Y888 HydrophobicContact CG2-CE1 4.05Å; Y888-K891 HydrophobicContact CD2-CB 4.27Å; Y888-K891 HydrophobicContact CE2-CB 3.74Å; Y888-K891 HydrophobicContact CE2-CD 4.42Å; Y888-K891 HydrophobicContact CE2-CG 4.47Å; Y888-L899 HydrophobicContact CD1-CD1 3.68Å; Y888-L899 HydrophobicContact CD1-CD2 3.79Å; Y888-L899 HydrophobicContact CD1-CG 4.31Å; Y888-L899 HydrophobicContact CD2-CD2 3.84Å; Y888-L899 HydrophobicContact CE1-CD1 4.29Å; Y888-L899 HydrophobicContact CE1-CD2 3.91Å; Y888-L899 HydrophobicContact CE2-CD2 3.98Å; Y888-L899 HydrophobicContact CG-CB 4.47Å; Y888-L899 HydrophobicContact CG-CD1 4.01Å; Y888-L899 HydrophobicContact CG-CD2 3.74Å; Y888-L899 HydrophobicContact CG-CG 4.28Å; Y888-D901 VanDerWaalsContact CA-O 3.25Å; Y888-D901 WeakPolarHBondContact CA-O 3.43Å; Y888-D901 WeakPolarHBondContact CB-O 3.34Å
889	H	88.3	Confident	82.9	Confident	33 Å²	33	38.8 Å²	38.8	15%	0.153	20%	0.2	C	C	.	.	S	Bend	trans	-104.1	-56.4	177.2	168.9	-109.3	0	0	0	111.6	H701 L725 L839 K842 D901	H701-H889 AromaticContact NE2-CD2 3.58Å; H701-H889 AromaticContact NE2-NE2 3.47Å; H701-H889 PolarHBondContact NE2-NE2 3.19Å; L725-H889 HydrophobicContact CD2-CB 3.84Å; L839-H889 HydrophobicContact CD1-CB 4.07Å; L839-H889 HydrophobicContact CD2-CB 3.79Å; K842-H889 WeakPolarHBondContact CD-O 3.18Å; K842-H889 PolarHBondContact NZ-O 3.37Å; H889-D901 PolarHBondContact N-OD1 2.86Å; H889-D901 IonicContact ND1-OD2 2.78Å
890	L	81.8	Confident	82.9	Confident	67 Å²	67	35.9 Å²	35.9	35%	0.351	18%	0.176	S	C	.	.			trans	-104	116.5	-177.1	179.9	63.8	0	0	0	111.1	Y900 D901	L890-Y900 HydrophobicContact CB-CD1 4.38Å; L890-Y900 HydrophobicContact CD2-CD1 3.95Å; L890-Y900 HydrophobicContact CD2-CG 3.94Å; L890-Y900 HydrophobicContact CG-CG 4.48Å; L890-Y900 WeakPolarHBondContact O-CB 3.47Å; L890-Y900 PolarHBondContact O-N 3.15Å; L890-D901 PolarHBondContact N-OD1 3.37Å
891	K	82.3	Confident	83.1	Confident	16 Å²	16	33.6 Å²	33.6	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.6	169	-175.5	179	71	165.1	0	107.9	N581 I583 D864 Y888 I897 L899	N581-K891 PolarHBondContact O-NZ 2.98Å; I583-K891 WeakPolarHBondContact CG2-O 3.46Å; D864-K891 IonicContact OD1-NZ 2.92Å; D864-K891 PolarHBondContact OD1-NZ 3.35Å; D864-K891 IonicContact OD2-NZ 3.3Å; D864-K891 PolarHBondContact OD2-NZ 3.48Å; Y888-K891 HydrophobicContact CD2-CB 4.27Å; Y888-K891 HydrophobicContact CE2-CB 3.74Å; Y888-K891 HydrophobicContact CE2-CD 4.42Å; Y888-K891 HydrophobicContact CE2-CG 4.47Å; K891-I897 HydrophobicContact CD-CG2 3.76Å; K891-I897 HydrophobicContact CG-CG2 3.55Å; K891-L899 HydrophobicContact CB-CD2 4.44Å; K891-L899 HydrophobicContact CG-CD2 4.2Å
892	M	70.1	Confident	83.5	Confident	53 Å²	53	32.8 Å²	32.8	26%	0.261	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141	178.3	68	-171.2	-56.5	0	0	110.9	T894 Y898 Y900	M892-T894 HydrophobicContact CE-CG2 3.86Å; M892-T894 HydrophobicContact CG-CG2 4.47Å; M892-Y898 PolarHBondContact N-O 2.9Å; M892-Y898 PolarHBondContact O-N 3.43Å; M892-Y900 HydrophobicContact SD-CD2 3.9Å
893	R	65.1	Low	84	Confident	94 Å²	94	27.8 Å²	27.8	36%	0.355	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.1	167.7	-155.1	174.1	-158.8	129.9	6.4	107.8	G425 V427 N581 I897	G425-R893 CarbonylContact O-C 3.59Å; V427-R893 HydrophobicContact CG2-CB 4.27Å; N581-R893 PolarHBondContact ND2-NH1 3.38Å; N581-R893 PolarHBondContact OD1-NH1 3.15Å; R893-I897 HydrophobicContact CG-CG1 4.19Å
894	T	61.8	Low	84.3	Confident	26 Å²	26	26.4 Å²	26.4	16%	0.16	13%	0.132	C	C	.	.	S	Bend	trans	-130.1	-127.2	161.5	72.6	0	0	0	0	108.2	M423 Q424 G425 M892 S896 Y898	M423-T894 WeakPolarHBondContact O-CB 3.3Å; Q424-T894 WeakPolarHBondContact O-CA 3.46Å; Q424-T894 WeakPolarHBondContact O-CB 3.5Å; Q424-T894 WeakPolarHBondContact O-CG2 3.38Å; G425-T894 WeakPolarHBondContact CA-O 3.46Å; M892-T894 HydrophobicContact CE-CG2 3.86Å; M892-T894 HydrophobicContact CG-CG2 4.47Å; T894-S896 PolarHBondContact N-O 3.48Å; T894-S896 PolarHBondContact O-N 2.98Å; T894-S896 VanDerWaalsContact O-N 3.08Å; T894-Y898 WeakPolarHBondContact OG1-CD2 3.28Å; T894-Y898 WeakPolarHBondContact OG1-CE2 3.48Å
895	S	58.9	Low	84.6	Confident	52 Å²	52	25.3 Å²	25.3	36%	0.364	13%	0.126	S	C	.	.	S	Bend	trans	-56	-23.1	167.4	35.7	0	0	0	0	114.3	F422 M423	F422-S895 WeakPolarHBondContact O-CA 3.3Å; F422-S895 WeakPolarHBondContact O-CB 3.25Å; M423-S895 PolarHBondContact O-N 3.02Å; M423-S895 VanDerWaalsContact O-N 3.16Å
896	S	70.8	Confident	84.5	Confident	42 Å²	42	25.5 Å²	25.5	29%	0.294	13%	0.128	S	C	.	.	S	Bend	trans	-150.2	179.6	173.6	54.2	0	0	0	0	108.4	T894 Y898	T894-S896 PolarHBondContact N-O 3.48Å; T894-S896 PolarHBondContact O-N 2.98Å; T894-S896 VanDerWaalsContact O-N 3.08Å; S896-Y898 WeakPolarHBondContact O-CD2 3.34Å; S896-Y898 WeakPolarHBondContact O-CE2 3.46Å; S896-Y898 WeakPolarHBondContact OG-CE2 3.48Å; S896-Y898 VanDerWaalsContact OG-CZ 3.31Å; S896-Y898 PolarHBondContact OG-OH 3.12Å
897	I	81.5	Confident	84.2	Confident	20 Å²	20	25.5 Å²	25.5	10%	0.103	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.1	173.2	-64	167.9	0	0	0	108.9	D864 V867 A868 K891 R893	D864-I897 HydrophobicContact CB-CD1 3.73Å; D864-I897 WeakPolarHBondContact OD1-CD1 3.3Å; V867-I897 HydrophobicContact CB-CB 4.28Å; V867-I897 HydrophobicContact CB-CG2 4.08Å; V867-I897 HydrophobicContact CG1-CB 3.84Å; V867-I897 HydrophobicContact CG1-CG2 3.62Å; A868-I897 PolarHBondContact N-O 3.1Å; K891-I897 HydrophobicContact CD-CG2 3.76Å; K891-I897 HydrophobicContact CG-CG2 3.55Å; R893-I897 HydrophobicContact CG-CG1 4.19Å
898	Y	83.1	Confident	83.9	Confident	36 Å²	36	25.5 Å²	25.5	14%	0.141	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.6	179.8	-69.2	-89.6	0	0	0	110.7	A868 I869 M892 T894 S896	A868-Y898 HydrophobicContact CB-CD1 3.66Å; A868-Y898 HydrophobicContact CB-CE1 3.63Å; A868-Y898 VanDerWaalsContact O-CA 3.3Å; A868-Y898 WeakPolarHBondContact O-CA 3.41Å; I869-Y898 WeakPolarHBondContact O-CD1 3.24Å; M892-Y898 PolarHBondContact N-O 2.9Å; M892-Y898 PolarHBondContact O-N 3.43Å; T894-Y898 WeakPolarHBondContact OG1-CD2 3.28Å; T894-Y898 WeakPolarHBondContact OG1-CE2 3.48Å; S896-Y898 WeakPolarHBondContact O-CD2 3.34Å; S896-Y898 WeakPolarHBondContact O-CE2 3.46Å; S896-Y898 WeakPolarHBondContact OG-CE2 3.48Å; S896-Y898 VanDerWaalsContact OG-CZ 3.31Å; S896-Y898 PolarHBondContact OG-OH 3.12Å
899	L	89.7	Confident	83.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.1	165.7	-50.5	-174	0	0	0	107.9	A844 V859 V867 A868 H870 Y888 K891	A844-L899 HydrophobicContact CB-CD1 3.92Å; V859-L899 HydrophobicContact CG2-CD1 3.64Å; V859-L899 HydrophobicContact CG2-CG 4.46Å; V867-L899 HydrophobicContact CG2-CD1 4.26Å; V867-L899 HydrophobicContact CG2-CD2 4.11Å; V867-L899 HydrophobicContact CG2-CG 4Å; A868-L899 PolarHBondContact O-N 3.37Å; H870-L899 WeakPolarHBondContact CB-O 3.4Å; H870-L899 PolarHBondContact N-O 2.98Å; Y888-L899 HydrophobicContact CD1-CD1 3.68Å; Y888-L899 HydrophobicContact CD1-CD2 3.79Å; Y888-L899 HydrophobicContact CD1-CG 4.31Å; Y888-L899 HydrophobicContact CD2-CD2 3.84Å; Y888-L899 HydrophobicContact CE1-CD1 4.29Å; Y888-L899 HydrophobicContact CE1-CD2 3.91Å; Y888-L899 HydrophobicContact CE2-CD2 3.98Å; Y888-L899 HydrophobicContact CG-CB 4.47Å; Y888-L899 HydrophobicContact CG-CD1 4.01Å; Y888-L899 HydrophobicContact CG-CD2 3.74Å; Y888-L899 HydrophobicContact CG-CG 4.28Å; K891-L899 HydrophobicContact CB-CD2 4.44Å; K891-L899 HydrophobicContact CG-CD2 4.2Å
900	Y	85.1	Confident	84.1	Confident	53 Å²	53	23.4 Å²	23.4	21%	0.208	12%	0.119	C	C	.	.	S	Bend	trans	-73.5	-44.1	-173.7	176.3	-96.3	0	0	0	112.2	D729 H870 K872 L890 M892	D729-Y900 PolarHBondContact OD2-OH 2.96Å; H870-Y900 AromaticContact CE1-CD2 3.92Å; H870-Y900 AromaticContact ND1-CD2 3.64Å; K872-Y900 HydrophobicContact CD-CE2 3.92Å; K872-Y900 WeakPolarHBondContact CD-OH 3.47Å; K872-Y900 PolarHBondContact NZ-OH 3.04Å; L890-Y900 HydrophobicContact CB-CD1 4.38Å; L890-Y900 HydrophobicContact CD2-CD1 3.95Å; L890-Y900 HydrophobicContact CD2-CG 3.94Å; L890-Y900 HydrophobicContact CG-CG 4.48Å; L890-Y900 WeakPolarHBondContact O-CB 3.47Å; L890-Y900 PolarHBondContact O-N 3.15Å; M892-Y900 HydrophobicContact SD-CD2 3.9Å
901	D	90.1	Very high	84.6	Confident	20 Å²	20	20.2 Å²	20.2	11%	0.107	10%	0.102	C	C	.	.	S	Bend	trans	-133.8	133.1	-177.9	46.8	6.1	0	0	0	110.3	D755 Y888 H889 L890	D755-D901 HydrophobicContact CB-CB 4.15Å; Y888-D901 VanDerWaalsContact CA-O 3.25Å; Y888-D901 WeakPolarHBondContact CA-O 3.43Å; Y888-D901 WeakPolarHBondContact CB-O 3.34Å; H889-D901 PolarHBondContact N-OD1 2.86Å; H889-D901 IonicContact ND1-OD2 2.78Å; L890-D901 PolarHBondContact N-OD1 3.37Å
902	C	96.4	Very high	85.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.7	178.3	65.2	0	0	0	0	114.7	S754 D755 N875 L886 I887	S754-C902 WeakPolarHBondContact CA-O 3.22Å; D755-C902 PolarHBondContact N-O 2.79Å; D755-C902 PolarHBondContact OD2-N 3.45Å; N875-C902 PolarHBondContact ND2-O 3.08Å; N875-C902 PolarHBondContact ND2-SG 2.62Å; L886-C902 HydrophobicContact CB-CB 4.42Å; L886-C902 HydrophobicContact CD1-CB 4.29Å; I887-C902 CarbonylContact O-C 3.54Å; I887-C902 WeakPolarHBondContact O-CA 3.42Å; I887-C902 WeakPolarHBondContact O-CB 3.49Å
903	T	98.1	Very high	86.1	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.4	177	-70.3	0	0	0	0	109.7	S754 H756 K832 I835 L886 I887 V905	S754-T903 PolarHBondContact OG-OG1 3.39Å; H756-T903 PolarHBondContact ND1-OG1 2.9Å; K832-T903 HydrophobicContact CD-CG2 4.37Å; K832-T903 HydrophobicContact CG-CG2 3.83Å; I835-T903 HydrophobicContact CD1-CG2 4.33Å; L886-T903 CarbonylContact C-O 3.54Å; L886-T903 VanDerWaalsContact CA-O 3.28Å; L886-T903 WeakPolarHBondContact CA-O 3.41Å; I887-T903 HydrophobicContact CD1-CG2 4.46Å; I887-T903 HydrophobicContact CG1-CG2 4.41Å; I887-T903 WeakPolarHBondContact CG1-O 3.5Å; I887-T903 PolarHBondContact N-O 3.11Å; I887-T903 PolarHBondContact O-N 3.45Å; T903-V905 HydrophobicContact CG2-CG1 4.13Å
904	E	96.3	Very high	87.3	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.6	167.7	-179.5	-173	-131	0	0	112.1	R753 K832 F881 H882 Y883 W885 L886	R753-E904 HydrophobicContact CB-CB 3.81Å; R753-E904 WeakPolarHBondContact CD-OE2 3.38Å; R753-E904 PolarHBondContact O-N 3.42Å; R753-E904 VanDerWaalsContact O-N 3.17Å; K832-E904 VanDerWaalsContact CD-O 3.32Å; K832-E904 WeakPolarHBondContact CD-O 3.26Å; K832-E904 WeakPolarHBondContact CE-O 3.4Å; F881-E904 VanDerWaalsContact CA-OE1 3.3Å; F881-E904 WeakPolarHBondContact CA-OE1 3.38Å; F881-E904 WeakPolarHBondContact CB-OE1 3.31Å; F881-E904 HydrophobicContact CD1-CG 4.46Å; H882-E904 WeakPolarHBondContact CA-OE1 3.26Å; H882-E904 PolarHBondContact N-OE1 2.76Å; Y883-E904 HydrophobicContact CD2-CG 4.04Å; Y883-E904 PolarHBondContact N-OE1 3.46Å; W885-E904 WeakPolarHBondContact O-CA 3.41Å; L886-E904 HydrophobicContact CD2-CB 4.03Å
905	V	94.7	Very high	88.6	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.6	-179.6	-66.5	0	0	0	0	113.8	K832 C836 Y883 W885 I887 T903 C909 L910	K832-V905 HydrophobicContact CB-CG1 4.48Å; C836-V905 HydrophobicContact CB-CG1 4.36Å; Y883-V905 VanDerWaalsContact CB-O 3.3Å; Y883-V905 WeakPolarHBondContact CB-O 3.39Å; W885-V905 HydrophobicContact CB-CG2 4.15Å; W885-V905 PolarHBondContact O-N 3.23Å; I887-V905 HydrophobicContact CD1-CG1 3.66Å; I887-V905 HydrophobicContact CG1-CG1 3.89Å; I887-V905 HydrophobicContact CG2-CG2 4.02Å; T903-V905 HydrophobicContact CG2-CG1 4.13Å; V905-C909 HydrophobicContact CB-CB 4.47Å; V905-L910 HydrophobicContact CG2-CD1 4.37Å; V905-L910 HydrophobicContact CG2-CD2 4.4Å; V905-L910 HydrophobicContact CG2-CG 4.26Å
906	S	91.5	Very high	90	Very high	7 Å²	7	15.6 Å²	15.6	5%	0.049	9%	0.086	C	C	.	.			trans	-72.6	146	173	173.8	0	0	0	0	111.5	Y908 C909	S906-Y908 PolarHBondContact O-N 2.79Å; S906-Y908 VanDerWaalsContact O-N 3.13Å; S906-Y908 PolarHBondContact OG-N 2.86Å; S906-C909 WeakPolarHBondContact O-CB 3.28Å; S906-C909 PolarHBondContact O-N 3.26Å
907	P	90.9	Very high	91	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-53.4	-29.4	171.1	-24.7	33	0	0	0	113.8	V85 C909 L910 L911 F936 E991	V85-P907 HydrophobicContact CG2-CB 4.3Å; V85-P907 HydrophobicContact CG2-CG 4.05Å; P907-C909 VanDerWaalsContact C-N 3.33Å; P907-C909 PolarHBondContact O-N 3.33Å; P907-L910 PolarHBondContact O-N 3Å; P907-L911 WeakPolarHBondContact O-CB 3.01Å; P907-L911 PolarHBondContact O-N 2.82Å; P907-F936 HydrophobicContact CB-CD1 3.86Å; P907-F936 HydrophobicContact CB-CD2 4.1Å; P907-F936 HydrophobicContact CB-CE1 4.02Å; P907-F936 HydrophobicContact CB-CE2 4.25Å; P907-F936 HydrophobicContact CB-CG 3.91Å; P907-F936 HydrophobicContact CB-CZ 4.22Å; P907-E991 VanDerWaalsContact CD-OE1 3.27Å; P907-E991 WeakPolarHBondContact CD-OE1 3.44Å; P907-E991 WeakPolarHBondContact CG-OE1 3.4Å
908	Y	90.3	Very high	91.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-29.6	177.7	-68.2	-64.9	0	0	0	113.7	V85 M87 S906 L911 F912 I942 L986 T989	V85-Y908 HydrophobicContact CB-CE2 4.39Å; V85-Y908 HydrophobicContact CG1-CD2 3.83Å; V85-Y908 HydrophobicContact CG1-CE1 4.24Å; V85-Y908 HydrophobicContact CG1-CE2 3.1Å; V85-Y908 WeakPolarHBondContact CG1-OH 3.46Å; M87-Y908 PolarHBondContact N-OH 2.85Å; S906-Y908 PolarHBondContact O-N 2.79Å; S906-Y908 VanDerWaalsContact O-N 3.13Å; S906-Y908 PolarHBondContact OG-N 2.86Å; Y908-L911 HydrophobicContact CD1-CD2 4.22Å; Y908-L911 PolarHBondContact O-N 3.36Å; Y908-F912 PolarHBondContact O-N 2.79Å; Y908-I942 HydrophobicContact CE1-CG2 4.14Å; Y908-L986 HydrophobicContact CD1-CD1 4.32Å; Y908-T989 WeakPolarHBondContact CD2-OG1 3.21Å; Y908-T989 WeakPolarHBondContact CE2-OG1 3.44Å
909	C	93.6	Very high	91.8	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.027	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-43.6	173.3	-52.6	0	0	0	0	110.4	A833 C836 V905 S906 P907 F912 F913	A833-C909 HydrophobicContact CB-CB 4.42Å; C836-C909 HydrophobicContact CB-CB 3.98Å; V905-C909 HydrophobicContact CB-CB 4.47Å; S906-C909 WeakPolarHBondContact O-CB 3.28Å; S906-C909 PolarHBondContact O-N 3.26Å; P907-C909 VanDerWaalsContact C-N 3.33Å; P907-C909 PolarHBondContact O-N 3.33Å; C909-F912 PolarHBondContact O-N 3.19Å; C909-F913 WeakPolarHBondContact O-CD2 3.45Å; C909-F913 PolarHBondContact O-N 3.04Å
910	L	93.3	Very high	91.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-36.3	174.8	-61.3	170.8	0	0	0	111.8	Y840 V843 W885 I887 V905 P907 G914 I934	Y840-L910 HydrophobicContact CD2-CD2 4.06Å; Y840-L910 HydrophobicContact CE2-CD2 4.32Å; V843-L910 HydrophobicContact CB-CD2 4.49Å; V843-L910 HydrophobicContact CG1-CD1 4.12Å; V843-L910 HydrophobicContact CG1-CD2 4.07Å; V843-L910 HydrophobicContact CG2-CD2 3.54Å; W885-L910 HydrophobicContact CB-CD1 3.75Å; W885-L910 HydrophobicContact CD2-CD1 3.89Å; W885-L910 HydrophobicContact CE3-CD1 4.27Å; W885-L910 HydrophobicContact CG-CD1 3.63Å; I887-L910 HydrophobicContact CG2-CD2 4.38Å; V905-L910 HydrophobicContact CG2-CD1 4.37Å; V905-L910 HydrophobicContact CG2-CD2 4.4Å; V905-L910 HydrophobicContact CG2-CG 4.26Å; P907-L910 PolarHBondContact O-N 3Å; L910-G914 VanDerWaalsContact O-CA 3.24Å; L910-G914 WeakPolarHBondContact O-CA 3.44Å; L910-G914 PolarHBondContact O-N 3.03Å; L910-I934 HydrophobicContact CB-CG2 4.36Å; L910-I934 HydrophobicContact CD1-CD1 4.47Å; L910-I934 HydrophobicContact CD1-CG2 3.9Å; L910-I934 HydrophobicContact CD2-CD1 4.49Å
911	L	93	Very high	91.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-40.9	176.3	-174.7	57.2	0	0	0	112	P907 Y908 I917 I928 V930 F936 I942 V946 R950	P907-L911 WeakPolarHBondContact O-CB 3.01Å; P907-L911 PolarHBondContact O-N 2.82Å; Y908-L911 HydrophobicContact CD1-CD2 4.22Å; Y908-L911 PolarHBondContact O-N 3.36Å; L911-I917 HydrophobicContact CD1-CD1 3.81Å; L911-I917 HydrophobicContact CD1-CG1 4.02Å; L911-I917 HydrophobicContact CD1-CG2 4.04Å; L911-I928 HydrophobicContact CD1-CG2 3.64Å; L911-I928 HydrophobicContact CD2-CD1 4.14Å; L911-V930 HydrophobicContact CB-CG2 4.5Å; L911-V930 HydrophobicContact CD1-CG2 3.78Å; L911-F936 HydrophobicContact CB-CZ 4Å; L911-F936 HydrophobicContact CD1-CZ 4.18Å; L911-F936 HydrophobicContact CD2-CE2 4.39Å; L911-F936 HydrophobicContact CD2-CZ 4.03Å; L911-F936 HydrophobicContact CG-CZ 4.27Å; L911-I942 HydrophobicContact CD2-CG2 4.04Å; L911-V946 HydrophobicContact CD2-CG2 3.89Å; L911-V946 HydrophobicContact CG-CB 4.41Å; L911-V946 HydrophobicContact CG-CG1 4.21Å; L911-V946 HydrophobicContact CG-CG2 4.04Å; L911-R950 PolarHBondContact O-NH2 3.48Å
912	F	93	Very high	90	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.022	14%	0.135	C	C	.	.	H	α-helix	trans	-77.7	-48.9	179.8	-168.4	-94.5	0	0	0	112.5	Y908 C909 V946 L949 R950 L953 I983 L986 I987	Y908-F912 PolarHBondContact O-N 2.79Å; C909-F912 PolarHBondContact O-N 3.19Å; F912-V946 HydrophobicContact CD2-CG1 4.09Å; F912-L949 HydrophobicContact CE2-CB 3.92Å; F912-R950 HydrophobicContact CE2-CG 4.17Å; F912-R950 HydrophobicContact CZ-CG 4.46Å; F912-R950 VanDerWaalsContact O-CZ 3.31Å; F912-R950 PolarHBondContact O-NE 3.25Å; F912-R950 PolarHBondContact O-NH2 2.93Å; F912-L953 HydrophobicContact CE1-CD2 3.76Å; F912-L953 HydrophobicContact CZ-CD2 3.72Å; F912-I983 HydrophobicContact CD1-CG2 3.99Å; F912-I983 HydrophobicContact CD2-CG2 4.28Å; F912-I983 HydrophobicContact CE1-CD1 4.3Å; F912-I983 HydrophobicContact CE1-CG1 4.43Å; F912-I983 HydrophobicContact CE1-CG2 3.68Å; F912-I983 HydrophobicContact CE2-CB 4.48Å; F912-I983 HydrophobicContact CE2-CD1 4.16Å; F912-I983 HydrophobicContact CE2-CG1 3.75Å; F912-I983 HydrophobicContact CE2-CG2 4.01Å; F912-I983 HydrophobicContact CG-CG2 4.28Å; F912-I983 HydrophobicContact CZ-CB 4.33Å; F912-I983 HydrophobicContact CZ-CD1 3.56Å; F912-I983 HydrophobicContact CZ-CG1 3.63Å; F912-I983 HydrophobicContact CZ-CG2 3.7Å; F912-L986 HydrophobicContact CB-CD2 4.28Å; F912-L986 HydrophobicContact CD2-CD2 3.79Å; F912-L986 HydrophobicContact CG-CD2 4.38Å; F912-I987 HydrophobicContact CB-CG2 4.35Å
913	F	92.1	Very high	88.4	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.057	16%	0.164	C	C	.	.	H	α-helix	trans	-95.1	-8.8	-172.5	-65.6	-69.9	0	0	0	116.1	F708 F712 A833 A837 C909	F708-F913 HydrophobicContact CD1-CE1 4.04Å; F708-F913 HydrophobicContact CD2-CE1 4.12Å; F708-F913 AromaticContact CE1-CE1 3.91Å; F708-F913 HydrophobicContact CE1-CE1 3.91Å; F708-F913 HydrophobicContact CE2-CD1 4.31Å; F708-F913 AromaticContact CE2-CE1 4Å; F708-F913 HydrophobicContact CE2-CE1 4Å; F708-F913 HydrophobicContact CG-CE1 4.16Å; F708-F913 HydrophobicContact CZ-CD1 4.45Å; F708-F913 AromaticContact CZ-CE1 3.9Å; F708-F913 HydrophobicContact CZ-CE1 3.9Å; F712-F913 HydrophobicContact CE2-CE1 4.37Å; F712-F913 AromaticContact CE2-CZ 3.7Å; F712-F913 HydrophobicContact CE2-CZ 3.7Å; F712-F913 AromaticContact CZ-CZ 3.98Å; F712-F913 HydrophobicContact CZ-CZ 3.98Å; A833-F913 HydrophobicContact CB-CE2 4.05Å; A837-F913 HydrophobicContact CB-CB 4.29Å; A837-F913 HydrophobicContact CB-CD1 3.4Å; A837-F913 VanDerWaalsContact CB-CD1 3.4Å; A837-F913 HydrophobicContact CB-CD2 4.09Å; A837-F913 HydrophobicContact CB-CE1 3.67Å; A837-F913 HydrophobicContact CB-CE2 4.33Å; A837-F913 HydrophobicContact CB-CG 3.65Å; A837-F913 HydrophobicContact CB-CZ 4.14Å; C909-F913 WeakPolarHBondContact O-CD2 3.45Å; C909-F913 PolarHBondContact O-N 3.04Å
914	G	90.1	Very high	86.8	Confident	6 Å²	6	39.4 Å²	39.4	6%	0.062	21%	0.208	C	C	.	.	S	Bend	trans	-80.4	-171.8	-179.4	0	0	0	0	0	114.6	Y840 L910 R950	Y840-G914 VanDerWaalsContact CE1-CA 3.42Å; Y840-G914 VanDerWaalsContact CE2-CA 3.43Å; L910-G914 VanDerWaalsContact O-CA 3.24Å; L910-G914 WeakPolarHBondContact O-CA 3.44Å; L910-G914 PolarHBondContact O-N 3.03Å; G914-R950 PolarHBondContact O-NH1 3.45Å; G914-R950 VanDerWaalsContact O-NH1 3.11Å; G914-R950 PolarHBondContact O-NH2 2.81Å
915	G	88.4	Confident	85.6	Confident	16 Å²	16	44 Å²	44	17%	0.165	23%	0.23	C	C	.	.	S	Bend	trans	-79.1	-135.7	-176.9	0	0	0	0	0	115	Y840 D931 R950	Y840-G915 VanDerWaalsContact CE1-N 3.3Å; Y840-G915 VanDerWaalsContact CZ-N 3.31Å; Y840-G915 PolarHBondContact OH-N 2.77Å; G915-D931 WeakPolarHBondContact CA-OD1 3.27Å; G915-R950 PolarHBondContact O-NH1 2.86Å; G915-R950 PolarHBondContact O-NH2 3.42Å
916	D	88.3	Confident	84.9	Confident	104 Å²	104	47.2 Å²	47.2	56%	0.556	25%	0.245	S	C	*	.			trans	-71.4	131.1	-167	-91.1	-29	0	0	0	111.7	K682 V930 D931	K682-D916 IonicContact NZ-OD1 2.66Å; K682-D916 IonicContact NZ-OD2 3.66Å; K682-D916 PolarHBondContact NZ-OD2 3.39Å; D916-V930 WeakPolarHBondContact O-CA 3.2Å; D916-D931 PolarHBondContact N-OD1 3.2Å; D916-D931 PolarHBondContact O-N 3.02Å
917	I	92.4	Very high	84.7	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.6	-177.2	-56.7	173.4	0	0	0	110.6	L911 I928 A943 V946 K947	L911-I917 HydrophobicContact CD1-CD1 3.81Å; L911-I917 HydrophobicContact CD1-CG1 4.02Å; L911-I917 HydrophobicContact CD1-CG2 4.04Å; I917-I928 HydrophobicContact CG2-CG2 3.86Å; I917-A943 HydrophobicContact CG2-CB 3.86Å; I917-V946 HydrophobicContact CD1-CB 4.23Å; I917-V946 HydrophobicContact CD1-CG1 3.63Å; I917-K947 HydrophobicContact CD1-CG 4.33Å; I917-K947 VanDerWaalsContact O-CE 3.25Å; I917-K947 WeakPolarHBondContact O-CE 3.26Å; I917-K947 PolarHBondContact O-NZ 3.28Å
918	S	91.3	Very high	84.6	Confident	39 Å²	39	46.9 Å²	46.9	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.3	173.3	66.1	0	0	0	0	112	A929	S918-A929 PolarHBondContact N-O 2.99Å; S918-A929 PolarHBondContact O-N 3.27Å; S918-A929 PolarHBondContact OG-O 3.4Å
919	I	90.2	Very high	84.6	Confident	59 Å²	59	46.9 Å²	46.9	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.4	177.6	-58.8	163.4	0	0	0	107.2	A940 A943	I919-A940 HydrophobicContact CD1-CB 4.23Å; I919-A940 HydrophobicContact CG2-CB 3.87Å; I919-A943 HydrophobicContact CD1-CB 3.84Å; I919-A943 HydrophobicContact CG1-CB 3.66Å
920	Q	84.6	Confident	84.5	Confident	76 Å²	76	46.7 Å²	46.7	36%	0.355	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.6	179.5	-60	176.8	19.2	0	0	109.2	T927	Q920-T927 PolarHBondContact N-O 3.17Å; Q920-T927 PolarHBondContact O-N 3.29Å; Q920-T927 PolarHBondContact O-OG1 3.48Å
921	K	77.7	Confident	84.3	Confident	157 Å²	157	48 Å²	48	68%	0.683	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.4	171.4	-67.6	-164.3	173.8	-157.1	0	108.6	E926	K921-E926 WeakPolarHBondContact CE-OE1 3.32Å; K921-E926 IonicContact NZ-OE1 2.87Å; K921-E926 PolarHBondContact NZ-OE1 3Å
922	D	64.5	Low	84	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.193	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	101.8	-174.4	-164.2	23.4	0	0	0	109.5	R79 R82 Q925	R79-D922 IonicContact CZ-OD1 3.16Å; R79-D922 VanDerWaalsContact CZ-OD1 3.31Å; R79-D922 IonicContact CZ-OD2 2.72Å; R79-D922 IonicContact NE-OD1 2.69Å; R79-D922 PolarHBondContact NE-OD1 3.28Å; R79-D922 IonicContact NE-OD2 3.65Å; R79-D922 PolarHBondContact NE-OD2 3.25Å; R79-D922 IonicContact NH2-OD1 2.61Å; R79-D922 PolarHBondContact NH2-OD1 3.17Å; R79-D922 IonicContact NH2-OD2 3.4Å; R82-D922 IonicContact CZ-OD2 3.22Å; R82-D922 IonicContact NH1-OD2 3.62Å; R82-D922 PolarHBondContact NH1-OD2 3.34Å; R82-D922 IonicContact NH2-OD2 2.83Å; R82-D922 PolarHBondContact NH2-OD2 2.83Å; D922-Q925 PolarHBondContact N-O 2.75Å; D922-Q925 PolarHBondContact O-N 2.86Å
923	N	62.1	Low	83.9	Confident	116 Å²	116	58.2 Å²	58.2	62%	0.62	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	64.1	-174.7	-70	27	0	0	0	113.1	R79 Q925	R79-N923 PolarHBondContact NH1-ND2 3.13Å; R79-N923 VanDerWaalsContact NH1-ND2 3.15Å; R79-N923 PolarHBondContact NH2-OD1 3.35Å; R79-N923 VanDerWaalsContact NH2-OD1 3.13Å; N923-Q925 PolarHBondContact O-N 3.25Å
924	D	65.1	Low	83.8	Confident	174 Å²	174	57.6 Å²	57.6	93%	0.93	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	3.1	178.2	-51.5	-42.5	0	0	0	116.7
925	Q	70.1	Confident	83.7	Confident	98 Å²	98	58.4 Å²	58.4	46%	0.458	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.2	171.4	-62.6	-172.8	-40.2	0	0	111.1	D922 N923	D922-Q925 PolarHBondContact N-O 2.75Å; D922-Q925 PolarHBondContact O-N 2.86Å; N923-Q925 PolarHBondContact O-N 3.25Å
926	E	81.6	Confident	83.6	Confident	67 Å²	67	57.7 Å²	57.7	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.7	172.7	-59.2	-164	145.7	0	0	110	K921 S938 A940	K921-E926 WeakPolarHBondContact CE-OE1 3.32Å; K921-E926 IonicContact NZ-OE1 2.87Å; K921-E926 PolarHBondContact NZ-OE1 3Å; E926-S938 PolarHBondContact O-N 2.88Å; E926-A940 VanDerWaalsContact OE2-CB 3.27Å; E926-A940 WeakPolarHBondContact OE2-CB 3.49Å; E926-A940 PolarHBondContact OE2-N 3.44Å
927	T	85.6	Confident	83.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.2	178.1	57.4	0	0	0	0	110.8	Q920 F936 Q937	Q920-T927 PolarHBondContact N-O 3.17Å; Q920-T927 PolarHBondContact O-N 3.29Å; Q920-T927 PolarHBondContact O-OG1 3.48Å; T927-F936 WeakPolarHBondContact CA-O 3.3Å; T927-F936 WeakPolarHBondContact CB-O 3.34Å; T927-Q937 HydrophobicContact CG2-CB 4.39Å; T927-Q937 HydrophobicContact CG2-CG 4.1Å
928	I	89.8	Confident	82.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.3	173	-55.1	177.8	0	0	0	107.3	L911 I917 F936 S938 I942 A943	L911-I928 HydrophobicContact CD1-CG2 3.64Å; L911-I928 HydrophobicContact CD2-CD1 4.14Å; I917-I928 HydrophobicContact CG2-CG2 3.86Å; I928-F936 HydrophobicContact CB-CE2 4.08Å; I928-F936 HydrophobicContact CB-CZ 4.05Å; I928-F936 HydrophobicContact CD1-CE2 4.35Å; I928-F936 HydrophobicContact CG2-CZ 4.16Å; I928-F936 PolarHBondContact N-O 3.39Å; I928-F936 PolarHBondContact O-N 3.05Å; I928-F936 VanDerWaalsContact O-N 3.11Å; I928-S938 WeakPolarHBondContact CD1-OG 3.43Å; I928-I942 HydrophobicContact CD1-CB 4.21Å; I928-I942 HydrophobicContact CD1-CG2 4.49Å; I928-A943 HydrophobicContact CD1-CB 3.88Å; I928-A943 HydrophobicContact CG1-CB 4.16Å; I928-A943 HydrophobicContact CG2-CB 4.37Å
929	A	90.2	Very high	82.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123	173.9	0	0	0	0	0	110.1	S918 I934 V935	S918-A929 PolarHBondContact N-O 2.99Å; S918-A929 PolarHBondContact O-N 3.27Å; S918-A929 PolarHBondContact OG-O 3.4Å; A929-I934 WeakPolarHBondContact CA-O 2.97Å; A929-V935 HydrophobicContact CB-CG2 3.9Å
930	V	90.9	Very high	82.2	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.4	171.4	-172.2	0	0	0	0	107.8	L911 D916 E932 I934 F936	L911-V930 HydrophobicContact CB-CG2 4.5Å; L911-V930 HydrophobicContact CD1-CG2 3.78Å; D916-V930 WeakPolarHBondContact O-CA 3.2Å; V930-E932 PolarHBondContact O-N 3.04Å; V930-E932 VanDerWaalsContact O-N 3.12Å; V930-I934 HydrophobicContact CB-CB 4.12Å; V930-I934 PolarHBondContact N-O 2.97Å; V930-I934 WeakPolarHBondContact O-CB 3.41Å; V930-I934 PolarHBondContact O-N 2.93Å; V930-F936 HydrophobicContact CG2-CE1 4.31Å
931	D	88.8	Confident	82.3	Confident	28 Å²	28	51.9 Å²	51.9	15%	0.15	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	31.2	-176.5	-90.9	25.8	0	0	0	113.7	Y840 K862 G915 D916 W933	Y840-D931 PolarHBondContact OH-OD2 3.31Å; K862-D931 IonicContact NZ-OD2 3.89Å; K862-D931 PolarHBondContact NZ-OD2 3.44Å; G915-D931 WeakPolarHBondContact CA-OD1 3.27Å; D916-D931 PolarHBondContact N-OD1 3.2Å; D916-D931 PolarHBondContact O-N 3.02Å; D931-W933 PolarHBondContact O-N 3.35Å
932	E	88.1	Confident	82.7	Confident	157 Å²	157	44.4 Å²	44.4	73%	0.734	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	-30.2	-174.9	-51	-169.6	141.6	0	0	116.4	V930 V935	V930-E932 PolarHBondContact O-N 3.04Å; V930-E932 VanDerWaalsContact O-N 3.12Å; E932-V935 WeakPolarHBondContact O-CG2 2.88Å
933	W	89.8	Confident	83.8	Confident	62 Å²	62	42.7 Å²	42.7	24%	0.235	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-23.6	-171.8	85.3	-74.8	0	0	0	114.6	V843 K862 W885 D931 V935	V843-W933 HydrophobicContact CB-CH2 4.35Å; V843-W933 HydrophobicContact CB-CZ2 3.93Å; V843-W933 HydrophobicContact CG1-CH2 4.21Å; V843-W933 HydrophobicContact CG1-CZ2 4.08Å; V843-W933 WeakPolarHBondContact O-CH2 3.19Å; K862-W933 HydrophobicContact CB-CD2 3.99Å; K862-W933 HydrophobicContact CB-CE3 4.44Å; K862-W933 HydrophobicContact CB-CG 4.44Å; K862-W933 HydrophobicContact CB-CH2 4.33Å; K862-W933 HydrophobicContact CB-CZ2 3.86Å; K862-W933 HydrophobicContact CD-CG 4.34Å; K862-W933 HydrophobicContact CG-CD2 4.14Å; K862-W933 HydrophobicContact CG-CG 4.05Å; W885-W933 HydrophobicContact CZ3-CH2 4.24Å; W885-W933 HydrophobicContact CZ3-CZ3 4.07Å; D931-W933 PolarHBondContact O-N 3.35Å; W933-V935 PolarHBondContact O-N 3.23Å
934	I	91.1	Very high	85.1	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	84.6	176	-54.9	172.4	0	0	0	107.9	Y840 V843 W885 L910 A929 V930 F936	Y840-I934 HydrophobicContact CE2-CD1 3.93Å; V843-I934 HydrophobicContact CB-CD1 4.46Å; V843-I934 HydrophobicContact CG1-CD1 4.12Å; V843-I934 HydrophobicContact CG2-CD1 4.37Å; W885-I934 HydrophobicContact CD2-CG2 4.34Å; W885-I934 HydrophobicContact CE3-CG2 4.39Å; W885-I934 HydrophobicContact CH2-CB 4.1Å; W885-I934 HydrophobicContact CH2-CG1 4.28Å; W885-I934 HydrophobicContact CH2-CG2 3.83Å; W885-I934 HydrophobicContact CZ2-CB 4.45Å; W885-I934 HydrophobicContact CZ2-CG2 3.75Å; W885-I934 HydrophobicContact CZ3-CB 4.4Å; W885-I934 HydrophobicContact CZ3-CG1 4.11Å; W885-I934 HydrophobicContact CZ3-CG2 4.13Å; L910-I934 HydrophobicContact CB-CG2 4.36Å; L910-I934 HydrophobicContact CD1-CD1 4.47Å; L910-I934 HydrophobicContact CD1-CG2 3.9Å; L910-I934 HydrophobicContact CD2-CD1 4.49Å; A929-I934 WeakPolarHBondContact CA-O 2.97Å; V930-I934 HydrophobicContact CB-CB 4.12Å; V930-I934 PolarHBondContact N-O 2.97Å; V930-I934 WeakPolarHBondContact O-CB 3.41Å; V930-I934 PolarHBondContact O-N 2.93Å; I934-F936 HydrophobicContact CG2-CD1 4.5Å
935	V	88.3	Confident	86.2	Confident	24 Å²	24	34.1 Å²	34.1	15%	0.145	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.3	-174.1	-169.7	0	0	0	0	112	A929 E932 W933	A929-V935 HydrophobicContact CB-CG2 3.9Å; E932-V935 WeakPolarHBondContact O-CG2 2.88Å; W933-V935 PolarHBondContact O-N 3.23Å
936	F	85.4	Confident	87.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.6	173.6	56	-85.9	0	0	0	110.9	A83 V85 P907 L911 T927 I928 V930 I934	A83-F936 HydrophobicContact CB-CB 4.31Å; V85-F936 HydrophobicContact CB-CD2 4.18Å; V85-F936 HydrophobicContact CG2-CB 3.97Å; V85-F936 HydrophobicContact CG2-CD2 3.63Å; V85-F936 HydrophobicContact CG2-CG 4.12Å; P907-F936 HydrophobicContact CB-CD1 3.86Å; P907-F936 HydrophobicContact CB-CD2 4.1Å; P907-F936 HydrophobicContact CB-CE1 4.02Å; P907-F936 HydrophobicContact CB-CE2 4.25Å; P907-F936 HydrophobicContact CB-CG 3.91Å; P907-F936 HydrophobicContact CB-CZ 4.22Å; L911-F936 HydrophobicContact CB-CZ 4Å; L911-F936 HydrophobicContact CD1-CZ 4.18Å; L911-F936 HydrophobicContact CD2-CE2 4.39Å; L911-F936 HydrophobicContact CD2-CZ 4.03Å; L911-F936 HydrophobicContact CG-CZ 4.27Å; T927-F936 WeakPolarHBondContact CA-O 3.3Å; T927-F936 WeakPolarHBondContact CB-O 3.34Å; I928-F936 HydrophobicContact CB-CE2 4.08Å; I928-F936 HydrophobicContact CB-CZ 4.05Å; I928-F936 HydrophobicContact CD1-CE2 4.35Å; I928-F936 HydrophobicContact CG2-CZ 4.16Å; I928-F936 PolarHBondContact N-O 3.39Å; I928-F936 PolarHBondContact O-N 3.05Å; I928-F936 VanDerWaalsContact O-N 3.11Å; V930-F936 HydrophobicContact CG2-CE1 4.31Å; I934-F936 HydrophobicContact CG2-CD1 4.5Å
937	Q	82.4	Confident	87.6	Confident	20 Å²	20	31 Å²	31	9%	0.093	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.9	177.7	-41.4	-162.4	-18.5	0	0	109.6	R82 A83 V84 V85 T927	R82-Q937 HydrophobicContact CB-CG 4.08Å; A83-Q937 PolarHBondContact O-N 3.38Å; V84-Q937 HydrophobicContact CG1-CB 4.43Å; V84-Q937 HydrophobicContact CG2-CG 4.3Å; V85-Q937 WeakPolarHBondContact CA-O 3.29Å; V85-Q937 WeakPolarHBondContact CB-O 3.25Å; V85-Q937 PolarHBondContact N-O 3.21Å; T927-Q937 HydrophobicContact CG2-CB 4.39Å; T927-Q937 HydrophobicContact CG2-CG 4.1Å
938	S	82.4	Confident	87.8	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	16%	0.162	C	C	.	.			trans	-167	144.1	178.3	170.7	0	0	0	0	108.9	V85 E926 I928	V85-S938 WeakPolarHBondContact O-CA 3.43Å; E926-S938 PolarHBondContact O-N 2.88Å; I928-S938 WeakPolarHBondContact CD1-OG 3.43Å
939	P	83.8	Confident	87.9	Confident	20 Å²	20	35.1 Å²	35.1	13%	0.13	16%	0.162	C	C	.	.			trans	-56.3	141.3	179	-26.3	35.9	0	0	0	113.2	R941 I942	P939-R941 VanDerWaalsContact C-N 3.25Å; P939-R941 HydrophobicContact CB-CG 3.8Å; P939-R941 PolarHBondContact O-N 3.43Å; P939-I942 HydrophobicContact CB-CG1 4.27Å; P939-I942 WeakPolarHBondContact O-CB 3.41Å; P939-I942 WeakPolarHBondContact O-CG1 3.32Å; P939-I942 PolarHBondContact O-N 3.48Å
940	A	85	Confident	88	Confident	13 Å²	13	37.8 Å²	37.8	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-35.4	-177	0	0	0	0	0	113.2	I919 E926 I942 A943 H944	I919-A940 HydrophobicContact CD1-CB 4.23Å; I919-A940 HydrophobicContact CG2-CB 3.87Å; E926-A940 VanDerWaalsContact OE2-CB 3.27Å; E926-A940 WeakPolarHBondContact OE2-CB 3.49Å; E926-A940 PolarHBondContact OE2-N 3.44Å; A940-I942 PolarHBondContact O-N 2.82Å; A940-A943 WeakPolarHBondContact O-CB 3.48Å; A940-A943 PolarHBondContact O-N 3.49Å; A940-H944 PolarHBondContact O-CD2 2.84Å; A940-H944 VanDerWaalsContact O-CD2 3.23Å; A940-H944 PolarHBondContact O-N 3Å
941	R	84.9	Confident	88	Confident	115 Å²	115	44.1 Å²	44.1	43%	0.434	20%	0.199	S	C	.	.	H	α-helix	trans	-51.9	-34.5	173.7	61.7	-167.9	-158.7	-138.9	12.3	113.7	E92 P939 A943 H944 L945	E92-R941 WeakPolarHBondContact OE1-CD 3.14Å; E92-R941 WeakPolarHBondContact OE1-CG 3.47Å; E92-R941 IonicContact OE1-CZ 3.31Å; E92-R941 IonicContact OE1-NE 3.27Å; E92-R941 PolarHBondContact OE1-NE 3.41Å; E92-R941 IonicContact OE1-NH2 3.58Å; E92-R941 IonicContact OE2-CZ 2.91Å; E92-R941 VanDerWaalsContact OE2-CZ 3.24Å; E92-R941 IonicContact OE2-NE 2.68Å; E92-R941 PolarHBondContact OE2-NE 3.33Å; E92-R941 IonicContact OE2-NH2 2.73Å; E92-R941 PolarHBondContact OE2-NH2 3.46Å; P939-R941 VanDerWaalsContact C-N 3.25Å; P939-R941 HydrophobicContact CB-CG 3.8Å; P939-R941 PolarHBondContact O-N 3.43Å; R941-A943 PolarHBondContact O-N 3.17Å; R941-H944 PolarHBondContact O-N 2.96Å; R941-L945 PolarHBondContact O-N 3.37Å
942	I	86.4	Confident	88.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-37.6	176	-52.4	-61.9	0	0	0	111.2	M87 E92 Y908 L911 I928 P939 A940 H944 L945 V946 L986	M87-I942 HydrophobicContact CB-CD1 4Å; M87-I942 HydrophobicContact CE-CD1 3.44Å; M87-I942 VanDerWaalsContact CE-CD1 3.44Å; M87-I942 HydrophobicContact SD-CD1 4.42Å; E92-I942 HydrophobicContact CG-CD1 4.42Å; Y908-I942 HydrophobicContact CE1-CG2 4.14Å; L911-I942 HydrophobicContact CD2-CG2 4.04Å; I928-I942 HydrophobicContact CD1-CB 4.21Å; I928-I942 HydrophobicContact CD1-CG2 4.49Å; P939-I942 HydrophobicContact CB-CG1 4.27Å; P939-I942 WeakPolarHBondContact O-CB 3.41Å; P939-I942 WeakPolarHBondContact O-CG1 3.32Å; P939-I942 PolarHBondContact O-N 3.48Å; A940-I942 PolarHBondContact O-N 2.82Å; I942-H944 VanDerWaalsContact C-N 3.3Å; I942-H944 PolarHBondContact O-N 3.06Å; I942-L945 PolarHBondContact O-N 3.08Å; I942-V946 HydrophobicContact CG2-CG2 4.49Å; I942-V946 WeakPolarHBondContact O-CG2 3.33Å; I942-V946 PolarHBondContact O-N 3.12Å; I942-L986 HydrophobicContact CG2-CD1 4.5Å
943	A	87.4	Confident	88.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-32.4	176	0	0	0	0	0	112.4	I917 I919 I928 A940 R941 K947	I917-A943 HydrophobicContact CG2-CB 3.86Å; I919-A943 HydrophobicContact CD1-CB 3.84Å; I919-A943 HydrophobicContact CG1-CB 3.66Å; I928-A943 HydrophobicContact CD1-CB 3.88Å; I928-A943 HydrophobicContact CG1-CB 4.16Å; I928-A943 HydrophobicContact CG2-CB 4.37Å; A940-A943 WeakPolarHBondContact O-CB 3.48Å; A940-A943 PolarHBondContact O-N 3.49Å; R941-A943 PolarHBondContact O-N 3.17Å; A943-K947 VanDerWaalsContact O-CG 3.3Å; A943-K947 WeakPolarHBondContact O-CG 3.37Å; A943-K947 PolarHBondContact O-N 3.11Å
944	H	89.1	Confident	88.2	Confident	102 Å²	102	35.8 Å²	35.8	47%	0.472	16%	0.164	S	C	.	.	H	α-helix	trans	-69.7	-49.7	173	-67.9	-76.3	0	0	0	111.1	A940 R941 I942 V946 K947 E948	A940-H944 PolarHBondContact O-CD2 2.84Å; A940-H944 VanDerWaalsContact O-CD2 3.23Å; A940-H944 PolarHBondContact O-N 3Å; R941-H944 PolarHBondContact O-N 2.96Å; I942-H944 VanDerWaalsContact C-N 3.3Å; I942-H944 PolarHBondContact O-N 3.06Å; H944-V946 VanDerWaalsContact C-N 3.29Å; H944-V946 PolarHBondContact O-N 2.99Å; H944-K947 WeakPolarHBondContact O-CB 3.17Å; H944-K947 PolarHBondContact O-N 2.95Å; H944-E948 PolarHBondContact O-N 3.06Å
945	L	89.3	Confident	88.1	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-55.3	-41.5	177.4	-173.9	61.4	0	0	0	112.8	M87 I95 V96 R941 I942 E948 L949	M87-L945 HydrophobicContact CE-CD2 3.8Å; I95-L945 HydrophobicContact CB-CD2 4.37Å; I95-L945 HydrophobicContact CG2-CD1 3.99Å; I95-L945 HydrophobicContact CG2-CD2 3.83Å; I95-L945 HydrophobicContact CG2-CG 4.12Å; V96-L945 HydrophobicContact CG2-CD1 3.95Å; R941-L945 PolarHBondContact O-N 3.37Å; I942-L945 PolarHBondContact O-N 3.08Å; L945-E948 PolarHBondContact O-N 2.8Å; L945-L949 HydrophobicContact CG-CD1 4.23Å; L945-L949 WeakPolarHBondContact O-CG 3.32Å; L945-L949 PolarHBondContact O-N 2.92Å
946	V	90.6	Very high	88.3	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.6	-36.3	176.2	175	0	0	0	0	112.5	L911 F912 I917 I942 H944 E948 L949 R950 L986	L911-V946 HydrophobicContact CD2-CG2 3.89Å; L911-V946 HydrophobicContact CG-CB 4.41Å; L911-V946 HydrophobicContact CG-CG1 4.21Å; L911-V946 HydrophobicContact CG-CG2 4.04Å; F912-V946 HydrophobicContact CD2-CG1 4.09Å; I917-V946 HydrophobicContact CD1-CB 4.23Å; I917-V946 HydrophobicContact CD1-CG1 3.63Å; I942-V946 HydrophobicContact CG2-CG2 4.49Å; I942-V946 WeakPolarHBondContact O-CG2 3.33Å; I942-V946 PolarHBondContact O-N 3.12Å; H944-V946 VanDerWaalsContact C-N 3.29Å; H944-V946 PolarHBondContact O-N 2.99Å; V946-E948 VanDerWaalsContact C-N 3.31Å; V946-E948 PolarHBondContact O-N 2.76Å; V946-L949 PolarHBondContact O-N 3.18Å; V946-R950 HydrophobicContact CG1-CG 4.38Å; V946-R950 WeakPolarHBondContact O-CB 3.36Å; V946-R950 WeakPolarHBondContact O-CG 3.29Å; V946-R950 PolarHBondContact O-N 2.84Å; V946-L986 HydrophobicContact CG2-CD1 4.12Å; V946-L986 HydrophobicContact CG2-CD2 3.62Å
947	K	90.5	Very high	88.5	Confident	98 Å²	98	37 Å²	37	43%	0.426	17%	0.17	S	C	.	.	H	α-helix	trans	-63.8	-38.5	175.3	-75.2	175.1	-179.1	-171.1	0	111.6	I917 A943 H944 K951	I917-K947 HydrophobicContact CD1-CG 4.33Å; I917-K947 VanDerWaalsContact O-CE 3.25Å; I917-K947 WeakPolarHBondContact O-CE 3.26Å; I917-K947 PolarHBondContact O-NZ 3.28Å; A943-K947 VanDerWaalsContact O-CG 3.3Å; A943-K947 WeakPolarHBondContact O-CG 3.37Å; A943-K947 PolarHBondContact O-N 3.11Å; H944-K947 WeakPolarHBondContact O-CB 3.17Å; H944-K947 PolarHBondContact O-N 2.95Å; K947-K951 PolarHBondContact O-N 3.46Å
948	E	90.7	Very high	88.7	Confident	88 Å²	88	39.8 Å²	39.8	41%	0.411	18%	0.182	S	C	.	.	H	α-helix	trans	-68.5	-48.5	175.4	-69.7	168.6	174.7	0	0	111.5	L99 H944 L945 V946 R950 K951 E952	L99-E948 HydrophobicContact CD1-CB 4.49Å; L99-E948 HydrophobicContact CD2-CB 4.08Å; L99-E948 WeakPolarHBondContact CD2-OE2 3.46Å; H944-E948 PolarHBondContact O-N 3.06Å; L945-E948 PolarHBondContact O-N 2.8Å; V946-E948 VanDerWaalsContact C-N 3.31Å; V946-E948 PolarHBondContact O-N 2.76Å; E948-R950 VanDerWaalsContact C-N 3.31Å; E948-R950 PolarHBondContact O-N 2.79Å; E948-K951 WeakPolarHBondContact O-CB 3.44Å; E948-K951 PolarHBondContact O-N 3.18Å; E948-E952 PolarHBondContact O-N 3.03Å
949	L	91.6	Very high	89	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-36	177.2	-71.7	169.1	0	0	0	113.3	I95 L99 F912 L945 V946 L953 A982 I983 L986	I95-L949 HydrophobicContact CG2-CD1 3.99Å; L99-L949 HydrophobicContact CD1-CD2 3.66Å; L99-L949 HydrophobicContact CD1-CG 4.2Å; F912-L949 HydrophobicContact CE2-CB 3.92Å; L945-L949 HydrophobicContact CG-CD1 4.23Å; L945-L949 WeakPolarHBondContact O-CG 3.32Å; L945-L949 PolarHBondContact O-N 2.92Å; V946-L949 PolarHBondContact O-N 3.18Å; L949-L953 WeakPolarHBondContact O-CB 3.25Å; L949-L953 PolarHBondContact O-N 3.24Å; L949-A982 HydrophobicContact CD2-CB 3.77Å; L949-I983 HydrophobicContact CB-CG1 4.37Å; L949-I983 HydrophobicContact CD2-CG1 4.36Å; L949-L986 HydrophobicContact CD1-CD2 4.24Å
950	R	91.9	Very high	89.2	Confident	55 Å²	55	42.5 Å²	42.5	21%	0.208	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-44.6	172.2	-77.5	-179.6	179.5	-163	6.6	111.6	L911 F912 G914 G915 V946 E948 L953 D954	L911-R950 PolarHBondContact O-NH2 3.48Å; F912-R950 HydrophobicContact CE2-CG 4.17Å; F912-R950 HydrophobicContact CZ-CG 4.46Å; F912-R950 VanDerWaalsContact O-CZ 3.31Å; F912-R950 PolarHBondContact O-NE 3.25Å; F912-R950 PolarHBondContact O-NH2 2.93Å; G914-R950 PolarHBondContact O-NH1 3.45Å; G914-R950 VanDerWaalsContact O-NH1 3.11Å; G914-R950 PolarHBondContact O-NH2 2.81Å; G915-R950 PolarHBondContact O-NH1 2.86Å; G915-R950 PolarHBondContact O-NH2 3.42Å; V946-R950 HydrophobicContact CG1-CG 4.38Å; V946-R950 WeakPolarHBondContact O-CB 3.36Å; V946-R950 WeakPolarHBondContact O-CG 3.29Å; V946-R950 PolarHBondContact O-N 2.84Å; E948-R950 VanDerWaalsContact C-N 3.31Å; E948-R950 PolarHBondContact O-N 2.79Å; R950-L953 WeakPolarHBondContact O-CB 3.38Å; R950-L953 PolarHBondContact O-N 2.91Å; R950-D954 PolarHBondContact O-N 2.91Å
951	K	90.3	Very high	89	Confident	133 Å²	133	43.4 Å²	43.4	58%	0.578	20%	0.196	S	C	*	.	H	α-helix	trans	-62.9	-44	177.7	-174.8	-168.2	172.1	-160.5	0	111.8	K947 E948 L953 D954 I955	K947-K951 PolarHBondContact O-N 3.46Å; E948-K951 WeakPolarHBondContact O-CB 3.44Å; E948-K951 PolarHBondContact O-N 3.18Å; K951-L953 VanDerWaalsContact C-N 3.31Å; K951-L953 PolarHBondContact O-N 3.29Å; K951-D954 PolarHBondContact O-N 2.73Å; K951-I955 HydrophobicContact CG-CD1 4.33Å; K951-I955 WeakPolarHBondContact O-CG1 3.42Å; K951-I955 PolarHBondContact O-N 3.43Å
952	E	91.8	Very high	88.8	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-34.7	176.5	-63.3	-56.7	144.3	0	0	112.1	L99 E948 I955 L956 R975 V979	L99-E952 HydrophobicContact CD1-CG 4.01Å; E948-E952 PolarHBondContact O-N 3.03Å; E952-I955 PolarHBondContact O-N 2.97Å; E952-L956 WeakPolarHBondContact O-CB 3.48Å; E952-L956 PolarHBondContact O-N 3.27Å; E952-R975 IonicContact OE2-CZ 3.18Å; E952-R975 IonicContact OE2-NH1 3.63Å; E952-R975 PolarHBondContact OE2-NH1 2.93Å; E952-R975 IonicContact OE2-NH2 2.69Å; E952-R975 PolarHBondContact OE2-NH2 2.81Å; E952-V979 HydrophobicContact CB-CG1 4.03Å; E952-V979 HydrophobicContact CB-CG2 4.08Å
953	L	91.6	Very high	88.6	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-41.6	172.4	176.8	63.5	0	0	0	112.5	F708 F912 L949 R950 K951 I955 L956 L957 L980 I983	F708-L953 HydrophobicContact CE1-CD1 4.37Å; F708-L953 HydrophobicContact CE1-CD2 3.85Å; F708-L953 HydrophobicContact CZ-CD2 4Å; F912-L953 HydrophobicContact CE1-CD2 3.76Å; F912-L953 HydrophobicContact CZ-CD2 3.72Å; L949-L953 WeakPolarHBondContact O-CB 3.25Å; L949-L953 PolarHBondContact O-N 3.24Å; R950-L953 WeakPolarHBondContact O-CB 3.38Å; R950-L953 PolarHBondContact O-N 2.91Å; K951-L953 VanDerWaalsContact C-N 3.31Å; K951-L953 PolarHBondContact O-N 3.29Å; L953-I955 VanDerWaalsContact C-N 3.3Å; L953-I955 PolarHBondContact O-N 2.73Å; L953-L956 PolarHBondContact O-N 3.26Å; L953-L957 HydrophobicContact CD1-CD1 4.47Å; L953-L957 HydrophobicContact CD1-CG 4.33Å; L953-L957 HydrophobicContact CG-CD1 4.31Å; L953-L957 WeakPolarHBondContact O-CG 3.34Å; L953-L957 PolarHBondContact O-N 3.1Å; L953-L980 HydrophobicContact CD1-CD2 4.35Å; L953-I983 HydrophobicContact CB-CD1 4.21Å; L953-I983 HydrophobicContact CD1-CD1 4.44Å; L953-I983 HydrophobicContact CD2-CD1 4.36Å
954	D	87.3	Confident	88.5	Confident	54 Å²	54	52.1 Å²	52.1	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-36.9	175.9	-73.8	-31.9	0	0	0	111.5	R950 K951 L957 Q958	R950-D954 PolarHBondContact O-N 2.91Å; K951-D954 PolarHBondContact O-N 2.73Å; D954-L957 PolarHBondContact O-N 2.92Å; D954-Q958 WeakPolarHBondContact O-CB 3.34Å; D954-Q958 PolarHBondContact O-N 3.13Å
955	I	90.1	Very high	88.4	Confident	49 Å²	49	51.7 Å²	51.7	25%	0.251	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-48.9	173.3	-66.4	164.2	0	0	0	110.8	K951 E952 L953 L957 Q958 E959 R975	K951-I955 HydrophobicContact CG-CD1 4.33Å; K951-I955 WeakPolarHBondContact O-CG1 3.42Å; K951-I955 PolarHBondContact O-N 3.43Å; E952-I955 PolarHBondContact O-N 2.97Å; L953-I955 VanDerWaalsContact C-N 3.3Å; L953-I955 PolarHBondContact O-N 2.73Å; I955-L957 VanDerWaalsContact C-N 3.3Å; I955-L957 PolarHBondContact O-N 3.35Å; I955-Q958 WeakPolarHBondContact O-CB 3.49Å; I955-Q958 PolarHBondContact O-N 2.69Å; I955-Q958 VanDerWaalsContact O-N 3.09Å; I955-E959 HydrophobicContact CG2-CG 4.46Å; I955-E959 VanDerWaalsContact CG2-OE1 3.23Å; I955-E959 WeakPolarHBondContact CG2-OE1 3.46Å; I955-E959 WeakPolarHBondContact O-CG 3.36Å; I955-E959 PolarHBondContact O-N 2.81Å; I955-R975 VanDerWaalsContact CG2-NH2 3.31Å
956	L	91.4	Very high	88.4	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-42.4	176.1	-179.7	165.5	0	0	0	111.6	L711 E952 L953 K960 D976 V979 L980	L711-L956 HydrophobicContact CD2-CD2 4.41Å; E952-L956 WeakPolarHBondContact O-CB 3.48Å; E952-L956 PolarHBondContact O-N 3.27Å; L953-L956 PolarHBondContact O-N 3.26Å; L956-K960 HydrophobicContact CD2-CD 4.06Å; L956-K960 WeakPolarHBondContact O-CG 3.04Å; L956-K960 PolarHBondContact O-N 3.28Å; L956-D976 HydrophobicContact CD1-CB 4.09Å; L956-V979 HydrophobicContact CD1-CB 4.45Å; L956-V979 HydrophobicContact CD1-CG1 4.5Å; L956-L980 HydrophobicContact CD1-CD1 4.23Å; L956-L980 HydrophobicContact CD1-CD2 4.49Å; L956-L980 HydrophobicContact CD1-CG 4.12Å
957	L	88.9	Confident	88.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-37.5	176.3	-72.4	175.5	0	0	0	112.2	P688 L689 H692 L711 F810 L953 D954 I955 K960 I961	P688-L957 HydrophobicContact CB-CB 3.96Å; L689-L957 HydrophobicContact CB-CD1 4.1Å; L689-L957 HydrophobicContact CD1-CD1 4.4Å; H692-L957 PolarHBondContact NE2-O 3.21Å; L711-L957 HydrophobicContact CD1-CD2 4.08Å; F810-L957 HydrophobicContact CE1-CD2 4.39Å; L953-L957 HydrophobicContact CD1-CD1 4.47Å; L953-L957 HydrophobicContact CD1-CG 4.33Å; L953-L957 HydrophobicContact CG-CD1 4.31Å; L953-L957 WeakPolarHBondContact O-CG 3.34Å; L953-L957 PolarHBondContact O-N 3.1Å; D954-L957 PolarHBondContact O-N 2.92Å; I955-L957 VanDerWaalsContact C-N 3.3Å; I955-L957 PolarHBondContact O-N 3.35Å; L957-K960 PolarHBondContact O-N 3.37Å; L957-I961 PolarHBondContact O-N 3.23Å
958	Q	88	Confident	88.4	Confident	78 Å²	78	53.9 Å²	53.9	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-46.3	175.4	177.8	61.3	35.3	0	0	111.8	P688 D954 I955 K960 I961	P688-Q958 HydrophobicContact CB-CB 4.13Å; P688-Q958 HydrophobicContact CG-CB 4.04Å; D954-Q958 WeakPolarHBondContact O-CB 3.34Å; D954-Q958 PolarHBondContact O-N 3.13Å; I955-Q958 WeakPolarHBondContact O-CB 3.49Å; I955-Q958 PolarHBondContact O-N 2.69Å; I955-Q958 VanDerWaalsContact O-N 3.09Å; Q958-K960 PolarHBondContact O-N 2.96Å; Q958-I961 WeakPolarHBondContact O-CB 3.32Å; Q958-I961 PolarHBondContact O-N 3.23Å
959	E	88.6	Confident	88.3	Confident	77 Å²	77	51.5 Å²	51.5	36%	0.36	26%	0.26	S	S	.	.	H	α-helix	trans	-56.1	-41.1	175.7	-70.7	164.3	-174.3	0	0	111	I955 I961 E962 S963 R975	I955-E959 HydrophobicContact CG2-CG 4.46Å; I955-E959 VanDerWaalsContact CG2-OE1 3.23Å; I955-E959 WeakPolarHBondContact CG2-OE1 3.46Å; I955-E959 WeakPolarHBondContact O-CG 3.36Å; I955-E959 PolarHBondContact O-N 2.81Å; E959-I961 VanDerWaalsContact C-N 3.27Å; E959-I961 PolarHBondContact O-N 2.84Å; E959-E962 PolarHBondContact O-N 2.88Å; E959-S963 PolarHBondContact O-N 3.47Å; E959-R975 IonicContact OE1-NE 3.92Å; E959-R975 PolarHBondContact OE1-NE 3.5Å; E959-R975 IonicContact OE2-NE 3Å
960	K	86.8	Confident	88.1	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-70.7	-10.1	175.1	-68.1	-172.6	-169.5	-59.4	0	115.1	H692 F810 L956 L957 Q958 P964 H965 D976	H692-K960 PolarHBondContact CE1-O 2.87Å; F810-K960 HydrophobicContact CE1-CD 3.88Å; F810-K960 HydrophobicContact CZ-CB 4.39Å; F810-K960 HydrophobicContact CZ-CD 4.3Å; L956-K960 HydrophobicContact CD2-CD 4.06Å; L956-K960 WeakPolarHBondContact O-CG 3.04Å; L956-K960 PolarHBondContact O-N 3.28Å; L957-K960 PolarHBondContact O-N 3.37Å; Q958-K960 PolarHBondContact O-N 2.96Å; K960-P964 WeakPolarHBondContact O-CA 3.2Å; K960-H965 PolarHBondContact NZ-CE1 3.25Å; K960-H965 PolarHBondContact NZ-ND1 3.44Å; K960-H965 PolarHBondContact NZ-O 3.1Å; K960-D976 WeakPolarHBondContact CE-OD2 3.48Å; K960-D976 IonicContact NZ-OD2 3.64Å; K960-D976 PolarHBondContact NZ-OD2 2.9Å
961	I	81.3	Confident	87.9	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-74.6	-39.4	170.3	-66.2	172.4	0	0	0	110.6	P688 V691 H692 L957 Q958 E959	P688-I961 HydrophobicContact CB-CD1 3.94Å; V691-I961 HydrophobicContact CB-CD1 3.75Å; V691-I961 HydrophobicContact CB-CG1 4.41Å; V691-I961 HydrophobicContact CG1-CD1 3.92Å; V691-I961 HydrophobicContact CG1-CG1 4.16Å; V691-I961 HydrophobicContact CG1-CG2 4.17Å; V691-I961 HydrophobicContact CG2-CD1 4.08Å; H692-I961 VanDerWaalsContact NE2-CG1 3.35Å; H692-I961 WeakPolarHBondContact NE2-CG1 3.39Å; L957-I961 PolarHBondContact O-N 3.23Å; Q958-I961 WeakPolarHBondContact O-CB 3.32Å; Q958-I961 PolarHBondContact O-N 3.23Å; E959-I961 VanDerWaalsContact C-N 3.27Å; E959-I961 PolarHBondContact O-N 2.84Å
962	E	80.6	Confident	87.4	Confident	157 Å²	157	56.9 Å²	56.9	73%	0.734	30%	0.304	S	S	*	.	H	α-helix	trans	-83.7	-40.2	-177	-61.1	-176.1	-163.7	0	0	111.7	E959	E959-E962 PolarHBondContact O-N 2.88Å
963	S	83.4	Confident	86.8	Confident	74 Å²	74	64.2 Å²	64.2	52%	0.517	34%	0.336	S	S	.	.	S	Bend	trans	-129.3	81.7	176.3	-175	0	0	0	0	111	E959 H965	E959-S963 PolarHBondContact O-N 3.47Å; S963-H965 PolarHBondContact O-N 3.42Å; S963-H965 VanDerWaalsContact O-N 3.11Å; S963-H965 PolarHBondContact O-ND1 3.07Å
964	P	83.8	Confident	86.6	Confident	69 Å²	69	64.8 Å²	64.8	45%	0.448	34%	0.341	S	S	.	.			trans	-66.6	111.4	179.7	27	-33.9	0	0	0	110.5	K960	K960-P964 WeakPolarHBondContact O-CA 3.2Å
965	H	87.4	Confident	86.5	Confident	92 Å²	92	63.8 Å²	63.8	43%	0.426	33%	0.333	S	S	.	.			trans	-147.3	143.5	176.9	71.6	-36.8	0	0	0	111.4	G809 K960 S963	G809-H965 CarbonylContact O-C 3.55Å; G809-H965 WeakPolarHBondContact O-CA 3.48Å; G809-H965 PolarHBondContact O-N 2.83Å; K960-H965 PolarHBondContact NZ-CE1 3.25Å; K960-H965 PolarHBondContact NZ-ND1 3.44Å; K960-H965 PolarHBondContact NZ-O 3.1Å; S963-H965 PolarHBondContact O-N 3.42Å; S963-H965 VanDerWaalsContact O-N 3.11Å; S963-H965 PolarHBondContact O-ND1 3.07Å
966	P	90.1	Very high	86.5	Confident	48 Å²	48	62.2 Å²	62.2	31%	0.312	33%	0.325	S	S	.	.			trans	-60.5	155	176.9	-23.1	34.6	0	0	0	111.4	G809 V811 D968	G809-P966 WeakPolarHBondContact O-CD 3.4Å; V811-P966 VanDerWaalsContact C-CG 3.42Å; P966-D968 PolarHBondContact O-N 3.5Å
967	V	90.9	Very high	86.3	Confident	19 Å²	19	62.4 Å²	62.4	12%	0.115	33%	0.326	C	S	.	.			trans	-76.1	119.3	172.5	177.6	0	0	0	0	108.6	L711 W969 D976 L980	L711-V967 HydrophobicContact CD2-CG2 3.9Å; V967-W969 HydrophobicContact CG1-CG 4.32Å; V967-W969 PolarHBondContact O-N 3.28Å; V967-D976 HydrophobicContact CG1-CB 3.96Å; V967-D976 HydrophobicContact CG2-CB 4.32Å; V967-L980 HydrophobicContact CB-CD1 4.37Å; V967-L980 HydrophobicContact CG1-CD1 3.89Å; V967-L980 HydrophobicContact CG2-CD1 3.74Å
968	D	89.5	Confident	86.3	Confident	86 Å²	86	62.8 Å²	62.8	46%	0.46	33%	0.329	S	S	.	.			trans	-79.8	99.2	169.6	-175.3	7.6	0	0	0	110.1	P966 N970 D971	P966-D968 PolarHBondContact O-N 3.5Å; D968-N970 PolarHBondContact O-N 2.88Å; D968-N970 VanDerWaalsContact OD1-CB 3.23Å; D968-N970 WeakPolarHBondContact OD1-CB 3.44Å; D968-N970 PolarHBondContact OD1-N 2.74Å; D968-N970 PolarHBondContact OD1-ND2 2.85Å; D968-D971 PolarHBondContact O-N 3.45Å
969	W	89	Confident	86.5	Confident	37 Å²	37	59.2 Å²	59.2	14%	0.14	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.8	176.4	-79.7	89.2	0	0	0	113.7	L711 C713 I823 V967 L980 I984	L711-W969 VanDerWaalsContact O-CZ2 3.23Å; L711-W969 WeakPolarHBondContact O-CZ2 3.42Å; L711-W969 PolarHBondContact O-NE1 3.04Å; C713-W969 PolarHBondContact SG-NE1 2.91Å; C713-W969 VanDerWaalsContact SG-NE1 3.38Å; I823-W969 HydrophobicContact CD1-CB 3.96Å; I823-W969 HydrophobicContact CD1-CD2 3.97Å; I823-W969 HydrophobicContact CD1-CE3 4.04Å; I823-W969 HydrophobicContact CD1-CG 3.94Å; V967-W969 HydrophobicContact CG1-CG 4.32Å; V967-W969 PolarHBondContact O-N 3.28Å; W969-L980 HydrophobicContact CH2-CB 3.62Å; W969-L980 HydrophobicContact CZ2-CB 3.68Å; W969-L980 HydrophobicContact CZ2-CD1 4.06Å; W969-L980 HydrophobicContact CZ2-CG 4.49Å; W969-I984 HydrophobicContact CH2-CD1 3.54Å; W969-I984 HydrophobicContact CZ2-CD1 4.21Å; W969-I984 HydrophobicContact CZ3-CD1 4.25Å
970	N	86.9	Confident	86.6	Confident	122 Å²	122	55.5 Å²	55.5	65%	0.652	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-31.9	172.9	-53.1	-73.9	0	0	0	111.6	D968 T972	D968-N970 PolarHBondContact O-N 2.88Å; D968-N970 VanDerWaalsContact OD1-CB 3.23Å; D968-N970 WeakPolarHBondContact OD1-CB 3.44Å; D968-N970 PolarHBondContact OD1-N 2.74Å; D968-N970 PolarHBondContact OD1-ND2 2.85Å; N970-T972 VanDerWaalsContact C-N 3.28Å; N970-T972 PolarHBondContact O-N 3.33Å
971	D	87.8	Confident	86.8	Confident	73 Å²	73	57.1 Å²	57.1	39%	0.39	31%	0.307	S	S	.	.			trans	-78.7	80.1	169.3	-174	12	0	0	0	111.1	D968 K973 S974 C977	D968-D971 PolarHBondContact O-N 3.45Å; D971-K973 PolarHBondContact O-N 3.16Å; D971-K973 WeakPolarHBondContact OD1-CA 3.27Å; D971-K973 WeakPolarHBondContact OD1-CB 3.39Å; D971-K973 PolarHBondContact OD1-N 3.25Å; D971-S974 WeakPolarHBondContact O-CB 3.35Å; D971-S974 PolarHBondContact O-N 3.38Å; D971-S974 PolarHBondContact O-OG 2.8Å; D971-S974 PolarHBondContact OD1-N 3.39Å; D971-S974 WeakPolarHBondContact OD2-CB 3.24Å; D971-S974 PolarHBondContact OD2-N 2.82Å; D971-C977 WeakPolarHBondContact O-CB 3.24Å
972	T	79.8	Confident	87.2	Confident	107 Å²	107	55.7 Å²	55.7	66%	0.656	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-7.6	172.9	59.3	0	0	0	0	114.4	N970	N970-T972 VanDerWaalsContact C-N 3.28Å; N970-T972 PolarHBondContact O-N 3.33Å
973	K	80	Confident	87.8	Confident	161 Å²	161	48.2 Å²	48.2	70%	0.7	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-7.2	174.5	-62.7	176.4	-177.9	172.7	0	112.6	K105 D971	K105-K973 PolarHBondContact NZ-O 2.91Å; D971-K973 PolarHBondContact O-N 3.16Å; D971-K973 WeakPolarHBondContact OD1-CA 3.27Å; D971-K973 WeakPolarHBondContact OD1-CB 3.39Å; D971-K973 PolarHBondContact OD1-N 3.25Å
974	S	86.9	Confident	88.1	Confident	23 Å²	23	45.1 Å²	45.1	16%	0.161	24%	0.242	C	C	.	.	S	Bend	trans	-61.8	151.8	175.6	65.3	0	0	0	0	111.7	D971 C977 A978	D971-S974 WeakPolarHBondContact O-CB 3.35Å; D971-S974 PolarHBondContact O-N 3.38Å; D971-S974 PolarHBondContact O-OG 2.8Å; D971-S974 PolarHBondContact OD1-N 3.39Å; D971-S974 WeakPolarHBondContact OD2-CB 3.24Å; D971-S974 PolarHBondContact OD2-N 2.82Å; S974-C977 WeakPolarHBondContact OG-CB 3.37Å; S974-C977 PolarHBondContact OG-N 3.13Å; S974-C977 VanDerWaalsContact OG-N 3.12Å; S974-A978 WeakPolarHBondContact O-CB 3.35Å; S974-A978 PolarHBondContact O-N 3.3Å; S974-A978 VanDerWaalsContact O-N 3.16Å
975	R	86.5	Confident	88.3	Confident	32 Å²	32	42.9 Å²	42.9	12%	0.121	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-47.9	173.9	171.4	171.3	168.3	78.3	23.8	110.2	V102 N106 E952 I955 E959 A978 V979	V102-R975 HydrophobicContact CG1-CG 4.03Å; N106-R975 VanDerWaalsContact CG-NH1 3.25Å; N106-R975 PolarHBondContact ND2-NH1 3.45Å; N106-R975 PolarHBondContact OD1-NH1 2.9Å; E952-R975 IonicContact OE2-CZ 3.18Å; E952-R975 IonicContact OE2-NH1 3.63Å; E952-R975 PolarHBondContact OE2-NH1 2.93Å; E952-R975 IonicContact OE2-NH2 2.69Å; E952-R975 PolarHBondContact OE2-NH2 2.81Å; I955-R975 VanDerWaalsContact CG2-NH2 3.31Å; E959-R975 IonicContact OE1-NE 3.92Å; E959-R975 PolarHBondContact OE1-NE 3.5Å; E959-R975 IonicContact OE2-NE 3Å; R975-A978 PolarHBondContact O-N 3.15Å; R975-V979 WeakPolarHBondContact O-CG2 3.48Å; R975-V979 PolarHBondContact O-N 3.38Å
976	D	88.3	Confident	88.4	Confident	17 Å²	17	38.5 Å²	38.5	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-53.3	-55.2	176.5	-69.6	30.1	0	0	0	112.8	L956 K960 V967 A978 V979 L980	L956-D976 HydrophobicContact CD1-CB 4.09Å; K960-D976 WeakPolarHBondContact CE-OD2 3.48Å; K960-D976 IonicContact NZ-OD2 3.64Å; K960-D976 PolarHBondContact NZ-OD2 2.9Å; V967-D976 HydrophobicContact CG1-CB 3.96Å; V967-D976 HydrophobicContact CG2-CB 4.32Å; D976-A978 VanDerWaalsContact C-N 3.32Å; D976-A978 PolarHBondContact O-N 3.06Å; D976-V979 PolarHBondContact O-N 3.4Å; D976-L980 WeakPolarHBondContact O-CB 3.24Å; D976-L980 VanDerWaalsContact O-CG 3.27Å; D976-L980 WeakPolarHBondContact O-CG 3.38Å; D976-L980 PolarHBondContact O-N 2.87Å
977	C	88.8	Confident	88.2	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-36.6	-176.7	-171.1	0	0	0	0	111.7	D971 S974 S981	D971-C977 WeakPolarHBondContact O-CB 3.24Å; S974-C977 WeakPolarHBondContact OG-CB 3.37Å; S974-C977 PolarHBondContact OG-N 3.13Å; S974-C977 VanDerWaalsContact OG-N 3.12Å; C977-S981 WeakPolarHBondContact O-CB 3.17Å; C977-S981 PolarHBondContact O-N 2.61Å; C977-S981 PolarHBondContact O-OG 2.88Å
978	A	88.6	Confident	87.9	Confident	8 Å²	8	38.1 Å²	38.1	7%	0.066	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-47	176.2	0	0	0	0	0	112.7	L98 V102 S974 R975 D976 A982	L98-A978 HydrophobicContact CD2-CB 4.42Å; V102-A978 HydrophobicContact CG2-CB 3.58Å; S974-A978 WeakPolarHBondContact O-CB 3.35Å; S974-A978 PolarHBondContact O-N 3.3Å; S974-A978 VanDerWaalsContact O-N 3.16Å; R975-A978 PolarHBondContact O-N 3.15Å; D976-A978 VanDerWaalsContact C-N 3.32Å; D976-A978 PolarHBondContact O-N 3.06Å; A978-A982 VanDerWaalsContact O-CB 3.32Å; A978-A982 WeakPolarHBondContact O-CB 3.25Å; A978-A982 PolarHBondContact O-N 3.45Å
979	V	90.9	Very high	87.1	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-47	177.5	174.3	0	0	0	0	110.9	V102 E952 L956 R975 D976 A982 I983	V102-V979 HydrophobicContact CG1-CG2 4Å; V102-V979 HydrophobicContact CG2-CG2 4.08Å; E952-V979 HydrophobicContact CB-CG1 4.03Å; E952-V979 HydrophobicContact CB-CG2 4.08Å; L956-V979 HydrophobicContact CD1-CB 4.45Å; L956-V979 HydrophobicContact CD1-CG1 4.5Å; R975-V979 WeakPolarHBondContact O-CG2 3.48Å; R975-V979 PolarHBondContact O-N 3.38Å; D976-V979 PolarHBondContact O-N 3.4Å; V979-A982 WeakPolarHBondContact O-CB 3.48Å; V979-A982 PolarHBondContact O-N 2.82Å; V979-I983 HydrophobicContact CG1-CD1 3.92Å; V979-I983 VanDerWaalsContact O-CG1 3.3Å; V979-I983 WeakPolarHBondContact O-CG1 3.47Å; V979-I983 PolarHBondContact O-N 3.39Å
980	L	92.6	Very high	85.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-178.4	-65.7	166.3	0	0	0	112	L711 F712 L953 L956 V967 W969 D976 I983 I984	L711-L980 HydrophobicContact CB-CD2 4.39Å; L711-L980 HydrophobicContact CD2-CD1 4.49Å; F712-L980 HydrophobicContact CD1-CD2 4.15Å; F712-L980 HydrophobicContact CE1-CD2 3.68Å; L953-L980 HydrophobicContact CD1-CD2 4.35Å; L956-L980 HydrophobicContact CD1-CD1 4.23Å; L956-L980 HydrophobicContact CD1-CD2 4.49Å; L956-L980 HydrophobicContact CD1-CG 4.12Å; V967-L980 HydrophobicContact CB-CD1 4.37Å; V967-L980 HydrophobicContact CG1-CD1 3.89Å; V967-L980 HydrophobicContact CG2-CD1 3.74Å; W969-L980 HydrophobicContact CH2-CB 3.62Å; W969-L980 HydrophobicContact CZ2-CB 3.68Å; W969-L980 HydrophobicContact CZ2-CD1 4.06Å; W969-L980 HydrophobicContact CZ2-CG 4.49Å; D976-L980 WeakPolarHBondContact O-CB 3.24Å; D976-L980 VanDerWaalsContact O-CG 3.27Å; D976-L980 WeakPolarHBondContact O-CG 3.38Å; D976-L980 PolarHBondContact O-N 2.87Å; L980-I983 HydrophobicContact CD2-CD1 4.48Å; L980-I983 PolarHBondContact O-N 3.46Å; L980-I984 WeakPolarHBondContact O-CB 3.36Å; L980-I984 WeakPolarHBondContact O-CG1 3.18Å; L980-I984 PolarHBondContact O-N 2.81Å
981	S	90.3	Very high	84.1	Confident	35 Å²	35	34 Å²	34	25%	0.245	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-42.6	172.9	-64.7	0	0	0	0	112.1	C977 I983 I984 D985	C977-S981 WeakPolarHBondContact O-CB 3.17Å; C977-S981 PolarHBondContact O-N 2.61Å; C977-S981 PolarHBondContact O-OG 2.88Å; S981-I983 VanDerWaalsContact C-N 3.32Å; S981-I983 PolarHBondContact O-N 2.84Å; S981-I984 PolarHBondContact O-N 2.81Å; S981-D985 PolarHBondContact O-N 2.98Å
982	A	89.9	Confident	81.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-40.9	175.3	0	0	0	0	0	112.1	I95 L98 L949 A978 V979 L986	I95-A982 HydrophobicContact CG2-CB 4.09Å; L98-A982 HydrophobicContact CB-CB 4.25Å; L98-A982 HydrophobicContact CD1-CB 4.15Å; L949-A982 HydrophobicContact CD2-CB 3.77Å; A978-A982 VanDerWaalsContact O-CB 3.32Å; A978-A982 WeakPolarHBondContact O-CB 3.25Å; A978-A982 PolarHBondContact O-N 3.45Å; V979-A982 WeakPolarHBondContact O-CB 3.48Å; V979-A982 PolarHBondContact O-N 2.82Å; A982-L986 PolarHBondContact O-N 3.27Å
983	I	92.2	Very high	79.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-44.7	173.5	-64.5	162.5	0	0	0	111.2	F712 F912 L949 L953 V979 L980 S981 D985 L986 I987	F712-I983 HydrophobicContact CE1-CB 4.36Å; F712-I983 HydrophobicContact CE1-CG2 3.93Å; F712-I983 HydrophobicContact CZ-CG2 3.84Å; F912-I983 HydrophobicContact CD1-CG2 3.99Å; F912-I983 HydrophobicContact CD2-CG2 4.28Å; F912-I983 HydrophobicContact CE1-CD1 4.3Å; F912-I983 HydrophobicContact CE1-CG1 4.43Å; F912-I983 HydrophobicContact CE1-CG2 3.68Å; F912-I983 HydrophobicContact CE2-CB 4.48Å; F912-I983 HydrophobicContact CE2-CD1 4.16Å; F912-I983 HydrophobicContact CE2-CG1 3.75Å; F912-I983 HydrophobicContact CE2-CG2 4.01Å; F912-I983 HydrophobicContact CG-CG2 4.28Å; F912-I983 HydrophobicContact CZ-CB 4.33Å; F912-I983 HydrophobicContact CZ-CD1 3.56Å; F912-I983 HydrophobicContact CZ-CG1 3.63Å; F912-I983 HydrophobicContact CZ-CG2 3.7Å; L949-I983 HydrophobicContact CB-CG1 4.37Å; L949-I983 HydrophobicContact CD2-CG1 4.36Å; L953-I983 HydrophobicContact CB-CD1 4.21Å; L953-I983 HydrophobicContact CD1-CD1 4.44Å; L953-I983 HydrophobicContact CD2-CD1 4.36Å; V979-I983 HydrophobicContact CG1-CD1 3.92Å; V979-I983 VanDerWaalsContact O-CG1 3.3Å; V979-I983 WeakPolarHBondContact O-CG1 3.47Å; V979-I983 PolarHBondContact O-N 3.39Å; L980-I983 HydrophobicContact CD2-CD1 4.48Å; L980-I983 PolarHBondContact O-N 3.46Å; S981-I983 VanDerWaalsContact C-N 3.32Å; S981-I983 PolarHBondContact O-N 2.84Å; I983-D985 PolarHBondContact O-N 3.45Å; I983-L986 WeakPolarHBondContact O-CB 3.36Å; I983-L986 PolarHBondContact O-N 2.83Å; I983-I987 WeakPolarHBondContact O-CG1 3.27Å; I983-I987 PolarHBondContact O-N 2.97Å; I983-I987 VanDerWaalsContact O-N 3.08Å
984	I	90.6	Very high	77.8	Confident	9 Å²	9	33.6 Å²	33.6	5%	0.046	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-44.2	178.3	-78.3	176.8	0	0	0	111.3	F712 I830 W969 L980 S981 I987 K988	F712-I984 HydrophobicContact CB-CD1 4.27Å; F712-I984 HydrophobicContact CD1-CD1 3.93Å; F712-I984 HydrophobicContact CD1-CG1 3.78Å; F712-I984 HydrophobicContact CE1-CG1 4.3Å; F712-I984 HydrophobicContact CG-CD1 4.46Å; F712-I984 HydrophobicContact CG-CG1 4.41Å; I830-I984 HydrophobicContact CD1-CD1 4.29Å; I830-I984 HydrophobicContact CD1-CG1 4.37Å; I830-I984 HydrophobicContact CD1-CG2 3.82Å; I830-I984 HydrophobicContact CG1-CG2 4.43Å; W969-I984 HydrophobicContact CH2-CD1 3.54Å; W969-I984 HydrophobicContact CZ2-CD1 4.21Å; W969-I984 HydrophobicContact CZ3-CD1 4.25Å; L980-I984 WeakPolarHBondContact O-CB 3.36Å; L980-I984 WeakPolarHBondContact O-CG1 3.18Å; L980-I984 PolarHBondContact O-N 2.81Å; S981-I984 PolarHBondContact O-N 2.81Å; I984-I987 WeakPolarHBondContact O-CG1 3.4Å; I984-I987 PolarHBondContact O-N 3.43Å; I984-K988 HydrophobicContact CG2-CD 3.41Å; I984-K988 VanDerWaalsContact CG2-CD 3.41Å; I984-K988 HydrophobicContact CG2-CG 4.46Å; I984-K988 WeakPolarHBondContact O-CB 3.42Å; I984-K988 VanDerWaalsContact O-CD 3.31Å; I984-K988 WeakPolarHBondContact O-CD 3.47Å; I984-K988 VanDerWaalsContact O-CG 3.31Å; I984-K988 WeakPolarHBondContact O-CG 3.35Å; I984-K988 PolarHBondContact O-N 3.37Å
985	D	87.8	Confident	75.1	Confident	23 Å²	23	37.4 Å²	37.4	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-70.1	-33.6	-179.7	-85.1	-14.1	0	0	0	112.9	Q94 I95 S981 I983 K988	Q94-D985 PolarHBondContact NE2-OD2 3.25Å; I95-D985 HydrophobicContact CD1-CB 4.34Å; I95-D985 HydrophobicContact CG1-CB 4.29Å; S981-D985 PolarHBondContact O-N 2.98Å; I983-D985 PolarHBondContact O-N 3.45Å; D985-K988 IonicContact OD1-NZ 3.76Å; D985-K988 PolarHBondContact OD1-NZ 3.11Å
986	L	88.3	Confident	72.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-55.8	168.3	174.9	76.5	0	0	0	111.1	M87 I95 Y908 F912 I942 V946 L949 A982 I983 K988 T989	M87-L986 HydrophobicContact SD-CD1 4.09Å; I95-L986 HydrophobicContact CD1-CB 4.2Å; Y908-L986 HydrophobicContact CD1-CD1 4.32Å; F912-L986 HydrophobicContact CB-CD2 4.28Å; F912-L986 HydrophobicContact CD2-CD2 3.79Å; F912-L986 HydrophobicContact CG-CD2 4.38Å; I942-L986 HydrophobicContact CG2-CD1 4.5Å; V946-L986 HydrophobicContact CG2-CD1 4.12Å; V946-L986 HydrophobicContact CG2-CD2 3.62Å; L949-L986 HydrophobicContact CD1-CD2 4.24Å; A982-L986 PolarHBondContact O-N 3.27Å; I983-L986 WeakPolarHBondContact O-CB 3.36Å; I983-L986 PolarHBondContact O-N 2.83Å; L986-K988 VanDerWaalsContact C-N 3.27Å; L986-K988 PolarHBondContact O-N 2.96Å; L986-T989 WeakPolarHBondContact O-CB 3.45Å; L986-T989 WeakPolarHBondContact O-CG2 3.21Å; L986-T989 PolarHBondContact O-N 3.49Å; L986-T989 PolarHBondContact O-OG1 3.35Å
987	I	87.2	Confident	69.9	Low	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-21.2	-175.6	62.3	177.4	0	0	0	113.6	I830 A833 F912 I983 I984 T989	I830-I987 HydrophobicContact CG1-CD1 4.4Å; A833-I987 HydrophobicContact CB-CB 4.24Å; A833-I987 HydrophobicContact CB-CD1 3.53Å; A833-I987 HydrophobicContact CB-CG1 4.37Å; A833-I987 HydrophobicContact CB-CG2 4.41Å; F912-I987 HydrophobicContact CB-CG2 4.35Å; I983-I987 WeakPolarHBondContact O-CG1 3.27Å; I983-I987 PolarHBondContact O-N 2.97Å; I983-I987 VanDerWaalsContact O-N 3.08Å; I984-I987 WeakPolarHBondContact O-CG1 3.4Å; I984-I987 PolarHBondContact O-N 3.43Å; I987-T989 VanDerWaalsContact C-N 3.29Å; I987-T989 PolarHBondContact O-N 3.49Å
988	K	83.3	Confident	67.1	Low	57 Å²	57	57.2 Å²	57.2	25%	0.248	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.6	177.1	-82.4	159.4	62.6	-159.8	0	114.3	K829 I830 I984 D985 L986	K829-K988 HydrophobicContact CD-CB 4.49Å; K829-K988 HydrophobicContact CD-CG 4.47Å; K829-K988 PolarHBondContact NZ-O 3.16Å; I830-K988 HydrophobicContact CD1-CD 4.38Å; I984-K988 HydrophobicContact CG2-CD 3.41Å; I984-K988 VanDerWaalsContact CG2-CD 3.41Å; I984-K988 HydrophobicContact CG2-CG 4.46Å; I984-K988 WeakPolarHBondContact O-CB 3.42Å; I984-K988 VanDerWaalsContact O-CD 3.31Å; I984-K988 WeakPolarHBondContact O-CD 3.47Å; I984-K988 VanDerWaalsContact O-CG 3.31Å; I984-K988 WeakPolarHBondContact O-CG 3.35Å; I984-K988 PolarHBondContact O-N 3.37Å; D985-K988 IonicContact OD1-NZ 3.76Å; D985-K988 PolarHBondContact OD1-NZ 3.11Å; L986-K988 VanDerWaalsContact C-N 3.27Å; L986-K988 PolarHBondContact O-N 2.96Å
989	T	72.9	Confident	64.2	Low	4 Å²	4	61.9 Å²	61.9	3%	0.025	33%	0.328	C	S	.	.			trans	-65.8	154.6	178.7	55.5	0	0	0	0	112.2	M87 Y908 L986 I987	M87-T989 HydrophobicContact CG-CG2 3.77Å; M87-T989 HydrophobicContact SD-CG2 3.78Å; Y908-T989 WeakPolarHBondContact CD2-OG1 3.21Å; Y908-T989 WeakPolarHBondContact CE2-OG1 3.44Å; L986-T989 WeakPolarHBondContact O-CB 3.45Å; L986-T989 WeakPolarHBondContact O-CG2 3.21Å; L986-T989 PolarHBondContact O-N 3.49Å; L986-T989 PolarHBondContact O-OG1 3.35Å; I987-T989 VanDerWaalsContact C-N 3.29Å; I987-T989 PolarHBondContact O-N 3.49Å
990	Q	59.3	Low	61.2	Low	120 Å²	120	67.4 Å²	67.4	56%	0.561	36%	0.364	S	S	*	.			trans	-116.8	149.9	-176.4	-78.8	173.4	-33.5	0	0	110.6	K992	Q990-K992 PolarHBondContact O-N 3.34Å
991	E	54.5	Low	58.3	Low	35 Å²	35	78.8 Å²	78.8	16%	0.164	41%	0.407	C	S	.	.			trans	-60.2	126.5	156.9	-74.7	-179.2	-153.2	0	0	107.8	V85 Y883 P907 A993	V85-E991 HydrophobicContact CB-CG 4.44Å; V85-E991 HydrophobicContact CG1-CG 3.89Å; V85-E991 HydrophobicContact CG2-CG 4.12Å; Y883-E991 HydrophobicContact CD1-CG 4.19Å; Y883-E991 HydrophobicContact CE1-CB 4.38Å; Y883-E991 HydrophobicContact CE1-CG 4.13Å; P907-E991 VanDerWaalsContact CD-OE1 3.27Å; P907-E991 WeakPolarHBondContact CD-OE1 3.44Å; P907-E991 WeakPolarHBondContact CG-OE1 3.4Å; E991-A993 PolarHBondContact O-N 3Å; E991-A993 VanDerWaalsContact O-N 3.17Å
992	K	42.4	Very low	55.6	Low	150 Å²	150	86 Å²	86	65%	0.652	43%	0.434	S	S	*	.			trans	-65.4	116.2	160.8	-78.8	-177.1	179.3	172.5	0	105.5	Q990 T994	Q990-K992 PolarHBondContact O-N 3.34Å; K992-T994 PolarHBondContact O-N 3.19Å
993	A	36	Very low	52.8	Low	95 Å²	95	95 Å²	95	79%	0.785	48%	0.476	S	S	*	.			trans	-51.3	111.7	177.6	0	0	0	0	0	109	E991	E991-A993 PolarHBondContact O-N 3Å; E991-A993 VanDerWaalsContact O-N 3.17Å
994	T	35.8	Very low	49.9	Very low	86 Å²	86	101.9 Å²	101.9	53%	0.528	51%	0.513	S	S	.	.			trans	-57.2	131.7	168.4	36.5	0	0	0	0	106.6	V84 K992 R996	V84-T994 HydrophobicContact CB-CG2 4.16Å; V84-T994 HydrophobicContact CG2-CG2 4.05Å; K992-T994 PolarHBondContact O-N 3.19Å; T994-R996 PolarHBondContact O-N 3.16Å
995	P	30.1	Very low	47.2	Very low	104 Å²	104	104.6 Å²	104.6	68%	0.675	54%	0.543	S	S	*	.			trans	-59.8	105.4	179.9	22.6	-31.5	0	0	0	107.8	N997	P995-N997 VanDerWaalsContact C-N 3.26Å; P995-N997 PolarHBondContact O-N 3.23Å
996	R	39.2	Very low	44.4	Very low	152 Å²	152	113.9 Å²	113.9	57%	0.574	58%	0.578	S	S	*	*			trans	-60.4	97.9	168.5	-70.9	-177.8	178.6	169.6	2.1	104.5	D880 F881 T994 F998	D880-R996 IonicContact OD1-CZ 3.45Å; D880-R996 IonicContact OD1-NH1 3.54Å; D880-R996 PolarHBondContact OD1-NH1 3.06Å; D880-R996 IonicContact OD1-NH2 2.74Å; F881-R996 PolarHBondContact O-NH2 3.22Å; T994-R996 PolarHBondContact O-N 3.16Å; R996-F998 HydrophobicContact CB-CD2 3.9Å; R996-F998 HydrophobicContact CB-CE2 3.62Å; R996-F998 HydrophobicContact CB-CZ 4.5Å; R996-F998 HydrophobicContact CG-CE2 4.45Å; R996-F998 VanDerWaalsContact O-CD2 3.29Å; R996-F998 WeakPolarHBondContact O-CD2 3.32Å; R996-F998 PolarHBondContact O-N 3.18Å
997	N	27.1	Very low	41.8	Very low	152 Å²	152	125 Å²	125	81%	0.813	62%	0.622	S	S	*	*			trans	-65.8	74.4	-179.4	-89.4	-17.7	0	0	0	109.9	P995 P999	P995-N997 VanDerWaalsContact C-N 3.26Å; P995-N997 PolarHBondContact O-N 3.23Å; N997-P999 WeakPolarHBondContact O-CD 3.46Å
998	F	30.7	Very low	39.2	Very low	166 Å²	166	134.2 Å²	134.2	73%	0.728	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-71.8	117.2	162.2	-70.9	-74.8	0	0	0	106.8	R996	R996-F998 HydrophobicContact CB-CD2 3.9Å; R996-F998 HydrophobicContact CB-CE2 3.62Å; R996-F998 HydrophobicContact CB-CZ 4.5Å; R996-F998 HydrophobicContact CG-CE2 4.45Å; R996-F998 VanDerWaalsContact O-CD2 3.29Å; R996-F998 WeakPolarHBondContact O-CD2 3.32Å; R996-F998 PolarHBondContact O-N 3.18Å
999	P	26.8	Very low	37	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-58.9	136.9	166.9	26.5	-32.8	0	0	0	107.8	N997 R1001	N997-P999 WeakPolarHBondContact O-CD 3.46Å; P999-R1001 PolarHBondContact O-N 2.87Å; P999-R1001 VanDerWaalsContact O-N 3.13Å
1000	P	28.7	Very low	35.1	Very low	119 Å²	119	145.1 Å²	145.1	77%	0.773	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-58.4	122.8	-176.2	22.9	-32.8	0	0	0	109.4	F1002	P1000-F1002 PolarHBondContact O-N 3.01Å
1001	R	31.9	Very low	33.8	Very low	238 Å²	238	146.5 Å²	146.5	90%	0.898	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-70.3	123.4	167.5	-78.8	-176	170.7	-172.6	-4.2	107.5	P999 Q1003	P999-R1001 PolarHBondContact O-N 2.87Å; P999-R1001 VanDerWaalsContact O-N 3.13Å; R1001-Q1003 PolarHBondContact O-N 3.46Å
1002	F	33	Very low	32.6	Very low	187 Å²	187	153.1 Å²	153.1	82%	0.82	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-51.2	123	166.7	-81.3	-103.6	0	0	0	109.3	P1000 D1004	P1000-F1002 PolarHBondContact O-N 3.01Å; F1002-D1004 PolarHBondContact O-N 3.28Å
1003	Q	31	Very low	31.9	Very low	190 Å²	190	153.3 Å²	153.3	89%	0.888	80%	0.797	S	S	*	*			trans	-82.7	90.6	159.4	-77.9	-178.4	-28.4	0	0	107	R1001 G1005	R1001-Q1003 PolarHBondContact O-N 3.46Å; Q1003-G1005 PolarHBondContact O-N 3.05Å; Q1003-G1005 VanDerWaalsContact O-N 3.1Å
1004	D	32	Very low	31.7	Very low	144 Å²	144	157.1 Å²	157.1	77%	0.77	80%	0.798	S	S	*	*			trans	-70.1	100.9	159.3	-76.1	-38.2	0	0	0	107.3	F1002	F1002-D1004 PolarHBondContact O-N 3.28Å
1005	G	32.7	Very low	31.4	Very low	66 Å²	66	162.2 Å²	162.2	68%	0.68	82%	0.817	S	S	*	*			trans	-79.9	120.1	172	0	0	0	0	0	110.1	Q1003	Q1003-G1005 PolarHBondContact O-N 3.05Å; Q1003-G1005 VanDerWaalsContact O-N 3.1Å
1006	Y	30.2	Very low	31.5	Very low	219 Å²	219	166.7 Å²	166.7	86%	0.859	83%	0.828	S	S	*	*			trans	-132.2	114.7	156	-91.7	-82.5	0	0	0	109.5
1007	Y	33.3	Very low	30.8	Very low	234 Å²	234	167.9 Å²	167.9	92%	0.918	85%	0.849	S	S	*	*			trans	-72	115.5	157.3	-91.3	-97	0	0	0	107.9
1008	S	32.6	Very low	31.2	Very low	194 Å²	194	169.4 Å²	169.4	100%	1.357	85%	0.853	S	S	*	*			trans	-175.5	0	154.2	-75.9	0	0	0	0	108.4

Retrieved 1,008 of 1,008 residues in 2036.3 ms (Link to these results)

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