A0A087YNW9_POEFO Loading...

formate--tetrahydrofolate ligase

AlphaFold DB , UniProt , Accession A0A087YNW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 974 aa.

						>A0A087YNW9_POEFO|A0A087YNW9
MKLATIRSVCCSVRVRASRPGSRFSGMSRGCLPVWTTNSRLTLRTASTVTSSGTSPTLTANFGKLFKEDEWSECSRSVGEVVQSTQEAIATLQRRSPDIQPLLVILQAGENGSMLEINKKVAGKIGLNVTQICLAKNCSEDEIIEELLKLNDDPKVHGVFLHLPPASLTSRVLNALKPEKDVDCISNLNIGRLVRGDMSKGFVPPMASAVLDLLGKHDASLKGKSVLLVGGQGPLRLALQCLIERSGMTVQTNHWNSNSLKTQVLQADAVFLLSAGNMDIPPSWARPETVIIHCESALEPDDDLIDMSSISGLAYLTAVYRAQNVTHGCSRWLQEQQYRPWNLRSCKLQPLNPVPTDIEISRAQTPKPVAQLAEEIGLLPEELEAYGRNKAKVQLSLLDRLHSQPDGKYVLVAGITPTPFGEGKTTVTVGLVQALSAHLKLNSFACLRQPSQGPTFGVKGGAAGGGYAQVIPMEEFNLHLTGDIHAITAANNLLAAAIDARMLHEATQSDKSLFNRLVPSVYGVRKFSPIQISRLRRLGIDKTDPASLTPEEVSSFVRLDFDPSQITWQRVVDTNDRFLRKITVGQASTEKGQIRETGFDIAVASEIMAILALADSLKDMKNRLARIVVGSSRSGEPVTAEDLGVSGALAVLMKDAIKPTLMQTLEGTPVFVHAGPFANIAHGSSSVLADKLALKLVGQDGYVVTEAGFGADIGMEKFFNIKCRASGLRPNVMVLVATVRALKMHGGGPNVSAGAPLPKEYIDENLSLVAGGCHSNLKKQIQNAHLFGVPVVVALNVFKTDTQAEIDLVCQLAKECGASDAVPCRHWSQGGRGSLELAMAVKEAAGRPTNFQFLYNTEMPILEKIRTIAQKVYGAEDIDLSPEASSKIDYYNQQGYGSLPICMAKTHLSLSHMPDKKGTPTGFVLPIRDVRASVGAGFIFPLVGMMSTMPGLPTRPCFYDIDLDPETEEIIGLF
					

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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	34.4	Very low	27.9	Very low	239 Å²	239	146.5 Å²	146.5	100%	1.177	80%	0.799	S	S	*	*				0	116.6	0	-65.7	128.4	169.4	0	0	106.2
2	K	26.2	Very low	27.7	Very low	203 Å²	203	142.2 Å²	142.2	88%	0.883	79%	0.788	S	S	*	*				72.6	132.4	66.6	-91.2	-165	173.5	-176.2	0	113.7
3	L	27.9	Very low	27.6	Very low	168 Å²	168	142.8 Å²	142.8	88%	0.88	80%	0.797	S	S	*	*			trans	71.3	114.2	-175.7	-54.4	169.5	0	0	0	113.8
4	A	29.1	Very low	27.4	Very low	83 Å²	83	149.9 Å²	149.9	69%	0.686	81%	0.806	S	S	*	*			cis	69.3	139.5	2.1	0	0	0	0	0	115.6
5	T	30.6	Very low	27.4	Very low	113 Å²	113	149.1 Å²	149.1	69%	0.693	81%	0.808	S	S	*	*			cis	-158.1	172.8	14.7	-44	0	0	0	0	111.6
6	I	28	Very low	27.2	Very low	150 Å²	150	155.6 Å²	155.6	77%	0.769	82%	0.817	S	S	*	*			trans	113.9	110.1	155.6	-63.6	166.3	0	0	0	112.5
7	R	27.8	Very low	27.4	Very low	218 Å²	218	152.4 Å²	152.4	82%	0.823	82%	0.817	S	S	*	*			cis	80.1	140.1	49.4	-74.7	-168.3	173.4	-176	-1.8	114
8	S	26	Very low	27.2	Very low	87 Å²	87	150.7 Å²	150.7	61%	0.608	82%	0.819	S	S	*	*			cis	179	150	-12.5	51.4	0	0	0	0	112.5
9	V	27.8	Very low	27.2	Very low	139 Å²	139	155.6 Å²	155.6	84%	0.842	83%	0.825	S	S	*	*			trans	66.3	143.7	137.8	165.5	0	0	0	0	117.8
10	C	25.3	Very low	27.8	Very low	102 Å²	102	154.2 Å²	154.2	69%	0.689	83%	0.825	S	S	*	*			cis	-147.2	-160.9	-3.7	-135.7	0	0	0	0	108.1
11	C	24.4	Very low	27.6	Very low	110 Å²	110	150.6 Å²	150.6	74%	0.743	82%	0.824	S	S	*	*			cis	-138	159.8	0.6	-94.7	0	0	0	0	106.2
12	S	24.9	Very low	27.2	Very low	94 Å²	94	145.3 Å²	145.3	66%	0.657	81%	0.811	S	S	*	*			cis	80.5	87.3	24.8	85	0	0	0	0	117.6
13	V	26	Very low	27.2	Very low	150 Å²	150	145.9 Å²	145.9	91%	0.909	81%	0.807	S	S	*	*			trans	-139.2	150.5	156.7	-179.7	0	0	0	0	109
14	R	25.8	Very low	27	Very low	243 Å²	243	146.9 Å²	146.9	92%	0.917	81%	0.805	S	S	*	*			trans	-105.9	160.8	-174.3	-81.2	-179.2	170.7	172.1	-3.7	114.3
15	V	27.3	Very low	26.8	Very low	138 Å²	138	148 Å²	148	84%	0.836	81%	0.808	S	S	*	*			trans	-64	139.6	171.8	173.1	0	0	0	0	113.4
16	R	24.3	Very low	26.5	Very low	253 Å²	253	145.8 Å²	145.8	96%	0.955	81%	0.807	S	S	*	*			trans	-155.4	161.5	137.1	-116.5	177.4	-178.3	-174.7	-0.3	111.1
17	A	29.3	Very low	26.4	Very low	100 Å²	100	147.6 Å²	147.6	83%	0.826	82%	0.815	S	S	*	*			trans	-119.6	159.8	-162.1	0	0	0	0	0	114
18	S	24.8	Very low	26.2	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	81%	0.809	S	S	*	*			trans	-152.8	152.2	164.7	59.7	0	0	0	0	113.4
19	R	26.6	Very low	26.4	Very low	245 Å²	245	150.2 Å²	150.2	93%	0.925	83%	0.827	S	S	*	*			trans	-158.4	169.7	171.1	-93.6	-169.6	176.7	-169.7	0.5	105.1
20	P	39	Very low	26.2	Very low	127 Å²	127	146.7 Å²	146.7	83%	0.825	82%	0.819	S	S	*	*			cis	-133.5	-173.9	9.4	42.3	-25.4	0	0	0	115.1
21	G	24.6	Very low	26.1	Very low	79 Å²	79	147.7 Å²	147.7	81%	0.814	83%	0.826	S	S	*	*			trans	106.3	146.9	166.9	0	0	0	0	0	113.9
22	S	24.7	Very low	26	Very low	127 Å²	127	149.6 Å²	149.6	89%	0.888	83%	0.828	S	S	*	*			cis	-136.1	-152.5	9.2	67.4	0	0	0	0	113
23	R	26.1	Very low	26.6	Very low	215 Å²	215	150.4 Å²	150.4	81%	0.811	83%	0.83	S	S	*	*			trans	-102.4	158.1	-167.7	-58.7	172.2	176.8	163.1	-2.8	112.3
24	F	24.7	Very low	26.5	Very low	189 Å²	189	149 Å²	149	83%	0.829	82%	0.822	S	S	*	*				175.5	160	110	-104.3	-81.2	0	0	0	113.8
25	S	25.4	Very low	26.4	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	82%	0.82	S	S	*	*			trans	-68.5	170.7	169.7	47.7	0	0	0	0	113.1
26	G	23.7	Very low	26.1	Very low	65 Å²	65	147 Å²	147	67%	0.67	81%	0.812	S	S	*	*			cis	138.2	158.6	4.5	0	0	0	0	0	111.2
27	M	24.8	Very low	26.1	Very low	189 Å²	189	140.8 Å²	140.8	93%	0.931	80%	0.802	S	S	*	*			trans	65.4	162	-177.6	-66.1	-175.5	68.7	0	0	115.2
28	S	24.1	Very low	25.8	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	80%	0.802	S	S	*	*			cis	-161.2	171	-18.6	42	0	0	0	0	110.4
29	R	31.6	Very low	25.7	Very low	257 Å²	257	143 Å²	143	97%	0.97	80%	0.8	S	S	*	*			trans	-85.5	148	177.8	-74.3	179.5	170	178.8	-4.4	114.5
30	G	23.3	Very low	25.5	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	80%	0.799	S	S	*	*			trans	-171.4	129.3	158.1	0	0	0	0	0	107.8
31	C	22.3	Very low	24.7	Very low	123 Å²	123	144.8 Å²	144.8	83%	0.831	80%	0.802	S	S	*	*				65	133.5	66.5	-64	0	0	0	0	112.9
32	L	23.1	Very low	24.6	Very low	150 Å²	150	148 Å²	148	79%	0.785	81%	0.806	S	S	*	*			cis	-171.8	-159.4	-0.9	-108.4	172.9	0	0	0	106.1
33	P	38	Very low	24.4	Very low	110 Å²	110	149.4 Å²	149.4	71%	0.714	80%	0.802	S	S	*	*				-86.1	-129.1	-52.6	5.8	15.1	0	0	0	109.7
34	V	23	Very low	24.2	Very low	121 Å²	121	150.8 Å²	150.8	73%	0.733	81%	0.808	S	S	*	*			cis	-152.6	157.6	-5.2	-134.5	0	0	0	0	105.2
35	W	22.9	Very low	24	Very low	228 Å²	228	147.7 Å²	147.7	86%	0.864	80%	0.804	S	S	*	*				-154.8	171.5	53.6	-120.7	80.1	0	0	0	110.9
36	T	22.9	Very low	24	Very low	110 Å²	110	147.3 Å²	147.3	68%	0.675	81%	0.808	S	S	*	*			trans	-99.9	170.5	-177.6	49.5	0	0	0	0	111.8
37	T	23.7	Very low	24	Very low	123 Å²	123	149.7 Å²	149.7	76%	0.755	81%	0.814	S	S	*	*				-166.9	171.3	67.2	44.5	0	0	0	0	116.1
38	N	22.9	Very low	23.9	Very low	153 Å²	153	146.8 Å²	146.8	82%	0.818	81%	0.807	S	S	*	*			trans	-68.5	153.6	-172.7	-47.5	-62.1	0	0	0	117.4
39	S	22.8	Very low	23.9	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	81%	0.811	S	S	*	*				-175.2	114.2	116	29.5	0	0	0	0	110.3
40	R	22.9	Very low	23.7	Very low	242 Å²	242	141.8 Å²	141.8	91%	0.913	80%	0.801	S	S	*	*				67.9	118	88.1	-83.6	-166.2	174.9	-172.8	-0.4	115.7
41	L	21.6	Very low	23.8	Very low	168 Å²	168	143.5 Å²	143.5	88%	0.88	80%	0.803	S	S	*	*			trans	-69	154	167.7	-67.4	85.7	0	0	0	112.1
42	T	21.7	Very low	24	Very low	148 Å²	148	143.1 Å²	143.1	91%	0.908	80%	0.801	S	S	*	*			trans	-136.8	146.2	154.4	29.6	0	0	0	0	109.8
43	L	21.6	Very low	24.1	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	80%	0.8	S	S	*	*			trans	-145.2	115.4	-173	-159.4	177.2	0	0	0	108.3
44	R	21.2	Very low	23.6	Very low	244 Å²	244	141.4 Å²	141.4	92%	0.921	81%	0.81	S	S	*	*			trans	-165.6	178.4	167.9	-117.3	170.6	-169.1	-162.4	0.5	113.7
45	T	21.2	Very low	23.7	Very low	124 Å²	124	140.8 Å²	140.8	76%	0.761	81%	0.811	S	S	*	*			trans	-123.4	149.3	-147.3	48.9	0	0	0	0	115.8
46	A	24.7	Very low	24.4	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	80%	0.802	S	S	*	*			trans	3.2	136.6	158.5	0	0	0	0	0	122.5
47	S	23.2	Very low	24.4	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	81%	0.805	S	S	*	*			trans	-165.5	107.7	145.4	41.2	0	0	0	0	115.4
48	T	23.1	Very low	24.4	Very low	128 Å²	128	136 Å²	136	79%	0.785	80%	0.803	S	S	*	*			trans	21.1	138	139.5	52.7	0	0	0	0	125.7
49	V	25.5	Very low	24.4	Very low	131 Å²	131	134.6 Å²	134.6	79%	0.794	80%	0.8	S	S	*	*			trans	76.4	143.5	135.1	164.7	0	0	0	0	118.1
50	T	25.6	Very low	24.3	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	80%	0.797	S	S	*	*			cis	-121.8	-137.9	9.8	-30.5	0	0	0	0	110.8
51	S	26.3	Very low	24.4	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	79%	0.79	S	S	*	*			cis	-174.9	160.2	-9.1	27.8	0	0	0	0	109.4
52	S	26.5	Very low	24.7	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	80%	0.795	S	S	*	*			cis	178.8	128.2	-30.9	53.2	0	0	0	0	112.2
53	G	25.8	Very low	25.2	Very low	74 Å²	74	126.5 Å²	126.5	76%	0.763	78%	0.775	S	S	*	*			trans	100.6	152.8	166.7	0	0	0	0	0	116.8
54	T	26.7	Very low	25.6	Very low	150 Å²	150	129 Å²	129	92%	0.92	78%	0.78	S	S	*	*			cis	-147.5	161.8	-3.1	32.2	0	0	0	0	111.8
55	S	25.5	Very low	25.8	Very low	108 Å²	108	125.2 Å²	125.2	76%	0.755	78%	0.777	S	S	*	*			trans	-111.8	170.4	174.5	-147.6	0	0	0	0	109.8
56	P	37.3	Very low	26.1	Very low	105 Å²	105	127 Å²	127	68%	0.682	77%	0.774	S	S	*	*				-152.5	147.4	68.5	40	-19.5	0	0	0	118.6
57	T	23.6	Very low	26.1	Very low	118 Å²	118	130.6 Å²	130.6	72%	0.724	77%	0.771	S	S	*	*			trans	64.1	151	145.4	52	0	0	0	0	120.3
58	L	22	Very low	26.5	Very low	137 Å²	137	135 Å²	135	72%	0.717	78%	0.779	S	S	*	*			cis	-155.6	129.3	8	-128	160.9	0	0	0	110.7
59	T	22.8	Very low	26.8	Very low	124 Å²	124	135 Å²	135	76%	0.761	77%	0.774	S	S	*	*			trans	52.6	147.2	155.9	41.9	0	0	0	0	121
60	A	22.6	Very low	27	Very low	90 Å²	90	134.6 Å²	134.6	74%	0.744	76%	0.764	S	S	*	*			cis	-118.8	145.9	25	0	0	0	0	0	115
61	N	24.2	Very low	27.5	Very low	142 Å²	142	139.4 Å²	139.4	76%	0.759	77%	0.768	S	S	*	*			trans	-97.8	133.6	172.1	-84.4	-28.9	0	0	0	110.2
62	F	26.8	Very low	28.5	Very low	223 Å²	223	136 Å²	136	98%	0.978	75%	0.745	S	S	*	*			trans	-100.4	18.2	152.4	-87.9	-80.8	0	0	0	112
63	G	32.1	Very low	29.7	Very low	49 Å²	49	134.6 Å²	134.6	51%	0.505	73%	0.725	S	S	.	*	S	Bend	trans	-93.2	129.4	170.1	0	0	0	0	0	112
64	K	31.5	Very low	30.9	Very low	208 Å²	208	132.7 Å²	132.7	90%	0.904	70%	0.7	S	S	*	*			trans	68.9	83.6	179.2	-58.3	-170.7	-179.2	-171	0	116.8
65	L	25.5	Very low	32.5	Very low	163 Å²	163	128.7 Å²	128.7	85%	0.853	68%	0.678	S	S	*	*			trans	-148.1	43.6	142.3	-133.4	175	0	0	0	113.8
66	F	27.8	Very low	34.5	Very low	163 Å²	163	130.4 Å²	130.4	72%	0.715	67%	0.668	S	S	*	*			trans	-122.4	145.7	166.2	-71.9	-70.4	0	0	0	110.6	E70	F66-E70 WeakPolarHBondContact CD1-OE1 3.49Å; F66-E70 WeakPolarHBondContact CD1-OE2 3.4Å; F66-E70 WeakPolarHBondContact CE1-OE1 3.3Å; F66-E70 WeakPolarHBondContact CE1-OE2 3.39Å; F66-E70 WeakPolarHBondContact CG-OE2 3.45Å
67	K	24.7	Very low	36.1	Very low	176 Å²	176	125.4 Å²	125.4	77%	0.765	64%	0.636	S	S	*	*			trans	-87.9	173.3	-177.3	-69.6	176	176.5	175.9	0	110.9	D69	K67-D69 PolarHBondContact O-N 3.45Å
68	E	30.1	Very low	38.6	Very low	207 Å²	207	121 Å²	121	97%	0.967	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	18.5	179.5	-62.4	172.7	110.6	0	0	115.1
69	D	29.9	Very low	41.3	Very low	128 Å²	128	116.1 Å²	116.1	68%	0.684	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-12.8	-178.5	-83.7	-59.6	0	0	0	114.2	K67 W71 S72	K67-D69 PolarHBondContact O-N 3.45Å; D69-W71 VanDerWaalsContact C-N 3.32Å; D69-W71 PolarHBondContact O-N 2.91Å; D69-S72 WeakPolarHBondContact O-CB 3.44Å
70	E	29.9	Very low	44.2	Very low	122 Å²	122	115 Å²	115	57%	0.57	58%	0.577	S	S	*	*			trans	-91.1	38.3	-171.4	-72	-172	-170.1	0	0	115.6	F66	F66-E70 WeakPolarHBondContact CD1-OE1 3.49Å; F66-E70 WeakPolarHBondContact CD1-OE2 3.4Å; F66-E70 WeakPolarHBondContact CE1-OE1 3.3Å; F66-E70 WeakPolarHBondContact CE1-OE2 3.39Å; F66-E70 WeakPolarHBondContact CG-OE2 3.45Å
71	W	36.9	Very low	47.2	Very low	224 Å²	224	111.1 Å²	111.1	85%	0.848	55%	0.545	S	S	*	.	S	Bend	trans	-92.6	24.8	153.5	-90.7	34.5	0	0	0	111.2	D69 S75	D69-W71 VanDerWaalsContact C-N 3.32Å; D69-W71 PolarHBondContact O-N 2.91Å; W71-S75 VanDerWaalsContact O-CB 3.3Å; W71-S75 WeakPolarHBondContact O-CB 3.37Å; W71-S75 PolarHBondContact O-OG 2.78Å
72	S	46.3	Very low	50.2	Low	32 Å²	32	105.1 Å²	105.1	22%	0.224	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-25.9	-144.7	117.5	0	0	0	0	116.3	D69 R76	D69-S72 WeakPolarHBondContact O-CB 3.44Å; S72-R76 WeakPolarHBondContact O-CD 3.47Å; S72-R76 WeakPolarHBondContact O-CG 3.5Å; S72-R76 PolarHBondContact O-NE 3.46Å; S72-R76 PolarHBondContact O-NH1 3.39Å; S72-R76 PolarHBondContact OG-NH1 2.76Å
73	E	50.9	Low	53.1	Low	83 Å²	83	99.7 Å²	99.7	39%	0.388	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-59.8	-171.6	-67.7	-178.9	172	0	0	113	S75 R76 S77 H217	E73-S75 PolarHBondContact O-N 2.84Å; E73-R76 PolarHBondContact O-N 2.77Å; E73-S77 PolarHBondContact O-N 2.93Å; E73-H217 IonicContact OE2-CE1 4Å; E73-H217 PolarHBondContact OE2-CE1 3.43Å; E73-H217 IonicContact OE2-ND1 3.2Å; E73-H217 PolarHBondContact OE2-ND1 3.29Å
74	C	51.8	Low	55.9	Low	34 Å²	34	99.8 Å²	99.8	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-60.4	-33.1	-179	-170.6	0	0	0	0	112.6	V78 L213 G312	C74-V78 WeakPolarHBondContact O-CB 3.41Å; C74-V78 VanDerWaalsContact O-CG2 3.31Å; C74-V78 WeakPolarHBondContact O-CG2 3.32Å; C74-V78 PolarHBondContact O-N 3.41Å; C74-L213 HydrophobicContact CB-CD2 4.35Å; C74-G312 VanDerWaalsContact SG-C 3.51Å; C74-G312 WeakPolarHBondContact SG-CA 3.21Å
75	S	60	Low	58.7	Low	66 Å²	66	89.9 Å²	89.9	46%	0.462	44%	0.441	S	S	.	.	H	α-helix	trans	-69.4	-34.3	174.6	72.7	0	0	0	0	113.2	W71 E73 G79	W71-S75 VanDerWaalsContact O-CB 3.3Å; W71-S75 WeakPolarHBondContact O-CB 3.37Å; W71-S75 PolarHBondContact O-OG 2.78Å; E73-S75 PolarHBondContact O-N 2.84Å; S75-G79 PolarHBondContact O-N 2.94Å
76	R	67.4	Low	61.9	Low	145 Å²	145	85.9 Å²	85.9	55%	0.547	42%	0.418	S	S	.	.	H	α-helix	trans	-69.1	-47.1	172.6	-73.1	-179.7	-163.1	124.8	4.7	110.9	S72 E73 V78 G79 E80	S72-R76 WeakPolarHBondContact O-CD 3.47Å; S72-R76 WeakPolarHBondContact O-CG 3.5Å; S72-R76 PolarHBondContact O-NE 3.46Å; S72-R76 PolarHBondContact O-NH1 3.39Å; S72-R76 PolarHBondContact OG-NH1 2.76Å; E73-R76 PolarHBondContact O-N 2.77Å; R76-V78 VanDerWaalsContact C-N 3.34Å; R76-V78 PolarHBondContact O-N 2.71Å; R76-G79 CarbonylContact O-C 3.59Å; R76-G79 WeakPolarHBondContact O-CA 3.48Å; R76-G79 PolarHBondContact O-N 3.09Å; R76-E80 WeakPolarHBondContact O-CG 3.39Å; R76-E80 PolarHBondContact O-N 3.13Å
77	S	70.9	Confident	65	Low	0 Å²	0	83.1 Å²	83.1	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-52.1	-50.3	171.4	-75.7	0	0	0	0	112.5	E73 G79 E80 V81 D212 K216	E73-S77 PolarHBondContact O-N 2.93Å; S77-G79 VanDerWaalsContact C-N 3.28Å; S77-G79 PolarHBondContact O-N 3.31Å; S77-E80 PolarHBondContact O-N 3.31Å; S77-V81 WeakPolarHBondContact O-CG2 3.5Å; S77-V81 PolarHBondContact O-N 3.37Å; S77-D212 WeakPolarHBondContact CB-OD2 3.22Å; S77-D212 PolarHBondContact OG-OD2 2.89Å; S77-K216 VanDerWaalsContact OG-CD 3.26Å; S77-K216 WeakPolarHBondContact OG-CD 3.4Å; S77-K216 PolarHBondContact OG-NZ 3.4Å
78	V	76.5	Confident	68.1	Low	24 Å²	24	76.4 Å²	76.4	15%	0.145	38%	0.384	C	S	.	.	H	α-helix	trans	-60.5	-39.7	176.8	165.3	0	0	0	0	110.8	C74 R76 V82 L316 V319	C74-V78 WeakPolarHBondContact O-CB 3.41Å; C74-V78 VanDerWaalsContact O-CG2 3.31Å; C74-V78 WeakPolarHBondContact O-CG2 3.32Å; C74-V78 PolarHBondContact O-N 3.41Å; R76-V78 VanDerWaalsContact C-N 3.34Å; R76-V78 PolarHBondContact O-N 2.71Å; V78-V82 HydrophobicContact CG1-CG2 4.34Å; V78-V82 WeakPolarHBondContact O-CB 3.36Å; V78-V82 WeakPolarHBondContact O-CG2 3.47Å; V78-V82 PolarHBondContact O-N 3.49Å; V78-L316 HydrophobicContact CG2-CB 4.03Å; V78-L316 HydrophobicContact CG2-CD1 4.06Å; V78-V319 HydrophobicContact CG1-CG2 4.33Å
79	G	79	Confident	71	Confident	36 Å²	36	66.7 Å²	66.7	37%	0.371	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-50.4	174.4	0	0	0	0	0	113.8	S75 R76 S77 V82 Q83	S75-G79 PolarHBondContact O-N 2.94Å; R76-G79 CarbonylContact O-C 3.59Å; R76-G79 WeakPolarHBondContact O-CA 3.48Å; R76-G79 PolarHBondContact O-N 3.09Å; S77-G79 VanDerWaalsContact C-N 3.28Å; S77-G79 PolarHBondContact O-N 3.31Å; G79-V82 PolarHBondContact O-N 3.25Å; G79-Q83 WeakPolarHBondContact O-CB 3.29Å; G79-Q83 PolarHBondContact O-N 3.2Å
80	E	83.4	Confident	73.9	Confident	99 Å²	99	62.5 Å²	62.5	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-47.5	-180	-70.7	163.2	-178	0	0	112.3	R76 S77 Q83 S84 K216	R76-E80 WeakPolarHBondContact O-CG 3.39Å; R76-E80 PolarHBondContact O-N 3.13Å; S77-E80 PolarHBondContact O-N 3.31Å; E80-Q83 PolarHBondContact O-N 3.26Å; E80-S84 PolarHBondContact O-N 3.22Å; E80-S84 PolarHBondContact O-OG 3.04Å; E80-K216 WeakPolarHBondContact OE2-CE 3.24Å; E80-K216 IonicContact OE2-NZ 2.65Å; E80-K216 PolarHBondContact OE2-NZ 3.12Å
81	V	85.1	Confident	76.7	Confident	10 Å²	10	58.9 Å²	58.9	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-76.7	-30.5	-178.5	-167.1	0	0	0	0	110.9	S77 S84 T85 V319 Y320	S77-V81 WeakPolarHBondContact O-CG2 3.5Å; S77-V81 PolarHBondContact O-N 3.37Å; V81-S84 WeakPolarHBondContact CA-OG 3.15Å; V81-S84 PolarHBondContact O-OG 2.72Å; V81-T85 VanDerWaalsContact O-CB 3.29Å; V81-T85 WeakPolarHBondContact O-CB 3.4Å; V81-T85 PolarHBondContact O-N 3.44Å; V81-T85 VanDerWaalsContact O-N 3.08Å; V81-T85 PolarHBondContact O-OG1 3.17Å; V81-V319 HydrophobicContact CB-CG1 3.61Å; V81-V319 HydrophobicContact CG1-CG1 3.53Å; V81-Y320 HydrophobicContact CG1-CD1 4.11Å; V81-Y320 HydrophobicContact CG1-CE1 3.89Å; V81-Y320 HydrophobicContact CG2-CE1 4.24Å; V81-Y320 HydrophobicContact CG2-CE2 4.44Å
82	V	87.6	Confident	79.2	Confident	15 Å²	15	48.7 Å²	48.7	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-49.8	168.5	164.5	0	0	0	0	111	V78 G79 T85 Q86 I125 V319	V78-V82 HydrophobicContact CG1-CG2 4.34Å; V78-V82 WeakPolarHBondContact O-CB 3.36Å; V78-V82 WeakPolarHBondContact O-CG2 3.47Å; V78-V82 PolarHBondContact O-N 3.49Å; G79-V82 PolarHBondContact O-N 3.25Å; V82-T85 PolarHBondContact O-N 2.76Å; V82-Q86 HydrophobicContact CG1-CG 4.26Å; V82-Q86 WeakPolarHBondContact O-CG 3.48Å; V82-Q86 PolarHBondContact O-N 3.23Å; V82-I125 HydrophobicContact CB-CG1 4.36Å; V82-I125 HydrophobicContact CG1-CG1 4.03Å; V82-I125 HydrophobicContact CG2-CD1 4.11Å; V82-I125 HydrophobicContact CG2-CG1 4.06Å; V82-V319 HydrophobicContact CG2-CG1 4.04Å; V82-V319 HydrophobicContact CG2-CG2 3.7Å
83	Q	88	Confident	81.2	Confident	109 Å²	109	50 Å²	50	51%	0.509	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-50.2	-178	-178.6	-178.3	-24.3	0	0	111.3	G79 E80 T85 Q86 E87	G79-Q83 WeakPolarHBondContact O-CB 3.29Å; G79-Q83 PolarHBondContact O-N 3.2Å; E80-Q83 PolarHBondContact O-N 3.26Å; Q83-T85 VanDerWaalsContact C-N 3.25Å; Q83-T85 PolarHBondContact O-N 3.04Å; Q83-Q86 WeakPolarHBondContact O-CB 3.38Å; Q83-Q86 PolarHBondContact O-N 2.89Å; Q83-Q86 VanDerWaalsContact O-N 3.13Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.5Å; Q83-E87 PolarHBondContact NE2-OE1 3.25Å; Q83-E87 WeakPolarHBondContact O-CG 3.15Å; Q83-E87 PolarHBondContact O-N 3.3Å
84	S	91.1	Very high	82.9	Confident	51 Å²	51	55 Å²	55	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-32.3	177.9	52.7	0	0	0	0	112.9	E80 V81 A88	E80-S84 PolarHBondContact O-N 3.22Å; E80-S84 PolarHBondContact O-OG 3.04Å; V81-S84 WeakPolarHBondContact CA-OG 3.15Å; V81-S84 PolarHBondContact O-OG 2.72Å; S84-A88 WeakPolarHBondContact O-CB 3.32Å; S84-A88 PolarHBondContact O-N 3.33Å
85	T	90.9	Very high	84.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-73.6	-38.2	173.4	-51.8	0	0	0	0	112.3	V81 V82 Q83 A88 I89 I125 Q323 T326	V81-T85 VanDerWaalsContact O-CB 3.29Å; V81-T85 WeakPolarHBondContact O-CB 3.4Å; V81-T85 PolarHBondContact O-N 3.44Å; V81-T85 VanDerWaalsContact O-N 3.08Å; V81-T85 PolarHBondContact O-OG1 3.17Å; V82-T85 PolarHBondContact O-N 2.76Å; Q83-T85 VanDerWaalsContact C-N 3.25Å; Q83-T85 PolarHBondContact O-N 3.04Å; T85-A88 PolarHBondContact O-N 2.87Å; T85-I89 WeakPolarHBondContact O-CG1 3.44Å; T85-I89 PolarHBondContact O-N 3.3Å; T85-I125 HydrophobicContact CG2-CD1 4.2Å; T85-I125 HydrophobicContact CG2-CG2 3.67Å; T85-Q323 HydrophobicContact CG2-CB 4.38Å; T85-T326 HydrophobicContact CG2-CG2 4.46Å; T85-T326 WeakPolarHBondContact CG2-OG1 3.26Å
86	Q	92	Very high	85.3	Confident	78 Å²	78	59.9 Å²	59.9	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-46.5	171.9	-74	170.2	-28.8	0	0	111.2	V82 Q83 A88 I89 A90 K124	V82-Q86 HydrophobicContact CG1-CG 4.26Å; V82-Q86 WeakPolarHBondContact O-CG 3.48Å; V82-Q86 PolarHBondContact O-N 3.23Å; Q83-Q86 WeakPolarHBondContact O-CB 3.38Å; Q83-Q86 PolarHBondContact O-N 2.89Å; Q83-Q86 VanDerWaalsContact O-N 3.13Å; Q86-A88 VanDerWaalsContact C-N 3.29Å; Q86-A88 PolarHBondContact O-N 3.04Å; Q86-I89 PolarHBondContact O-N 3.14Å; Q86-A90 VanDerWaalsContact O-CB 3.29Å; Q86-A90 WeakPolarHBondContact O-CB 3.47Å; Q86-A90 PolarHBondContact O-N 3.39Å; Q86-K124 PolarHBondContact NE2-O 3.14Å
87	E	92.1	Very high	86	Confident	106 Å²	106	57.6 Å²	57.6	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-36.4	177.1	-72.2	176.9	-161.6	0	0	111.9	Q83 T91	Q83-E87 WeakPolarHBondContact CG-OE1 3.5Å; Q83-E87 PolarHBondContact NE2-OE1 3.25Å; Q83-E87 WeakPolarHBondContact O-CG 3.15Å; Q83-E87 PolarHBondContact O-N 3.3Å; E87-T91 WeakPolarHBondContact O-CB 3.39Å; E87-T91 PolarHBondContact O-N 3.16Å; E87-T91 PolarHBondContact O-OG1 2.96Å
88	A	90.8	Very high	86.4	Confident	34 Å²	34	63.9 Å²	63.9	28%	0.281	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-50.6	172.5	0	0	0	0	0	112.1	S84 T85 Q86 A90 T91 L92 T326	S84-A88 WeakPolarHBondContact O-CB 3.32Å; S84-A88 PolarHBondContact O-N 3.33Å; T85-A88 PolarHBondContact O-N 2.87Å; Q86-A88 VanDerWaalsContact C-N 3.29Å; Q86-A88 PolarHBondContact O-N 3.04Å; A88-A90 PolarHBondContact O-N 3.45Å; A88-T91 CarbonylContact O-C 3.6Å; A88-T91 WeakPolarHBondContact O-CA 3.43Å; A88-T91 WeakPolarHBondContact O-CB 3.28Å; A88-T91 PolarHBondContact O-N 2.99Å; A88-L92 PolarHBondContact O-N 3.41Å; A88-T326 HydrophobicContact CB-CG2 3.75Å
89	I	90.3	Very high	86.8	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-45.3	177.4	-68.4	-177.1	0	0	0	111.2	T85 Q86 T91 L92 Q93 P101 I125 L127 T326	T85-I89 WeakPolarHBondContact O-CG1 3.44Å; T85-I89 PolarHBondContact O-N 3.3Å; Q86-I89 PolarHBondContact O-N 3.14Å; I89-T91 PolarHBondContact O-N 2.92Å; I89-L92 PolarHBondContact O-N 2.7Å; I89-Q93 HydrophobicContact CG2-CG 4.3Å; I89-Q93 PolarHBondContact O-N 3.43Å; I89-P101 HydrophobicContact CG1-CG 4.43Å; I89-I125 HydrophobicContact CD1-CG2 3.48Å; I89-I125 VanDerWaalsContact CD1-CG2 3.48Å; I89-L127 HydrophobicContact CD1-CB 4.25Å; I89-T326 HydrophobicContact CG1-CG2 3.63Å
90	A	90.3	Very high	87.2	Confident	41 Å²	41	65.9 Å²	65.9	34%	0.339	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-23.8	174.8	0	0	0	0	0	112.5	Q86 A88 R94	Q86-A90 VanDerWaalsContact O-CB 3.29Å; Q86-A90 WeakPolarHBondContact O-CB 3.47Å; Q86-A90 PolarHBondContact O-N 3.39Å; A88-A90 PolarHBondContact O-N 3.45Å; A90-R94 WeakPolarHBondContact O-CB 3.49Å; A90-R94 WeakPolarHBondContact O-CG 3.45Å; A90-R94 PolarHBondContact O-N 2.87Å; A90-R94 PolarHBondContact O-NE 2.9Å
91	T	90.2	Very high	87.7	Confident	46 Å²	46	61.2 Å²	61.2	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-79.9	-33.7	172.4	-57.6	0	0	0	0	112.5	E87 A88 I89 R94 R95	E87-T91 WeakPolarHBondContact O-CB 3.39Å; E87-T91 PolarHBondContact O-N 3.16Å; E87-T91 PolarHBondContact O-OG1 2.96Å; A88-T91 CarbonylContact O-C 3.6Å; A88-T91 WeakPolarHBondContact O-CA 3.43Å; A88-T91 WeakPolarHBondContact O-CB 3.28Å; A88-T91 PolarHBondContact O-N 2.99Å; I89-T91 PolarHBondContact O-N 2.92Å; T91-R94 PolarHBondContact OG1-NH2 3.09Å; T91-R95 WeakPolarHBondContact O-CG 3.19Å; T91-R95 PolarHBondContact O-N 3.2Å
92	L	88.1	Confident	88.1	Confident	10 Å²	10	61.9 Å²	61.9	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-49.6	171.6	-59	-175.3	0	0	0	111.1	A88 I89 R94 R95 S96 I99 P101 T326 C329 L333	A88-L92 PolarHBondContact O-N 3.41Å; I89-L92 PolarHBondContact O-N 2.7Å; L92-R94 VanDerWaalsContact C-N 3.31Å; L92-R94 PolarHBondContact O-N 2.84Å; L92-R95 CarbonylContact O-C 3.58Å; L92-R95 WeakPolarHBondContact O-CA 3.45Å; L92-R95 WeakPolarHBondContact O-CB 3.36Å; L92-R95 PolarHBondContact O-N 2.74Å; L92-S96 PolarHBondContact O-N 3.44Å; L92-I99 HydrophobicContact CB-CG2 4.06Å; L92-P101 HydrophobicContact CD1-CG 4.48Å; L92-T326 HydrophobicContact CD1-CG2 4.14Å; L92-C329 HydrophobicContact CD1-CB 4.07Å; L92-L333 HydrophobicContact CB-CD1 4.3Å; L92-L333 HydrophobicContact CD2-CD1 4.08Å
93	Q	88.3	Confident	88.6	Confident	60 Å²	60	61.2 Å²	61.2	28%	0.28	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-34.9	179	-71.1	172.7	-19.1	0	0	112.6	I89 R95 S96 P97 I99	I89-Q93 HydrophobicContact CG2-CG 4.3Å; I89-Q93 PolarHBondContact O-N 3.43Å; Q93-R95 VanDerWaalsContact C-N 3.26Å; Q93-R95 PolarHBondContact O-N 3.47Å; Q93-S96 CarbonylContact O-C 3.39Å; Q93-S96 PolarHBondContact O-N 3.34Å; Q93-P97 VanDerWaalsContact O-CA 3.28Å; Q93-P97 WeakPolarHBondContact O-CA 3.37Å; Q93-I99 HydrophobicContact CG-CG2 4.49Å
94	R	86.9	Confident	89	Confident	187 Å²	187	56.2 Å²	56.2	71%	0.706	29%	0.288	S	S	*	.	H	α-helix	trans	-66.6	-22	171.3	-80.1	179.4	-65.6	170.6	0	114.3	A90 T91 L92	A90-R94 WeakPolarHBondContact O-CB 3.49Å; A90-R94 WeakPolarHBondContact O-CG 3.45Å; A90-R94 PolarHBondContact O-N 2.87Å; A90-R94 PolarHBondContact O-NE 2.9Å; T91-R94 PolarHBondContact OG1-NH2 3.09Å; L92-R94 VanDerWaalsContact C-N 3.31Å; L92-R94 PolarHBondContact O-N 2.84Å
95	R	80.4	Confident	89.1	Confident	164 Å²	164	53.9 Å²	53.9	62%	0.619	27%	0.271	S	S	*	.	H	α-helix	trans	-95.3	-25.1	176.8	-70	175	178.2	-164.5	-0	112.8	T91 L92 Q93	T91-R95 WeakPolarHBondContact O-CG 3.19Å; T91-R95 PolarHBondContact O-N 3.2Å; L92-R95 CarbonylContact O-C 3.58Å; L92-R95 WeakPolarHBondContact O-CA 3.45Å; L92-R95 WeakPolarHBondContact O-CB 3.36Å; L92-R95 PolarHBondContact O-N 2.74Å; Q93-R95 VanDerWaalsContact C-N 3.26Å; Q93-R95 PolarHBondContact O-N 3.47Å
96	S	81.4	Confident	89.2	Confident	38 Å²	38	53.8 Å²	53.8	27%	0.266	27%	0.271	S	S	.	.			trans	-152.4	89.2	-178.3	-58.7	0	0	0	0	108.7	L92 Q93 D98 I99	L92-S96 PolarHBondContact O-N 3.44Å; Q93-S96 CarbonylContact O-C 3.39Å; Q93-S96 PolarHBondContact O-N 3.34Å; S96-D98 PolarHBondContact O-N 3.06Å; S96-D98 VanDerWaalsContact O-N 3.13Å; S96-I99 WeakPolarHBondContact O-CG2 3.26Å; S96-I99 PolarHBondContact O-N 3.44Å
97	P	82.4	Confident	89.1	Confident	97 Å²	97	50.2 Å²	50.2	63%	0.63	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.9	-171.3	-29.6	37.5	0	0	0	114.8	Q93 I99	Q93-P97 VanDerWaalsContact O-CA 3.28Å; Q93-P97 WeakPolarHBondContact O-CA 3.37Å; P97-I99 VanDerWaalsContact C-N 3.28Å; P97-I99 PolarHBondContact O-N 3.28Å
98	D	80.6	Confident	88.8	Confident	133 Å²	133	45.8 Å²	45.8	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.2	180	-49.4	-81.6	0	0	0	113.7	S96 Q100	S96-D98 PolarHBondContact O-N 3.06Å; S96-D98 VanDerWaalsContact O-N 3.13Å; D98-Q100 PolarHBondContact O-N 3.07Å
99	I	84	Confident	88.1	Confident	20 Å²	20	44.9 Å²	44.9	10%	0.103	23%	0.229	C	C	.	.			trans	-75.8	126.2	-179.5	-153.3	66.9	0	0	0	111.2	L92 Q93 S96 P97 C329 W332 L333	L92-I99 HydrophobicContact CB-CG2 4.06Å; Q93-I99 HydrophobicContact CG-CG2 4.49Å; S96-I99 WeakPolarHBondContact O-CG2 3.26Å; S96-I99 PolarHBondContact O-N 3.44Å; P97-I99 VanDerWaalsContact C-N 3.28Å; P97-I99 PolarHBondContact O-N 3.28Å; I99-C329 VanDerWaalsContact CG1-SG 3.58Å; I99-W332 HydrophobicContact CD1-CE3 4.46Å; I99-W332 HydrophobicContact CD1-CZ3 3.89Å; I99-L333 HydrophobicContact CB-CD1 4.45Å; I99-L333 HydrophobicContact CD1-CD2 4.15Å; I99-L333 HydrophobicContact CG1-CD1 4.07Å; I99-L333 HydrophobicContact CG1-CD2 4.26Å; I99-L333 HydrophobicContact CG1-CG 4.37Å; I99-L333 HydrophobicContact CG2-CD1 4.17Å
100	Q	87.9	Confident	86.6	Confident	81 Å²	81	53.9 Å²	53.9	38%	0.379	27%	0.272	S	S	.	.			trans	-129.2	100.8	175.3	-63.6	-60.5	-35.1	0	0	107.6	D98 L102	D98-Q100 PolarHBondContact O-N 3.07Å; Q100-L102 PolarHBondContact O-N 3.46Å
101	P	92.8	Very high	85.3	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	27%	0.273	C	S	.	.			trans	-55.4	139.4	177.1	-22.5	32.5	0	0	0	110.3	I89 L92 L127 N128 V325 C329	I89-P101 HydrophobicContact CG1-CG 4.43Å; L92-P101 HydrophobicContact CD1-CG 4.48Å; P101-L127 HydrophobicContact CB-CD1 3.74Å; P101-L127 WeakPolarHBondContact O-CD1 3.36Å; P101-N128 WeakPolarHBondContact O-CB 3.43Å; P101-N128 PolarHBondContact O-N 2.69Å; P101-V325 HydrophobicContact CB-CG1 4.41Å; P101-C329 HydrophobicContact CB-CB 4.13Å; P101-C329 HydrophobicContact CG-CB 4.18Å
102	L	95	Very high	83.8	Confident	24 Å²	24	54.9 Å²	54.9	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.2	-173.6	173.8	62.6	0	0	0	110.6	Q100 V104 N128 K155 V156 H157 G158	Q100-L102 PolarHBondContact O-N 3.46Å; L102-V104 HydrophobicContact CD2-CG2 4.33Å; L102-V104 HydrophobicContact CG-CG2 4.24Å; L102-N128 WeakPolarHBondContact CA-O 3.24Å; L102-N128 HydrophobicContact CB-CB 4.46Å; L102-N128 HydrophobicContact CD1-CB 3.79Å; L102-K155 VanDerWaalsContact CB-O 3.3Å; L102-K155 WeakPolarHBondContact CB-O 3.45Å; L102-V156 HydrophobicContact CD2-CG2 4.1Å; L102-H157 PolarHBondContact N-ND1 3.32Å; L102-H157 PolarHBondContact O-N 2.97Å; L102-G158 PolarHBondContact O-N 3.11Å
103	L	96.3	Very high	82.9	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.9	164.4	175.6	59.4	0	0	0	109.3	I105 L127 N128 V129 T130 G158 F160 V182 R321 V325	L103-I105 HydrophobicContact CD2-CD1 4.46Å; L103-I105 HydrophobicContact CD2-CG1 4.3Å; L103-I105 HydrophobicContact CG-CG1 4.2Å; L103-L127 HydrophobicContact CB-CD2 4.42Å; L103-N128 PolarHBondContact N-O 3.5Å; L103-V129 HydrophobicContact CB-CG2 4.35Å; L103-V129 WeakPolarHBondContact O-CA 3.21Å; L103-T130 PolarHBondContact O-N 3.14Å; L103-G158 WeakPolarHBondContact CA-O 3.41Å; L103-F160 HydrophobicContact CD1-CB 4.02Å; L103-V182 HydrophobicContact CD1-CG2 4.06Å; L103-R321 HydrophobicContact CD2-CG 4.19Å; L103-V325 HydrophobicContact CB-CG2 4Å; L103-V325 HydrophobicContact CD1-CG2 3.9Å; L103-V325 HydrophobicContact CG-CG2 4.39Å
104	V	96.5	Very high	81.9	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.6	164.5	-179.2	0	0	0	0	109.8	L102 T130 I132 L150 V156 G158 V159 F160	L102-V104 HydrophobicContact CD2-CG2 4.33Å; L102-V104 HydrophobicContact CG-CG2 4.24Å; V104-T130 WeakPolarHBondContact CA-O 3.4Å; V104-I132 HydrophobicContact CG1-CD1 4.06Å; V104-I132 HydrophobicContact CG1-CG1 4.07Å; V104-L150 HydrophobicContact CB-CD1 4.3Å; V104-L150 HydrophobicContact CB-CD2 4.06Å; V104-L150 HydrophobicContact CG1-CD1 3.78Å; V104-L150 HydrophobicContact CG1-CD2 3.79Å; V104-L150 HydrophobicContact CG1-CG 4.46Å; V104-L150 HydrophobicContact CG2-CD2 3.91Å; V104-V156 HydrophobicContact CB-CG1 4.33Å; V104-V156 HydrophobicContact CG2-CB 4.44Å; V104-V156 HydrophobicContact CG2-CG1 3.86Å; V104-V156 HydrophobicContact CG2-CG2 3.74Å; V104-G158 PolarHBondContact N-O 3.39Å; V104-V159 CarbonylContact O-C 3.46Å; V104-V159 VanDerWaalsContact O-CA 3.31Å; V104-V159 WeakPolarHBondContact O-CA 3.31Å; V104-F160 PolarHBondContact O-N 2.99Å
105	I	93.7	Very high	81.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.9	173	-58.3	-177.8	0	0	0	107.4	L103 L115 N118 V129 T130 Q131 I132 F160 H162	L103-I105 HydrophobicContact CD2-CD1 4.46Å; L103-I105 HydrophobicContact CD2-CG1 4.3Å; L103-I105 HydrophobicContact CG-CG1 4.2Å; I105-L115 HydrophobicContact CD1-CD1 4.18Å; I105-N118 HydrophobicContact CD1-CB 3.82Å; I105-V129 HydrophobicContact CD1-CG1 3.82Å; I105-V129 HydrophobicContact CG1-CG1 4.13Å; I105-T130 PolarHBondContact N-O 3.13Å; I105-Q131 WeakPolarHBondContact O-CA 3.27Å; I105-I132 PolarHBondContact O-N 3.49Å; I105-F160 HydrophobicContact CD1-CD1 4.33Å; I105-F160 HydrophobicContact CG1-CB 4.44Å; I105-F160 HydrophobicContact CG1-CD1 4.1Å; I105-F160 HydrophobicContact CG2-CD1 3.92Å; I105-F160 HydrophobicContact CG2-CE1 4.47Å; I105-H162 HydrophobicContact CG2-CB 4.16Å
106	L	92.8	Very high	81.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.5	173.7	-175.1	64.5	0	0	0	108.4	I132 L134 I143 E146 L147 V159 F160 L161 H162	L106-I132 HydrophobicContact CD1-CB 3.82Å; L106-I132 HydrophobicContact CD1-CG2 3.64Å; L106-L134 HydrophobicContact CD1-CD1 4Å; L106-L134 HydrophobicContact CD1-CG 4.09Å; L106-L134 HydrophobicContact CG-CD1 4.38Å; L106-I143 HydrophobicContact CD2-CG2 4.18Å; L106-E146 HydrophobicContact CD1-CB 4.04Å; L106-E146 HydrophobicContact CD1-CG 4.47Å; L106-E146 HydrophobicContact CD2-CB 4.31Å; L106-L147 HydrophobicContact CD2-CD2 3.69Å; L106-L147 HydrophobicContact CD2-CG 3.9Å; L106-V159 HydrophobicContact CB-CG1 4.48Å; L106-F160 PolarHBondContact N-O 3.01Å; L106-L161 HydrophobicContact CB-CD2 4.28Å; L106-L161 HydrophobicContact CD2-CD2 4.3Å; L106-H162 PolarHBondContact O-N 3.26Å
107	Q	89.9	Confident	81.5	Confident	3 Å²	3	45 Å²	45	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147	-169.3	174.4	171.1	-0.4	0	0	111.2	G109 N111 I132 L134 H162	Q107-G109 PolarHBondContact NE2-O 3.19Å; Q107-N111 PolarHBondContact NE2-O 3.14Å; Q107-I132 PolarHBondContact N-O 3.47Å; Q107-L134 PolarHBondContact O-N 3.27Å; Q107-H162 WeakPolarHBondContact CA-O 3.42Å; Q107-H162 HydrophobicContact CB-CB 4.36Å
108	A	85.4	Confident	81.7	Confident	13 Å²	13	40.6 Å²	40.6	11%	0.107	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.9	169.2	0	0	0	0	0	110.7	L134 L163	A108-L134 HydrophobicContact CB-CB 4.37Å; A108-L163 HydrophobicContact CB-CD2 3.99Å
109	G	77.4	Confident	81.9	Confident	14 Å²	14	38.6 Å²	38.6	14%	0.144	21%	0.209	C	C	.	.	S	Bend	trans	78.2	174.9	-178.2	0	0	0	0	0	115.6	Q107 N111 L134	Q107-G109 PolarHBondContact NE2-O 3.19Å; G109-N111 PolarHBondContact O-N 3.17Å; G109-L134 PolarHBondContact N-O 2.66Å
110	E	59.3	Low	82	Confident	193 Å²	193	42.2 Å²	42.2	90%	0.902	23%	0.225	S	C	*	.			trans	-93.8	97.1	-168.2	-62.9	-179.2	177.6	0	0	112.2
111	N	61.1	Low	82	Confident	68 Å²	68	38.6 Å²	38.6	36%	0.364	21%	0.208	S	C	.	.			trans	-140.2	119.4	171.2	-92.4	-34.7	0	0	0	110	Q107 G109	Q107-N111 PolarHBondContact NE2-O 3.14Å; G109-N111 PolarHBondContact O-N 3.17Å
112	G	60.4	Low	81.8	Confident	40 Å²	40	38.7 Å²	38.7	41%	0.412	21%	0.209	S	C	.	.			trans	-99.6	-24.2	-166.3	0	0	0	0	0	117.1	L115 E116	G112-L115 WeakPolarHBondContact O-CB 3.34Å; G112-L115 PolarHBondContact O-N 3.48Å; G112-E116 PolarHBondContact O-N 3.27Å
113	S	67.4	Low	81.3	Confident	78 Å²	78	40.8 Å²	40.8	55%	0.545	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-52.6	-166.5	53.7	0	0	0	0	113.7	L115 E116 I117	S113-L115 VanDerWaalsContact C-N 3.32Å; S113-L115 PolarHBondContact O-N 2.97Å; S113-E116 WeakPolarHBondContact O-CB 3.38Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-I117 WeakPolarHBondContact O-CG1 3.5Å; S113-I117 PolarHBondContact O-N 3.2Å; S113-I117 VanDerWaalsContact O-N 3.09Å
114	M	68.9	Low	80.9	Confident	26 Å²	26	47.2 Å²	47.2	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-35.7	179.6	-77.6	-67.5	-81.8	0	0	112.6	I117 N118 A297	M114-I117 PolarHBondContact O-N 2.88Å; M114-N118 PolarHBondContact O-N 3.22Å; M114-N118 VanDerWaalsContact O-N 3.08Å; M114-N118 PolarHBondContact O-ND2 3.48Å; M114-A297 HydrophobicContact CG-CB 4.02Å; M114-A297 HydrophobicContact SD-CB 4.35Å
115	L	75.3	Confident	80.5	Confident	19 Å²	19	47.4 Å²	47.4	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-46.2	173.2	174.1	78.8	0	0	0	111.3	I105 G112 S113 N118 K119 Q131	I105-L115 HydrophobicContact CD1-CD1 4.18Å; G112-L115 WeakPolarHBondContact O-CB 3.34Å; G112-L115 PolarHBondContact O-N 3.48Å; S113-L115 VanDerWaalsContact C-N 3.32Å; S113-L115 PolarHBondContact O-N 2.97Å; L115-N118 PolarHBondContact O-N 2.86Å; L115-K119 HydrophobicContact CD1-CD 4.33Å; L115-K119 HydrophobicContact CG-CD 4.11Å; L115-K119 WeakPolarHBondContact O-CB 3.33Å; L115-K119 WeakPolarHBondContact O-CG 3.28Å; L115-K119 PolarHBondContact O-N 2.91Å; L115-Q131 HydrophobicContact CD1-CB 3.94Å; L115-Q131 VanDerWaalsContact CD1-CD 3.42Å; L115-Q131 HydrophobicContact CD1-CG 3.78Å
116	E	80.8	Confident	80.2	Confident	101 Å²	101	49.1 Å²	49.1	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-43	176.8	-82.1	-166.3	-152.9	0	0	112.5	G112 S113 K119 K120	G112-E116 PolarHBondContact O-N 3.27Å; S113-E116 WeakPolarHBondContact O-CB 3.38Å; S113-E116 PolarHBondContact O-N 3.34Å; E116-K119 PolarHBondContact O-N 2.92Å; E116-K120 WeakPolarHBondContact O-CB 3.47Å; E116-K120 WeakPolarHBondContact O-CD 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.21Å; E116-K120 PolarHBondContact O-N 3.28Å; E116-K120 WeakPolarHBondContact OE2-CE 3.43Å; E116-K120 IonicContact OE2-NZ 3.89Å; E116-K120 PolarHBondContact OE2-NZ 3.47Å
117	I	84	Confident	80.1	Confident	26 Å²	26	49.6 Å²	49.6	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-48.2	178.6	-66.9	170.9	0	0	0	110.2	S113 M114 K119 K120 V121 A314 Y315 A318	S113-I117 WeakPolarHBondContact O-CG1 3.5Å; S113-I117 PolarHBondContact O-N 3.2Å; S113-I117 VanDerWaalsContact O-N 3.09Å; M114-I117 PolarHBondContact O-N 2.88Å; I117-K119 PolarHBondContact O-N 3Å; I117-K120 PolarHBondContact O-N 3.08Å; I117-V121 WeakPolarHBondContact O-CB 3.25Å; I117-V121 WeakPolarHBondContact O-CG2 3.46Å; I117-V121 PolarHBondContact O-N 3.46Å; I117-A314 HydrophobicContact CD1-CB 3.82Å; I117-Y315 HydrophobicContact CG1-CE1 4.49Å; I117-Y315 HydrophobicContact CG2-CD1 3.81Å; I117-Y315 HydrophobicContact CG2-CE1 4Å; I117-Y315 HydrophobicContact CG2-CG 4.21Å; I117-A318 HydrophobicContact CG2-CB 3.85Å
118	N	86.3	Confident	80.2	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-41.1	176.6	-74.4	-87.2	0	0	0	112	I105 M114 L115 V121 A122 R321	I105-N118 HydrophobicContact CD1-CB 3.82Å; M114-N118 PolarHBondContact O-N 3.22Å; M114-N118 VanDerWaalsContact O-N 3.08Å; M114-N118 PolarHBondContact O-ND2 3.48Å; L115-N118 PolarHBondContact O-N 2.86Å; N118-V121 PolarHBondContact O-N 3.17Å; N118-A122 WeakPolarHBondContact O-CB 3.5Å; N118-A122 PolarHBondContact O-N 2.95Å; N118-R321 PolarHBondContact ND2-NH1 3.29Å; N118-R321 PolarHBondContact OD1-NH1 3.48Å
119	K	85.4	Confident	80.6	Confident	91 Å²	91	54.3 Å²	54.3	40%	0.396	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-42.9	175.2	-75.1	176.1	-179.4	170.4	0	112.7	L115 E116 I117 A122 G123 V129	L115-K119 HydrophobicContact CD1-CD 4.33Å; L115-K119 HydrophobicContact CG-CD 4.11Å; L115-K119 WeakPolarHBondContact O-CB 3.33Å; L115-K119 WeakPolarHBondContact O-CG 3.28Å; L115-K119 PolarHBondContact O-N 2.91Å; E116-K119 PolarHBondContact O-N 2.92Å; I117-K119 PolarHBondContact O-N 3Å; K119-A122 PolarHBondContact O-N 3.24Å; K119-G123 PolarHBondContact O-N 3.45Å; K119-V129 HydrophobicContact CG-CG1 4.37Å
120	K	85.9	Confident	81.3	Confident	97 Å²	97	57 Å²	57	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-40.4	177.4	-72.8	163.8	-169.8	168.4	0	111.8	E116 I117 K124 Y315	E116-K120 WeakPolarHBondContact O-CB 3.47Å; E116-K120 WeakPolarHBondContact O-CD 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.21Å; E116-K120 PolarHBondContact O-N 3.28Å; E116-K120 WeakPolarHBondContact OE2-CE 3.43Å; E116-K120 IonicContact OE2-NZ 3.89Å; E116-K120 PolarHBondContact OE2-NZ 3.47Å; I117-K120 PolarHBondContact O-N 3.08Å; K120-K124 PolarHBondContact O-N 2.94Å; K120-Y315 HydrophobicContact CB-CE1 4.33Å
121	V	87.6	Confident	82.9	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-49.6	174.6	165.6	0	0	0	0	111.3	I117 N118 G123 K124 I125 Y315 A318 V319 A322	I117-V121 WeakPolarHBondContact O-CB 3.25Å; I117-V121 WeakPolarHBondContact O-CG2 3.46Å; I117-V121 PolarHBondContact O-N 3.46Å; N118-V121 PolarHBondContact O-N 3.17Å; V121-G123 VanDerWaalsContact C-N 3.34Å; V121-G123 PolarHBondContact O-N 3.4Å; V121-K124 WeakPolarHBondContact O-CB 3.4Å; V121-K124 PolarHBondContact O-N 2.99Å; V121-K124 VanDerWaalsContact O-N 3.08Å; V121-I125 HydrophobicContact CG1-CD1 3.63Å; V121-I125 HydrophobicContact CG1-CG1 4.45Å; V121-I125 PolarHBondContact O-N 3.37Å; V121-Y315 HydrophobicContact CG2-CD1 3.76Å; V121-Y315 HydrophobicContact CG2-CE1 4.4Å; V121-A318 HydrophobicContact CB-CB 4.28Å; V121-A318 HydrophobicContact CG1-CB 4.48Å; V121-A318 HydrophobicContact CG2-CB 3.95Å; V121-V319 HydrophobicContact CB-CG2 4.42Å; V121-V319 HydrophobicContact CG1-CB 4.3Å; V121-V319 HydrophobicContact CG1-CG2 3.59Å; V121-V319 HydrophobicContact CG2-CG2 3.91Å; V121-A322 HydrophobicContact CG1-CB 4.28Å
122	A	87.6	Confident	84.4	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-39.1	-177.5	0	0	0	0	0	112.6	N118 K119 K124 I125 G126 L127 V129	N118-A122 WeakPolarHBondContact O-CB 3.5Å; N118-A122 PolarHBondContact O-N 2.95Å; K119-A122 PolarHBondContact O-N 3.24Å; A122-K124 VanDerWaalsContact C-N 3.29Å; A122-K124 PolarHBondContact O-N 2.98Å; A122-I125 PolarHBondContact O-N 2.98Å; A122-I125 VanDerWaalsContact O-N 3.12Å; A122-G126 PolarHBondContact O-N 3.22Å; A122-L127 HydrophobicContact CB-CB 3.89Å; A122-L127 HydrophobicContact CB-CD2 4.1Å; A122-L127 HydrophobicContact CB-CG 4.07Å; A122-L127 WeakPolarHBondContact CB-O 3.44Å; A122-L127 PolarHBondContact O-N 3.21Å; A122-V129 HydrophobicContact CB-CG2 3.27Å
123	G	85.5	Confident	85.8	Confident	67 Å²	67	51.6 Å²	51.6	69%	0.691	30%	0.295	S	S	*	.	H	α-helix	trans	-64.9	-26.1	173.4	0	0	0	0	0	114.4	K119 V121	K119-G123 PolarHBondContact O-N 3.45Å; V121-G123 VanDerWaalsContact C-N 3.34Å; V121-G123 PolarHBondContact O-N 3.4Å
124	K	86.8	Confident	86.9	Confident	138 Å²	138	49.3 Å²	49.3	60%	0.6	28%	0.276	S	S	*	.	H	α-helix	trans	-76.1	-40.6	167.9	-73.3	-179.6	175.7	-175.2	0	111.9	Q86 K120 V121 A122	Q86-K124 PolarHBondContact NE2-O 3.14Å; K120-K124 PolarHBondContact O-N 2.94Å; V121-K124 WeakPolarHBondContact O-CB 3.4Å; V121-K124 PolarHBondContact O-N 2.99Å; V121-K124 VanDerWaalsContact O-N 3.08Å; A122-K124 VanDerWaalsContact C-N 3.29Å; A122-K124 PolarHBondContact O-N 2.98Å
125	I	88.5	Confident	87.8	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-78.5	-24.8	-172.9	-76.1	176	0	0	0	113.2	V82 T85 I89 V121 A122 L127 V319 A322	V82-I125 HydrophobicContact CB-CG1 4.36Å; V82-I125 HydrophobicContact CG1-CG1 4.03Å; V82-I125 HydrophobicContact CG2-CD1 4.11Å; V82-I125 HydrophobicContact CG2-CG1 4.06Å; T85-I125 HydrophobicContact CG2-CD1 4.2Å; T85-I125 HydrophobicContact CG2-CG2 3.67Å; I89-I125 HydrophobicContact CD1-CG2 3.48Å; I89-I125 VanDerWaalsContact CD1-CG2 3.48Å; V121-I125 HydrophobicContact CG1-CD1 3.63Å; V121-I125 HydrophobicContact CG1-CG1 4.45Å; V121-I125 PolarHBondContact O-N 3.37Å; A122-I125 PolarHBondContact O-N 2.98Å; A122-I125 VanDerWaalsContact O-N 3.12Å; I125-L127 HydrophobicContact CG2-CB 4.09Å; I125-V319 HydrophobicContact CD1-CG1 4.31Å; I125-A322 HydrophobicContact CD1-CB 3.62Å
126	G	86.9	Confident	88.1	Confident	39 Å²	39	57.8 Å²	57.8	40%	0.402	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	28.7	-170.2	0	0	0	0	0	113.1	A122	A122-G126 PolarHBondContact O-N 3.22Å
127	L	91.8	Very high	88.2	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.052	34%	0.341	C	S	.	.			trans	-101	139.6	178.6	170.4	68.1	0	0	0	110.1	I89 P101 L103 A122 I125 A322 V325	I89-L127 HydrophobicContact CD1-CB 4.25Å; P101-L127 HydrophobicContact CB-CD1 3.74Å; P101-L127 WeakPolarHBondContact O-CD1 3.36Å; L103-L127 HydrophobicContact CB-CD2 4.42Å; A122-L127 HydrophobicContact CB-CB 3.89Å; A122-L127 HydrophobicContact CB-CD2 4.1Å; A122-L127 HydrophobicContact CB-CG 4.07Å; A122-L127 WeakPolarHBondContact CB-O 3.44Å; A122-L127 PolarHBondContact O-N 3.21Å; I125-L127 HydrophobicContact CG2-CB 4.09Å; L127-A322 HydrophobicContact CD2-CB 3.54Å; L127-V325 HydrophobicContact CD1-CB 4.35Å; L127-V325 HydrophobicContact CD1-CG1 3.71Å
128	N	92.9	Very high	88.4	Confident	82 Å²	82	59.8 Å²	59.8	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.4	170.8	-74.4	-30.6	0	0	0	111.4	P101 L102 L103	P101-N128 WeakPolarHBondContact O-CB 3.43Å; P101-N128 PolarHBondContact O-N 2.69Å; L102-N128 WeakPolarHBondContact CA-O 3.24Å; L102-N128 HydrophobicContact CB-CB 4.46Å; L102-N128 HydrophobicContact CD1-CB 3.79Å; L103-N128 PolarHBondContact N-O 3.5Å
129	V	92.8	Very high	88.7	Confident	32 Å²	32	61.9 Å²	61.9	19%	0.194	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.8	175.4	-177.8	0	0	0	0	110.2	L103 I105 K119 A122	L103-V129 HydrophobicContact CB-CG2 4.35Å; L103-V129 WeakPolarHBondContact O-CA 3.21Å; I105-V129 HydrophobicContact CD1-CG1 3.82Å; I105-V129 HydrophobicContact CG1-CG1 4.13Å; K119-V129 HydrophobicContact CG-CG1 4.37Å; A122-V129 HydrophobicContact CB-CG2 3.27Å
130	T	92.9	Very high	89.1	Confident	70 Å²	70	60.4 Å²	60.4	43%	0.429	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.7	169.8	-61.8	0	0	0	0	109.7	L103 V104 I105	L103-T130 PolarHBondContact O-N 3.14Å; V104-T130 WeakPolarHBondContact CA-O 3.4Å; I105-T130 PolarHBondContact N-O 3.13Å
131	Q	91.5	Very high	89.5	Confident	61 Å²	61	59.6 Å²	59.6	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.5	178.2	-174.8	-172.6	10.2	0	0	108.8	I105 L115 C133	I105-Q131 WeakPolarHBondContact O-CA 3.27Å; L115-Q131 HydrophobicContact CD1-CB 3.94Å; L115-Q131 VanDerWaalsContact CD1-CD 3.42Å; L115-Q131 HydrophobicContact CD1-CG 3.78Å; Q131-C133 VanDerWaalsContact CD-SG 3.53Å; Q131-C133 PolarHBondContact NE2-SG 2.86Å; Q131-C133 VanDerWaalsContact NE2-SG 3.37Å
132	I	92.4	Very high	89.8	Confident	42 Å²	42	63.9 Å²	63.9	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.4	169.8	-62.4	-177.5	0	0	0	107.2	V104 I105 L106 Q107 E146 L150	V104-I132 HydrophobicContact CG1-CD1 4.06Å; V104-I132 HydrophobicContact CG1-CG1 4.07Å; I105-I132 PolarHBondContact O-N 3.49Å; L106-I132 HydrophobicContact CD1-CB 3.82Å; L106-I132 HydrophobicContact CD1-CG2 3.64Å; Q107-I132 PolarHBondContact N-O 3.47Å; I132-E146 HydrophobicContact CG2-CG 4.47Å; I132-L150 HydrophobicContact CD1-CD1 4.3Å; I132-L150 HydrophobicContact CD1-CD2 3.9Å; I132-L150 HydrophobicContact CD1-CG 4.35Å
133	C	90.5	Very high	90.2	Very high	86 Å²	86	63.8 Å²	63.8	58%	0.581	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	109.8	180	-60.1	0	0	0	0	110.2	Q131	Q131-C133 VanDerWaalsContact CD-SG 3.53Å; Q131-C133 PolarHBondContact NE2-SG 2.86Å; Q131-C133 VanDerWaalsContact NE2-SG 3.37Å
134	L	90.1	Very high	90.6	Very high	29 Å²	29	61.8 Å²	61.8	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	157.2	165.5	-63.4	176.6	0	0	0	110.5	L106 Q107 A108 G109 C138 I143 E146	L106-L134 HydrophobicContact CD1-CD1 4Å; L106-L134 HydrophobicContact CD1-CG 4.09Å; L106-L134 HydrophobicContact CG-CD1 4.38Å; Q107-L134 PolarHBondContact O-N 3.27Å; A108-L134 HydrophobicContact CB-CB 4.37Å; G109-L134 PolarHBondContact N-O 2.66Å; L134-C138 HydrophobicContact CB-CB 3.97Å; L134-C138 HydrophobicContact CD1-CB 4.44Å; L134-I143 HydrophobicContact CD1-CB 4.32Å; L134-I143 HydrophobicContact CD1-CG1 3.63Å; L134-E146 HydrophobicContact CD2-CG 3.99Å
135	A	87.6	Confident	91	Very high	68 Å²	68	60.5 Å²	60.5	56%	0.562	34%	0.338	S	S	*	.			trans	-59.4	146.7	172.6	0	0	0	0	0	110.8	N137 C138	A135-N137 PolarHBondContact O-N 2.77Å; A135-C138 WeakPolarHBondContact O-CB 3.45Å; A135-C138 PolarHBondContact O-N 3.5Å; A135-C138 PolarHBondContact O-SG 3.17Å; A135-C138 VanDerWaalsContact O-SG 3.38Å
136	K	81.8	Confident	91.4	Very high	156 Å²	156	62.4 Å²	62.4	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.8	-179.8	-172.4	170.6	-179.3	172.9	0	113.4
137	N	84.1	Confident	91.8	Very high	151 Å²	151	60.5 Å²	60.5	81%	0.807	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	26.6	-179.2	-57.2	5.9	0	0	0	112.5	A135	A135-N137 PolarHBondContact O-N 2.77Å
138	C	88.1	Confident	91.8	Very high	17 Å²	17	64.2 Å²	64.2	12%	0.115	35%	0.346	C	S	.	.			trans	-61.9	144.2	179.3	61.7	0	0	0	0	112.2	L134 A135	L134-C138 HydrophobicContact CB-CB 3.97Å; L134-C138 HydrophobicContact CD1-CB 4.44Å; A135-C138 WeakPolarHBondContact O-CB 3.45Å; A135-C138 PolarHBondContact O-N 3.5Å; A135-C138 PolarHBondContact O-SG 3.17Å; A135-C138 VanDerWaalsContact O-SG 3.38Å
139	S	92.8	Very high	91.8	Very high	49 Å²	49	65.2 Å²	65.2	34%	0.343	35%	0.347	S	S	.	.			trans	-72.1	161.3	175.9	63.9	0	0	0	0	112.7	D141 E142 I143	S139-D141 PolarHBondContact O-N 3.36Å; S139-E142 VanDerWaalsContact CB-OE2 3.32Å; S139-E142 WeakPolarHBondContact CB-OE2 3.3Å; S139-E142 PolarHBondContact N-OE2 2.89Å; S139-E142 PolarHBondContact O-N 3.17Å; S139-E142 WeakPolarHBondContact OG-CB 3.29Å; S139-E142 VanDerWaalsContact OG-CG 3.28Å; S139-E142 WeakPolarHBondContact OG-CG 3.48Å; S139-E142 PolarHBondContact OG-N 3.39Å; S139-E142 PolarHBondContact OG-OE2 3.45Å; S139-I143 WeakPolarHBondContact O-CG1 3.29Å; S139-I143 PolarHBondContact O-N 3.25Å
140	E	93.7	Very high	91.9	Very high	60 Å²	60	64.2 Å²	64.2	28%	0.28	34%	0.341	S	S	.	.	H	α-helix	trans	-58.5	-36.8	173.8	-167	-178.4	-155.4	0	0	111.9	I143 I144 T169 R171 V172	E140-I143 PolarHBondContact O-N 2.92Å; E140-I144 HydrophobicContact CG-CD1 4.19Å; E140-I144 WeakPolarHBondContact O-CD1 3.4Å; E140-I144 VanDerWaalsContact O-CG1 3.28Å; E140-I144 WeakPolarHBondContact O-CG1 3.29Å; E140-I144 PolarHBondContact O-N 3.47Å; E140-I144 VanDerWaalsContact O-N 3.1Å; E140-T169 HydrophobicContact CG-CG2 4.43Å; E140-T169 WeakPolarHBondContact OE1-CB 3.39Å; E140-T169 VanDerWaalsContact OE1-CG2 3.24Å; E140-T169 WeakPolarHBondContact OE1-CG2 3.27Å; E140-T169 PolarHBondContact OE1-OG1 3.09Å; E140-R171 WeakPolarHBondContact OE1-CB 3.47Å; E140-R171 WeakPolarHBondContact OE1-CD 3.42Å; E140-R171 WeakPolarHBondContact OE2-CD 3.23Å; E140-R171 IonicContact OE2-CZ 2.7Å; E140-R171 IonicContact OE2-NE 3.2Å; E140-R171 IonicContact OE2-NH1 3.94Å; E140-R171 PolarHBondContact OE2-NH1 3.41Å; E140-V172 HydrophobicContact CG-CG2 3.75Å
141	D	94.4	Very high	91.8	Very high	81 Å²	81	61.2 Å²	61.2	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-75.8	-35.9	-177.7	-59.2	-46.1	0	0	0	112.3	S139 I143 I144 E145 R171	S139-D141 PolarHBondContact O-N 3.36Å; D141-I143 VanDerWaalsContact C-N 3.32Å; D141-I143 PolarHBondContact O-N 2.96Å; D141-I144 PolarHBondContact O-N 3.43Å; D141-E145 PolarHBondContact O-N 3.48Å; D141-R171 IonicContact OD1-CZ 2.77Å; D141-R171 VanDerWaalsContact OD1-CZ 3.25Å; D141-R171 IonicContact OD1-NH1 3.74Å; D141-R171 PolarHBondContact OD1-NH1 2.96Å; D141-R171 IonicContact OD1-NH2 3.59Å; D141-R171 PolarHBondContact OD1-NH2 3.3Å
142	E	94.1	Very high	91.6	Very high	94 Å²	94	61.9 Å²	61.9	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-38.9	171.1	-76.9	164.4	115.1	0	0	112.2	S139 E145 E146	S139-E142 VanDerWaalsContact CB-OE2 3.32Å; S139-E142 WeakPolarHBondContact CB-OE2 3.3Å; S139-E142 PolarHBondContact N-OE2 2.89Å; S139-E142 PolarHBondContact O-N 3.17Å; S139-E142 WeakPolarHBondContact OG-CB 3.29Å; S139-E142 VanDerWaalsContact OG-CG 3.28Å; S139-E142 WeakPolarHBondContact OG-CG 3.48Å; S139-E142 PolarHBondContact OG-N 3.39Å; S139-E142 PolarHBondContact OG-OE2 3.45Å; E142-E145 PolarHBondContact O-N 2.96Å; E142-E146 PolarHBondContact O-N 2.9Å
143	I	94.6	Very high	91.3	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-45.7	174.1	-63.1	162.4	0	0	0	109.9	L106 L134 S139 E140 D141 E145 E146 L147 L163 V172	L106-I143 HydrophobicContact CD2-CG2 4.18Å; L134-I143 HydrophobicContact CD1-CB 4.32Å; L134-I143 HydrophobicContact CD1-CG1 3.63Å; S139-I143 WeakPolarHBondContact O-CG1 3.29Å; S139-I143 PolarHBondContact O-N 3.25Å; E140-I143 PolarHBondContact O-N 2.92Å; D141-I143 VanDerWaalsContact C-N 3.32Å; D141-I143 PolarHBondContact O-N 2.96Å; I143-E145 PolarHBondContact O-N 3.48Å; I143-E146 PolarHBondContact O-N 2.94Å; I143-L147 HydrophobicContact CG2-CD1 4.04Å; I143-L147 HydrophobicContact CG2-CG 4.47Å; I143-L147 VanDerWaalsContact O-CG 3.32Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 3.19Å; I143-L163 HydrophobicContact CD1-CD1 4.31Å; I143-L163 HydrophobicContact CG2-CD1 3.64Å; I143-V172 HydrophobicContact CB-CG2 4.37Å; I143-V172 HydrophobicContact CG2-CG1 3.7Å; I143-V172 HydrophobicContact CG2-CG2 4.03Å
144	I	95.5	Very high	90.9	Very high	25 Å²	25	61.4 Å²	61.4	13%	0.128	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-39.4	179.3	-69.8	166.2	0	0	0	111.2	E140 D141 L147 L148 R171 V172 A175	E140-I144 HydrophobicContact CG-CD1 4.19Å; E140-I144 WeakPolarHBondContact O-CD1 3.4Å; E140-I144 VanDerWaalsContact O-CG1 3.28Å; E140-I144 WeakPolarHBondContact O-CG1 3.29Å; E140-I144 PolarHBondContact O-N 3.47Å; E140-I144 VanDerWaalsContact O-N 3.1Å; D141-I144 PolarHBondContact O-N 3.43Å; I144-L147 PolarHBondContact O-N 3.1Å; I144-L148 HydrophobicContact CG2-CD1 4.07Å; I144-L148 HydrophobicContact CG2-CG 4.37Å; I144-L148 WeakPolarHBondContact O-CG 3.43Å; I144-L148 PolarHBondContact O-N 2.61Å; I144-R171 HydrophobicContact CD1-CB 3.89Å; I144-V172 HydrophobicContact CD1-CG2 4.41Å; I144-V172 HydrophobicContact CG1-CG2 4.12Å; I144-A175 HydrophobicContact CB-CB 4.43Å; I144-A175 HydrophobicContact CG1-CB 3.96Å; I144-A175 HydrophobicContact CG2-CB 4.07Å
145	E	94.6	Very high	90.8	Very high	112 Å²	112	67.1 Å²	67.1	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-60.7	-43.9	175.6	-80.6	-166.4	-162.4	0	0	112.9	D141 E142 I143 L148 K149	D141-E145 PolarHBondContact O-N 3.48Å; E142-E145 PolarHBondContact O-N 2.96Å; I143-E145 PolarHBondContact O-N 3.48Å; E145-L148 PolarHBondContact O-N 3.23Å; E145-K149 WeakPolarHBondContact O-CD 3.26Å; E145-K149 VanDerWaalsContact O-CE 3.27Å; E145-K149 WeakPolarHBondContact O-CE 3.29Å; E145-K149 VanDerWaalsContact O-CG 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.48Å; E145-K149 PolarHBondContact O-N 3.44Å; E145-K149 VanDerWaalsContact O-N 3.15Å; E145-K149 IonicContact OE2-NZ 3.84Å
146	E	95.8	Very high	91.1	Very high	45 Å²	45	64 Å²	64	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-37.8	174	-70.7	-51.7	125.1	0	0	112	L106 I132 L134 E142 I143 L148 K149 L150	L106-E146 HydrophobicContact CD1-CB 4.04Å; L106-E146 HydrophobicContact CD1-CG 4.47Å; L106-E146 HydrophobicContact CD2-CB 4.31Å; I132-E146 HydrophobicContact CG2-CG 4.47Å; L134-E146 HydrophobicContact CD2-CG 3.99Å; E142-E146 PolarHBondContact O-N 2.9Å; I143-E146 PolarHBondContact O-N 2.94Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.82Å; E146-K149 PolarHBondContact O-N 3.31Å; E146-K149 WeakPolarHBondContact OE1-CD 3.47Å; E146-K149 IonicContact OE1-NZ 2.79Å; E146-K149 PolarHBondContact OE1-NZ 2.88Å; E146-L150 WeakPolarHBondContact O-CB 3.48Å; E146-L150 VanDerWaalsContact O-CG 3.29Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 3.44Å
147	L	95.3	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-38.6	175.3	-69.1	174.5	0	0	0	112.6	L106 I143 I144 L150 N151 V159 L161 V172 A175 L176	L106-L147 HydrophobicContact CD2-CD2 3.69Å; L106-L147 HydrophobicContact CD2-CG 3.9Å; I143-L147 HydrophobicContact CG2-CD1 4.04Å; I143-L147 HydrophobicContact CG2-CG 4.47Å; I143-L147 VanDerWaalsContact O-CG 3.32Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 3.19Å; I144-L147 PolarHBondContact O-N 3.1Å; L147-L150 PolarHBondContact O-N 3.27Å; L147-N151 VanDerWaalsContact O-CB 3.29Å; L147-N151 WeakPolarHBondContact O-CB 3.47Å; L147-N151 PolarHBondContact O-N 3.16Å; L147-N151 PolarHBondContact O-ND2 2.85Å; L147-N151 PolarHBondContact O-OD1 3.33Å; L147-V159 HydrophobicContact CD2-CG1 4.11Å; L147-L161 HydrophobicContact CD2-CD2 3.56Å; L147-V172 HydrophobicContact CD1-CG1 3.94Å; L147-A175 HydrophobicContact CB-CB 4.45Å; L147-A175 HydrophobicContact CD1-CB 4.17Å; L147-L176 HydrophobicContact CD2-CD1 4.36Å
148	L	93.1	Very high	92.2	Very high	87 Å²	87	49.9 Å²	49.9	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-41.2	174	-68.4	171.1	0	0	0	111.7	I144 E145 E146 L150 N151 D152	I144-L148 HydrophobicContact CG2-CD1 4.07Å; I144-L148 HydrophobicContact CG2-CG 4.37Å; I144-L148 WeakPolarHBondContact O-CG 3.43Å; I144-L148 PolarHBondContact O-N 2.61Å; E145-L148 PolarHBondContact O-N 3.23Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.82Å; L148-L150 PolarHBondContact O-N 3.18Å; L148-N151 WeakPolarHBondContact O-CB 2.98Å; L148-N151 PolarHBondContact O-N 3.35Å; L148-D152 PolarHBondContact O-N 3.04Å
149	K	92.5	Very high	92.6	Very high	103 Å²	103	49.1 Å²	49.1	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-43.8	174	-64.5	160	-152.5	167.8	0	111.5	E145 E146 D152 D153	E145-K149 WeakPolarHBondContact O-CD 3.26Å; E145-K149 VanDerWaalsContact O-CE 3.27Å; E145-K149 WeakPolarHBondContact O-CE 3.29Å; E145-K149 VanDerWaalsContact O-CG 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.48Å; E145-K149 PolarHBondContact O-N 3.44Å; E145-K149 VanDerWaalsContact O-N 3.15Å; E145-K149 IonicContact OE2-NZ 3.84Å; E146-K149 PolarHBondContact O-N 3.31Å; E146-K149 WeakPolarHBondContact OE1-CD 3.47Å; E146-K149 IonicContact OE1-NZ 2.79Å; E146-K149 PolarHBondContact OE1-NZ 2.88Å; K149-D152 PolarHBondContact O-N 3.27Å; K149-D153 PolarHBondContact O-N 3.31Å
150	L	94.5	Very high	92.6	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-71	-28.6	178.2	-67.8	177.4	0	0	0	113.6	V104 I132 E146 L147 L148 D152 V156 V159 K180	V104-L150 HydrophobicContact CB-CD1 4.3Å; V104-L150 HydrophobicContact CB-CD2 4.06Å; V104-L150 HydrophobicContact CG1-CD1 3.78Å; V104-L150 HydrophobicContact CG1-CD2 3.79Å; V104-L150 HydrophobicContact CG1-CG 4.46Å; V104-L150 HydrophobicContact CG2-CD2 3.91Å; I132-L150 HydrophobicContact CD1-CD1 4.3Å; I132-L150 HydrophobicContact CD1-CD2 3.9Å; I132-L150 HydrophobicContact CD1-CG 4.35Å; E146-L150 WeakPolarHBondContact O-CB 3.48Å; E146-L150 VanDerWaalsContact O-CG 3.29Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 3.44Å; L147-L150 PolarHBondContact O-N 3.27Å; L148-L150 PolarHBondContact O-N 3.18Å; L150-D152 VanDerWaalsContact C-N 3.32Å; L150-V156 HydrophobicContact CD2-CG2 4Å; L150-V159 HydrophobicContact CB-CG2 4.03Å; L150-V159 HydrophobicContact CD1-CG1 3.95Å; L150-V159 HydrophobicContact CD1-CG2 4.17Å; L150-K180 PolarHBondContact O-NZ 3.32Å
151	N	91.8	Very high	92.5	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.032	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-37.1	172.9	-78.2	-20.2	0	0	0	112.1	L147 L148 A175 K177 K180	L147-N151 VanDerWaalsContact O-CB 3.29Å; L147-N151 WeakPolarHBondContact O-CB 3.47Å; L147-N151 PolarHBondContact O-N 3.16Å; L147-N151 PolarHBondContact O-ND2 2.85Å; L147-N151 PolarHBondContact O-OD1 3.33Å; L148-N151 WeakPolarHBondContact O-CB 2.98Å; L148-N151 PolarHBondContact O-N 3.35Å; N151-A175 PolarHBondContact ND2-O 3.5Å; N151-K177 HydrophobicContact CB-CB 4.5Å; N151-K177 HydrophobicContact CB-CD 3.71Å; N151-K177 HydrophobicContact CB-CG 3.89Å; N151-K177 PolarHBondContact O-NZ 3.03Å; N151-K177 WeakPolarHBondContact OD1-CB 3.24Å; N151-K177 PolarHBondContact OD1-N 3.04Å; N151-K180 VanDerWaalsContact C-NZ 3.3Å; N151-K180 WeakPolarHBondContact O-CE 3.39Å; N151-K180 PolarHBondContact O-NZ 3.47Å
152	D	85.3	Confident	92.2	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	21%	0.206	S	C	.	.	H	α-helix	trans	-99.6	-7.6	-170.2	-62.9	-14.4	0	0	0	113.5	L148 K149 L150 P154 K177 E381	L148-D152 PolarHBondContact O-N 3.04Å; K149-D152 PolarHBondContact O-N 3.27Å; L150-D152 VanDerWaalsContact C-N 3.32Å; D152-P154 VanDerWaalsContact O-CD 3.26Å; D152-P154 WeakPolarHBondContact O-CD 3.4Å; D152-K177 WeakPolarHBondContact OD1-CE 3.34Å; D152-K177 IonicContact OD1-NZ 3.23Å; D152-K177 PolarHBondContact OD1-NZ 3.39Å; D152-E381 HydrophobicContact CB-CB 3.94Å
153	D	87.5	Confident	91.8	Very high	59 Å²	59	37.8 Å²	37.8	32%	0.316	19%	0.186	S	C	.	.			trans	-77.7	112.1	166.2	-174.6	-4.6	0	0	0	111.1	K149 K155 V156 K180	K149-D153 PolarHBondContact O-N 3.31Å; D153-K155 PolarHBondContact O-N 3.02Å; D153-K155 VanDerWaalsContact OD1-CB 3.26Å; D153-K155 WeakPolarHBondContact OD1-CB 3.35Å; D153-K155 WeakPolarHBondContact OD1-CG 3.26Å; D153-K155 PolarHBondContact OD1-N 3.22Å; D153-V156 HydrophobicContact CB-CB 4.49Å; D153-V156 HydrophobicContact CB-CG2 3.93Å; D153-V156 PolarHBondContact O-N 3.41Å; D153-V156 VanDerWaalsContact O-N 3.13Å; D153-K180 PolarHBondContact O-NZ 3.3Å
154	P	81.9	Confident	91.2	Very high	59 Å²	59	39.8 Å²	39.8	38%	0.383	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.6	178.7	30	-36.7	0	0	0	113.4	D152 W332	D152-P154 VanDerWaalsContact O-CD 3.26Å; D152-P154 WeakPolarHBondContact O-CD 3.4Å; P154-W332 HydrophobicContact CB-CZ2 4.04Å
155	K	87.8	Confident	90.3	Very high	149 Å²	149	43 Å²	43	65%	0.648	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.8	173.7	-59.9	170.9	-176.5	171.6	0	112.3	L102 D153 H157	L102-K155 VanDerWaalsContact CB-O 3.3Å; L102-K155 WeakPolarHBondContact CB-O 3.45Å; D153-K155 PolarHBondContact O-N 3.02Å; D153-K155 VanDerWaalsContact OD1-CB 3.26Å; D153-K155 WeakPolarHBondContact OD1-CB 3.35Å; D153-K155 WeakPolarHBondContact OD1-CG 3.26Å; D153-K155 PolarHBondContact OD1-N 3.22Å; K155-H157 PolarHBondContact O-CE1 3.01Å; K155-H157 VanDerWaalsContact O-CE1 3.28Å; K155-H157 PolarHBondContact O-N 2.95Å; K155-H157 PolarHBondContact O-ND1 3.26Å
156	V	93.1	Very high	89.7	Confident	4 Å²	4	42 Å²	42	2%	0.024	23%	0.233	C	C	.	.			trans	-83.7	113.8	179.8	178.4	0	0	0	0	109.1	L102 V104 L150 D153 V159 K180	L102-V156 HydrophobicContact CD2-CG2 4.1Å; V104-V156 HydrophobicContact CB-CG1 4.33Å; V104-V156 HydrophobicContact CG2-CB 4.44Å; V104-V156 HydrophobicContact CG2-CG1 3.86Å; V104-V156 HydrophobicContact CG2-CG2 3.74Å; L150-V156 HydrophobicContact CD2-CG2 4Å; D153-V156 HydrophobicContact CB-CB 4.49Å; D153-V156 HydrophobicContact CB-CG2 3.93Å; D153-V156 PolarHBondContact O-N 3.41Å; D153-V156 VanDerWaalsContact O-N 3.13Å; V156-V159 HydrophobicContact CG1-CG2 3.78Å; V156-K180 HydrophobicContact CG1-CD 4.35Å; V156-K180 WeakPolarHBondContact O-CD 3.22Å; V156-K180 WeakPolarHBondContact O-CE 3.49Å; V156-K180 PolarHBondContact O-NZ 2.9Å
157	H	94.1	Very high	89.2	Confident	9 Å²	9	41.1 Å²	41.1	4%	0.042	23%	0.231	C	C	.	.			trans	-102.3	-11.4	-174.9	-64	94.3	0	0	0	113.2	L102 K155 V325 C329	L102-H157 PolarHBondContact N-ND1 3.32Å; L102-H157 PolarHBondContact O-N 2.97Å; K155-H157 PolarHBondContact O-CE1 3.01Å; K155-H157 VanDerWaalsContact O-CE1 3.28Å; K155-H157 PolarHBondContact O-N 2.95Å; K155-H157 PolarHBondContact O-ND1 3.26Å; H157-V325 HydrophobicContact CB-CG1 4.01Å; H157-C329 HydrophobicContact CB-CB 4.15Å; H157-C329 VanDerWaalsContact CD2-CB 3.5Å; H157-C329 WeakPolarHBondContact CD2-CB 3.47Å; H157-C329 PolarHBondContact CD2-SG 3.14Å; H157-C329 PolarHBondContact NE2-SG 3.43Å; H157-C329 VanDerWaalsContact NE2-SG 3.37Å
158	G	95.4	Very high	88.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	151.1	171.3	0	0	0	0	0	111.7	L102 L103 V104 K180	L102-G158 PolarHBondContact O-N 3.11Å; L103-G158 WeakPolarHBondContact CA-O 3.41Å; V104-G158 PolarHBondContact N-O 3.39Å; G158-K180 CarbonylContact C-O 3.56Å; G158-K180 WeakPolarHBondContact CA-O 2.83Å
159	V	96.4	Very high	88.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.5	176.9	-173.8	0	0	0	0	109.5	V104 L106 L147 L150 V156 L161 L176 K180	V104-V159 CarbonylContact O-C 3.46Å; V104-V159 VanDerWaalsContact O-CA 3.31Å; V104-V159 WeakPolarHBondContact O-CA 3.31Å; L106-V159 HydrophobicContact CB-CG1 4.48Å; L147-V159 HydrophobicContact CD2-CG1 4.11Å; L150-V159 HydrophobicContact CB-CG2 4.03Å; L150-V159 HydrophobicContact CD1-CG1 3.95Å; L150-V159 HydrophobicContact CD1-CG2 4.17Å; V156-V159 HydrophobicContact CG1-CG2 3.78Å; V159-L161 HydrophobicContact CG1-CD2 3.8Å; V159-L176 HydrophobicContact CB-CD1 3.74Å; V159-L176 HydrophobicContact CB-CD2 4.26Å; V159-L176 HydrophobicContact CG1-CD1 4.37Å; V159-L176 HydrophobicContact CG2-CD1 3.83Å; V159-K180 HydrophobicContact CG2-CB 4.4Å; V159-K180 PolarHBondContact N-O 3.38Å
160	F	93.6	Very high	88.4	Confident	19 Å²	19	40.4 Å²	40.4	8%	0.083	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.7	171.8	170.6	-128.2	0	0	0	109.7	L103 V104 I105 L106 H162 D183	L103-F160 HydrophobicContact CD1-CB 4.02Å; V104-F160 PolarHBondContact O-N 2.99Å; I105-F160 HydrophobicContact CD1-CD1 4.33Å; I105-F160 HydrophobicContact CG1-CB 4.44Å; I105-F160 HydrophobicContact CG1-CD1 4.1Å; I105-F160 HydrophobicContact CG2-CD1 3.92Å; I105-F160 HydrophobicContact CG2-CE1 4.47Å; L106-F160 PolarHBondContact N-O 3.01Å; F160-H162 HydrophobicContact CD1-CB 4.37Å; F160-H162 HydrophobicContact CE1-CB 3.84Å; F160-H162 HydrophobicContact CZ-CB 4.2Å; F160-D183 WeakPolarHBondContact CD2-OD2 3.15Å; F160-D183 WeakPolarHBondContact CE2-OD2 3.37Å
161	L	91.7	Very high	88.4	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	95.3	-179.1	-52	-169.9	0	0	0	110.2	L106 L147 V159 L163 L168 V172 L173 L176 I185	L106-L161 HydrophobicContact CB-CD2 4.28Å; L106-L161 HydrophobicContact CD2-CD2 4.3Å; L147-L161 HydrophobicContact CD2-CD2 3.56Å; V159-L161 HydrophobicContact CG1-CD2 3.8Å; L161-L163 VanDerWaalsContact C-N 3.27Å; L161-L163 HydrophobicContact CB-CD1 4.13Å; L161-L163 HydrophobicContact CB-CG 4.27Å; L161-L163 PolarHBondContact O-N 2.89Å; L161-L168 HydrophobicContact CB-CD2 3.93Å; L161-L168 HydrophobicContact CD1-CD2 4.11Å; L161-V172 HydrophobicContact CD1-CG1 4.15Å; L161-L173 HydrophobicContact CD1-CD2 4.34Å; L161-L176 HydrophobicContact CD2-CD2 4.5Å; L161-L176 HydrophobicContact CG-CD2 4.45Å; L161-I185 HydrophobicContact CB-CD1 4.02Å; L161-I185 HydrophobicContact CD1-CD1 3.76Å; L161-I185 HydrophobicContact CG-CD1 3.88Å
162	H	87.7	Confident	88.4	Confident	16 Å²	16	45.6 Å²	45.6	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	63.5	172.8	-167.6	39.4	0	0	0	110	I105 L106 Q107 F160 A297	I105-H162 HydrophobicContact CG2-CB 4.16Å; L106-H162 PolarHBondContact O-N 3.26Å; Q107-H162 WeakPolarHBondContact CA-O 3.42Å; Q107-H162 HydrophobicContact CB-CB 4.36Å; F160-H162 HydrophobicContact CD1-CB 4.37Å; F160-H162 HydrophobicContact CE1-CB 3.84Å; F160-H162 HydrophobicContact CZ-CB 4.2Å; H162-A297 PolarHBondContact CE1-O 3.22Å
163	L	85.9	Confident	88.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.244	C	C	.	.			trans	-112.6	150.4	-173.8	-57.7	174.4	0	0	0	110.7	A108 I143 L161 L168 V172 L298	A108-L163 HydrophobicContact CB-CD2 3.99Å; I143-L163 HydrophobicContact CD1-CD1 4.31Å; I143-L163 HydrophobicContact CG2-CD1 3.64Å; L161-L163 VanDerWaalsContact C-N 3.27Å; L161-L163 HydrophobicContact CB-CD1 4.13Å; L161-L163 HydrophobicContact CB-CG 4.27Å; L161-L163 PolarHBondContact O-N 2.89Å; L163-L168 HydrophobicContact CB-CD2 4Å; L163-L168 HydrophobicContact CB-CG 4.31Å; L163-L168 HydrophobicContact CD1-CD2 4.21Å; L163-V172 HydrophobicContact CD1-CG1 4.21Å; L163-L298 WeakPolarHBondContact O-CD1 3.23Å; L163-L298 WeakPolarHBondContact O-CD2 3.08Å
164	P	81.2	Confident	88.8	Confident	43 Å²	43	43.7 Å²	43.7	28%	0.279	25%	0.249	S	C	.	.			trans	-53.5	150.6	174.6	-26.8	34.9	0	0	0	112.7	A166 S167 L168	P164-A166 PolarHBondContact O-N 3.01Å; P164-A166 VanDerWaalsContact O-N 3.13Å; P164-S167 WeakPolarHBondContact O-CB 3.45Å; P164-S167 PolarHBondContact O-N 2.75Å; P164-L168 PolarHBondContact O-N 2.92Å
165	P	77.8	Confident	89.4	Confident	92 Å²	92	41.8 Å²	41.8	60%	0.597	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-57.7	-34.9	-176	-23.8	33.2	0	0	0	113.5	S167 L168 L298	P165-S167 PolarHBondContact O-N 2.85Å; P165-L168 PolarHBondContact O-N 2.65Å; P165-L298 HydrophobicContact CG-CB 4.36Å; P165-L298 HydrophobicContact CG-CD1 3.77Å
166	A	81.1	Confident	89.7	Confident	93 Å²	93	34.9 Å²	34.9	77%	0.769	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-66.6	-21.3	176.8	0	0	0	0	0	113.9	P164	P164-A166 PolarHBondContact O-N 3.01Å; P164-A166 VanDerWaalsContact O-N 3.13Å
167	S	85.3	Confident	89.7	Confident	25 Å²	25	36.9 Å²	36.9	18%	0.175	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-89.9	-15.3	179	-54.7	0	0	0	0	113.2	P164 P165 T169 V172	P164-S167 WeakPolarHBondContact O-CB 3.45Å; P164-S167 PolarHBondContact O-N 2.75Å; P165-S167 PolarHBondContact O-N 2.85Å; S167-T169 PolarHBondContact O-N 3.34Å; S167-V172 WeakPolarHBondContact O-CG2 3.35Å
168	L	85.8	Confident	89.6	Confident	49 Å²	49	37.7 Å²	37.7	26%	0.257	22%	0.222	S	C	.	.			trans	-83.8	55.3	-179.5	-66.4	174.3	0	0	0	111.7	L161 L163 P164 P165 L173	L161-L168 HydrophobicContact CB-CD2 3.93Å; L161-L168 HydrophobicContact CD1-CD2 4.11Å; L163-L168 HydrophobicContact CB-CD2 4Å; L163-L168 HydrophobicContact CB-CG 4.31Å; L163-L168 HydrophobicContact CD1-CD2 4.21Å; P164-L168 PolarHBondContact O-N 2.92Å; P165-L168 PolarHBondContact O-N 2.65Å; L168-L173 HydrophobicContact CB-CD2 4.46Å; L168-L173 HydrophobicContact CD2-CD2 4.17Å; L168-L173 WeakPolarHBondContact O-CD1 3.5Å
169	T	89.6	Confident	89.4	Confident	41 Å²	41	41.2 Å²	41.2	25%	0.252	24%	0.239	S	C	.	.			trans	-73.7	166	-177.6	78.8	0	0	0	0	112.4	E140 S167 R171 V172 L173	E140-T169 HydrophobicContact CG-CG2 4.43Å; E140-T169 WeakPolarHBondContact OE1-CB 3.39Å; E140-T169 VanDerWaalsContact OE1-CG2 3.24Å; E140-T169 WeakPolarHBondContact OE1-CG2 3.27Å; E140-T169 PolarHBondContact OE1-OG1 3.09Å; S167-T169 PolarHBondContact O-N 3.34Å; T169-R171 PolarHBondContact O-N 2.72Å; T169-R171 PolarHBondContact OG1-N 2.83Å; T169-V172 PolarHBondContact O-N 3.46Å; T169-V172 PolarHBondContact OG1-N 2.94Å; T169-V172 VanDerWaalsContact OG1-N 3.15Å; T169-L173 WeakPolarHBondContact O-CB 3.49Å; T169-L173 VanDerWaalsContact O-CG 3.27Å; T169-L173 WeakPolarHBondContact O-CG 3.44Å; T169-L173 PolarHBondContact O-N 3.06Å
170	S	89.3	Confident	89.2	Confident	86 Å²	86	42 Å²	42	60%	0.601	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.6	169.8	-64.9	0	0	0	0	114.4	N174	S170-N174 PolarHBondContact O-ND2 3.28Å
171	R	93.6	Very high	89.3	Confident	126 Å²	126	41.1 Å²	41.1	48%	0.475	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-51.5	171.1	-60.9	178.2	59.1	-142.6	-2.3	109.7	E140 D141 I144 T169 N174 A175	E140-R171 WeakPolarHBondContact OE1-CB 3.47Å; E140-R171 WeakPolarHBondContact OE1-CD 3.42Å; E140-R171 WeakPolarHBondContact OE2-CD 3.23Å; E140-R171 IonicContact OE2-CZ 2.7Å; E140-R171 IonicContact OE2-NE 3.2Å; E140-R171 IonicContact OE2-NH1 3.94Å; E140-R171 PolarHBondContact OE2-NH1 3.41Å; D141-R171 IonicContact OD1-CZ 2.77Å; D141-R171 VanDerWaalsContact OD1-CZ 3.25Å; D141-R171 IonicContact OD1-NH1 3.74Å; D141-R171 PolarHBondContact OD1-NH1 2.96Å; D141-R171 IonicContact OD1-NH2 3.59Å; D141-R171 PolarHBondContact OD1-NH2 3.3Å; I144-R171 HydrophobicContact CD1-CB 3.89Å; T169-R171 PolarHBondContact O-N 2.72Å; T169-R171 PolarHBondContact OG1-N 2.83Å; R171-N174 PolarHBondContact O-N 2.97Å; R171-A175 WeakPolarHBondContact O-CB 3.29Å; R171-A175 PolarHBondContact O-N 3.46Å
172	V	92.8	Very high	89.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-48.5	179.9	170.6	0	0	0	0	111.5	E140 I143 I144 L147 L161 L163 S167 T169 N174 A175	E140-V172 HydrophobicContact CG-CG2 3.75Å; I143-V172 HydrophobicContact CB-CG2 4.37Å; I143-V172 HydrophobicContact CG2-CG1 3.7Å; I143-V172 HydrophobicContact CG2-CG2 4.03Å; I144-V172 HydrophobicContact CD1-CG2 4.41Å; I144-V172 HydrophobicContact CG1-CG2 4.12Å; L147-V172 HydrophobicContact CD1-CG1 3.94Å; L161-V172 HydrophobicContact CD1-CG1 4.15Å; L163-V172 HydrophobicContact CD1-CG1 4.21Å; S167-V172 WeakPolarHBondContact O-CG2 3.35Å; T169-V172 PolarHBondContact O-N 3.46Å; T169-V172 PolarHBondContact OG1-N 2.94Å; T169-V172 VanDerWaalsContact OG1-N 3.15Å; V172-N174 PolarHBondContact O-N 2.91Å; V172-A175 WeakPolarHBondContact O-CB 3.38Å; V172-A175 PolarHBondContact O-N 3.04Å; V172-A175 VanDerWaalsContact O-N 3.12Å
173	L	91.4	Very high	89.6	Confident	18 Å²	18	40.8 Å²	40.8	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-24.1	-178.6	-67.3	177	0	0	0	114.2	L161 L168 T169 I185 S186	L161-L173 HydrophobicContact CD1-CD2 4.34Å; L168-L173 HydrophobicContact CB-CD2 4.46Å; L168-L173 HydrophobicContact CD2-CD2 4.17Å; L168-L173 WeakPolarHBondContact O-CD1 3.5Å; T169-L173 WeakPolarHBondContact O-CB 3.49Å; T169-L173 VanDerWaalsContact O-CG 3.27Å; T169-L173 WeakPolarHBondContact O-CG 3.44Å; T169-L173 PolarHBondContact O-N 3.06Å; L173-I185 HydrophobicContact CD2-CB 3.96Å; L173-I185 HydrophobicContact CD2-CD1 3.69Å; L173-I185 HydrophobicContact CD2-CG1 3.85Å; L173-S186 WeakPolarHBondContact O-CA 3.19Å; L173-S186 VanDerWaalsContact O-CB 3.23Å; L173-S186 WeakPolarHBondContact O-CB 2.96Å
174	N	90.2	Very high	89.9	Confident	76 Å²	76	40.8 Å²	40.8	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-102.9	-1.7	176	-63.7	-62.9	0	0	0	113.2	S170 R171 V172 N187	S170-N174 PolarHBondContact O-ND2 3.28Å; R171-N174 PolarHBondContact O-N 2.97Å; V172-N174 PolarHBondContact O-N 2.91Å; N174-N187 PolarHBondContact ND2-ND2 2.67Å; N174-N187 VanDerWaalsContact OD1-CB 3.31Å; N174-N187 WeakPolarHBondContact OD1-CB 3.44Å; N174-N187 PolarHBondContact OD1-N 3.23Å
175	A	94.6	Very high	90.3	Very high	19 Å²	19	40.4 Å²	40.4	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-77.9	-26.4	169.4	0	0	0	0	0	111.8	I144 L147 N151 R171 V172	I144-A175 HydrophobicContact CB-CB 4.43Å; I144-A175 HydrophobicContact CG1-CB 3.96Å; I144-A175 HydrophobicContact CG2-CB 4.07Å; L147-A175 HydrophobicContact CB-CB 4.45Å; L147-A175 HydrophobicContact CD1-CB 4.17Å; N151-A175 PolarHBondContact ND2-O 3.5Å; R171-A175 WeakPolarHBondContact O-CB 3.29Å; R171-A175 PolarHBondContact O-N 3.46Å; V172-A175 WeakPolarHBondContact O-CB 3.38Å; V172-A175 PolarHBondContact O-N 3.04Å; V172-A175 VanDerWaalsContact O-N 3.12Å
176	L	93.8	Very high	90.9	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-74.3	126.9	174.5	179.2	55.4	0	0	0	111.1	L147 V159 L161 P178 K180 D181	L147-L176 HydrophobicContact CD2-CD1 4.36Å; V159-L176 HydrophobicContact CB-CD1 3.74Å; V159-L176 HydrophobicContact CB-CD2 4.26Å; V159-L176 HydrophobicContact CG1-CD1 4.37Å; V159-L176 HydrophobicContact CG2-CD1 3.83Å; L161-L176 HydrophobicContact CD2-CD2 4.5Å; L161-L176 HydrophobicContact CG-CD2 4.45Å; L176-P178 WeakPolarHBondContact O-CD 3.42Å; L176-K180 HydrophobicContact CD1-CB 4.14Å; L176-D181 HydrophobicContact CD2-CB 3.85Å; L176-D181 HydrophobicContact CG-CB 4.09Å
177	K	92.5	Very high	91.4	Very high	47 Å²	47	35.8 Å²	35.8	20%	0.204	19%	0.19	C	C	.	.			trans	-56.4	124.1	172.9	-84	177.6	-174.2	163.6	0	108.8	N151 D152 E179 K180 D181 E381	N151-K177 HydrophobicContact CB-CB 4.5Å; N151-K177 HydrophobicContact CB-CD 3.71Å; N151-K177 HydrophobicContact CB-CG 3.89Å; N151-K177 PolarHBondContact O-NZ 3.03Å; N151-K177 WeakPolarHBondContact OD1-CB 3.24Å; N151-K177 PolarHBondContact OD1-N 3.04Å; D152-K177 WeakPolarHBondContact OD1-CE 3.34Å; D152-K177 IonicContact OD1-NZ 3.23Å; D152-K177 PolarHBondContact OD1-NZ 3.39Å; K177-E179 PolarHBondContact O-N 3.44Å; K177-K180 PolarHBondContact O-N 3.06Å; K177-D181 PolarHBondContact O-N 3.14Å; K177-E381 IonicContact NZ-OE1 2.75Å; K177-E381 PolarHBondContact NZ-OE1 2.64Å; K177-E381 IonicContact NZ-OE2 3.57Å; K177-E381 PolarHBondContact NZ-OE2 3.42Å
178	P	91.9	Very high	91.7	Very high	25 Å²	25	38.9 Å²	38.9	16%	0.162	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.9	-177.4	-29.5	37.3	0	0	0	114.4	L176 K180 D181 L188 N189	L176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-K180 VanDerWaalsContact C-N 3.26Å; P178-K180 PolarHBondContact O-N 3.23Å; P178-D181 PolarHBondContact O-N 2.96Å; P178-L188 HydrophobicContact CB-CB 4.5Å; P178-L188 HydrophobicContact CB-CD2 4.11Å; P178-L188 HydrophobicContact CG-CB 4.05Å; P178-L188 HydrophobicContact CG-CD2 3.71Å; P178-L188 HydrophobicContact CG-CG 4.45Å; P178-N189 PolarHBondContact O-ND2 3.47Å
179	E	90.9	Very high	92	Very high	75 Å²	75	36.6 Å²	36.6	35%	0.35	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.8	179	-67.2	60	-133.3	0	0	112.8	K177 R192	K177-E179 PolarHBondContact O-N 3.44Å; E179-R192 IonicContact OE1-CZ 3.42Å; E179-R192 IonicContact OE1-NH1 2.97Å; E179-R192 PolarHBondContact OE1-NH1 3.46Å; E179-R192 IonicContact OE1-NH2 2.72Å; E179-R192 PolarHBondContact OE1-NH2 3.24Å
180	K	93.4	Very high	92.1	Very high	18 Å²	18	35.4 Å²	35.4	8%	0.078	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-4	172.7	-60.3	-175.1	-178.4	-173.9	0	113.3	L150 N151 D153 V156 G158 V159 L176 K177 P178 V182	L150-K180 PolarHBondContact O-NZ 3.32Å; N151-K180 VanDerWaalsContact C-NZ 3.3Å; N151-K180 WeakPolarHBondContact O-CE 3.39Å; N151-K180 PolarHBondContact O-NZ 3.47Å; D153-K180 PolarHBondContact O-NZ 3.3Å; V156-K180 HydrophobicContact CG1-CD 4.35Å; V156-K180 WeakPolarHBondContact O-CD 3.22Å; V156-K180 WeakPolarHBondContact O-CE 3.49Å; V156-K180 PolarHBondContact O-NZ 2.9Å; G158-K180 CarbonylContact C-O 3.56Å; G158-K180 WeakPolarHBondContact CA-O 2.83Å; V159-K180 HydrophobicContact CG2-CB 4.4Å; V159-K180 PolarHBondContact N-O 3.38Å; L176-K180 HydrophobicContact CD1-CB 4.14Å; K177-K180 PolarHBondContact O-N 3.06Å; P178-K180 VanDerWaalsContact C-N 3.26Å; P178-K180 PolarHBondContact O-N 3.23Å; K180-V182 VanDerWaalsContact C-N 3.3Å; K180-V182 PolarHBondContact O-N 2.58Å
181	D	94.6	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-77.1	73.5	177.5	168.1	33.4	0	0	0	111.5	L176 K177 P178 D183 C184 I185 S186 N189 F202	L176-D181 HydrophobicContact CD2-CB 3.85Å; L176-D181 HydrophobicContact CG-CB 4.09Å; K177-D181 PolarHBondContact O-N 3.14Å; P178-D181 PolarHBondContact O-N 2.96Å; D181-D183 PolarHBondContact O-N 2.89Å; D181-C184 PolarHBondContact O-N 3.25Å; D181-C184 VanDerWaalsContact O-N 3.13Å; D181-C184 WeakPolarHBondContact OD1-CA 3.45Å; D181-C184 PolarHBondContact OD1-N 2.97Å; D181-C184 WeakPolarHBondContact OD2-CA 3.26Å; D181-I185 WeakPolarHBondContact OD1-CG1 3.13Å; D181-I185 PolarHBondContact OD1-N 2.93Å; D181-I185 PolarHBondContact OD2-N 3.4Å; D181-S186 WeakPolarHBondContact OD2-CB 3.32Å; D181-S186 PolarHBondContact OD2-N 3.49Å; D181-S186 PolarHBondContact OD2-OG 3.44Å; D181-N189 WeakPolarHBondContact CB-ND2 3.46Å; D181-N189 WeakPolarHBondContact OD2-CB 3.34Å; D181-N189 PolarHBondContact OD2-ND2 3.08Å; D181-F202 WeakPolarHBondContact O-CD2 3.48Å
182	V	93.8	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.7	-174.8	-66.7	0	0	0	0	114.6	L103 K180 F202 P205 R321 N324 V325	L103-V182 HydrophobicContact CD1-CG2 4.06Å; K180-V182 VanDerWaalsContact C-N 3.3Å; K180-V182 PolarHBondContact O-N 2.58Å; V182-F202 HydrophobicContact CG1-CZ 4.43Å; V182-P205 WeakPolarHBondContact O-CD 3.23Å; V182-P205 WeakPolarHBondContact O-CG 3.19Å; V182-R321 HydrophobicContact CG2-CG 4.1Å; V182-N324 HydrophobicContact CB-CB 3.92Å; V182-N324 HydrophobicContact CG1-CB 4.2Å; V182-N324 PolarHBondContact O-ND2 2.81Å; V182-V325 HydrophobicContact CB-CG2 4.23Å; V182-V325 HydrophobicContact CG1-CG2 3.84Å; V182-V325 HydrophobicContact CG2-CG2 4.09Å
183	D	91.8	Very high	92.2	Very high	19 Å²	19	28.1 Å²	28.1	10%	0.102	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.5	172	-83.3	51.3	0	0	0	112.9	F160 D181 I185 P204 R321	F160-D183 WeakPolarHBondContact CD2-OD2 3.15Å; F160-D183 WeakPolarHBondContact CE2-OD2 3.37Å; D181-D183 PolarHBondContact O-N 2.89Å; D183-I185 HydrophobicContact CB-CG2 4.23Å; D183-P204 WeakPolarHBondContact O-CA 3.4Å; D183-P204 WeakPolarHBondContact O-CB 3.42Å; D183-R321 IonicContact OD1-CZ 3.92Å; D183-R321 IonicContact OD1-NE 3.63Å; D183-R321 PolarHBondContact OD1-NE 2.75Å; D183-R321 IonicContact OD1-NH2 3.25Å; D183-R321 IonicContact OD2-CZ 3.56Å; D183-R321 IonicContact OD2-NE 3.49Å; D183-R321 PolarHBondContact OD2-NE 3.03Å; D183-R321 IonicContact OD2-NH2 2.72Å; D183-R321 PolarHBondContact OD2-NH2 2.88Å
184	C	92.6	Very high	92.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.			trans	54	53.2	-179.5	178.1	0	0	0	0	112.1	D181 N189 I190 F202 P204	D181-C184 PolarHBondContact O-N 3.25Å; D181-C184 VanDerWaalsContact O-N 3.13Å; D181-C184 WeakPolarHBondContact OD1-CA 3.45Å; D181-C184 PolarHBondContact OD1-N 2.97Å; D181-C184 WeakPolarHBondContact OD2-CA 3.26Å; C184-N189 HydrophobicContact CB-CB 4.32Å; C184-I190 VanDerWaalsContact O-CD1 3.28Å; C184-I190 WeakPolarHBondContact O-CD1 3.38Å; C184-I190 WeakPolarHBondContact O-CG1 3.39Å; C184-F202 HydrophobicContact CB-CB 4.23Å; C184-F202 WeakPolarHBondContact CB-O 3.38Å; C184-F202 PolarHBondContact SG-O 2.82Å; C184-P204 HydrophobicContact CB-CG 3.78Å
185	I	89.4	Confident	92.2	Very high	35 Å²	35	37.8 Å²	37.8	18%	0.179	19%	0.19	C	C	.	.			trans	-105.9	-11.1	179.6	56.5	175.3	0	0	0	113.5	L161 L173 D181 D183 P234	L161-I185 HydrophobicContact CB-CD1 4.02Å; L161-I185 HydrophobicContact CD1-CD1 3.76Å; L161-I185 HydrophobicContact CG-CD1 3.88Å; L173-I185 HydrophobicContact CD2-CB 3.96Å; L173-I185 HydrophobicContact CD2-CD1 3.69Å; L173-I185 HydrophobicContact CD2-CG1 3.85Å; D181-I185 WeakPolarHBondContact OD1-CG1 3.13Å; D181-I185 PolarHBondContact OD1-N 2.93Å; D181-I185 PolarHBondContact OD2-N 3.4Å; D183-I185 HydrophobicContact CB-CG2 4.23Å; I185-P234 HydrophobicContact CB-CG 4.48Å; I185-P234 HydrophobicContact CG2-CB 4.36Å
186	S	90.9	Very high	91.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.201	C	C	.	.	S	Bend	trans	-71.9	150.7	173.4	68.3	0	0	0	0	112.4	L173 D181 L188 N189 I190	L173-S186 WeakPolarHBondContact O-CA 3.19Å; L173-S186 VanDerWaalsContact O-CB 3.23Å; L173-S186 WeakPolarHBondContact O-CB 2.96Å; D181-S186 WeakPolarHBondContact OD2-CB 3.32Å; D181-S186 PolarHBondContact OD2-N 3.49Å; D181-S186 PolarHBondContact OD2-OG 3.44Å; S186-L188 PolarHBondContact O-N 2.77Å; S186-N189 PolarHBondContact O-N 3.23Å; S186-N189 WeakPolarHBondContact OG-CB 3.33Å; S186-N189 PolarHBondContact OG-N 3.24Å; S186-I190 PolarHBondContact O-N 2.92Å
187	N	91	Very high	91.3	Very high	88 Å²	88	42 Å²	42	47%	0.471	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-30.3	179.4	-68.8	-16.4	0	0	0	111.9	N174 G191	N174-N187 PolarHBondContact ND2-ND2 2.67Å; N174-N187 VanDerWaalsContact OD1-CB 3.31Å; N174-N187 WeakPolarHBondContact OD1-CB 3.44Å; N174-N187 PolarHBondContact OD1-N 3.23Å; N187-G191 PolarHBondContact O-N 3.41Å
188	L	91.9	Very high	90.6	Very high	90 Å²	90	42.8 Å²	42.8	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-71.6	-43.3	177.8	-170	68.3	0	0	0	111.9	P178 S186 G191 R192	P178-L188 HydrophobicContact CB-CB 4.5Å; P178-L188 HydrophobicContact CB-CD2 4.11Å; P178-L188 HydrophobicContact CG-CB 4.05Å; P178-L188 HydrophobicContact CG-CD2 3.71Å; P178-L188 HydrophobicContact CG-CG 4.45Å; S186-L188 PolarHBondContact O-N 2.77Å; L188-G191 PolarHBondContact O-N 3.09Å; L188-R192 WeakPolarHBondContact O-CB 3.42Å; L188-R192 WeakPolarHBondContact O-CG 3.47Å; L188-R192 PolarHBondContact O-N 3.26Å
189	N	92.3	Very high	90	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.1	-37.3	178.9	-79.5	-21.6	0	0	0	112.4	P178 D181 C184 S186 G191 R192 L193	P178-N189 PolarHBondContact O-ND2 3.47Å; D181-N189 WeakPolarHBondContact CB-ND2 3.46Å; D181-N189 WeakPolarHBondContact OD2-CB 3.34Å; D181-N189 PolarHBondContact OD2-ND2 3.08Å; C184-N189 HydrophobicContact CB-CB 4.32Å; S186-N189 PolarHBondContact O-N 3.23Å; S186-N189 WeakPolarHBondContact OG-CB 3.33Å; S186-N189 PolarHBondContact OG-N 3.24Å; N189-G191 VanDerWaalsContact C-N 3.32Å; N189-G191 PolarHBondContact O-N 3.03Å; N189-R192 WeakPolarHBondContact O-CB 3.46Å; N189-R192 PolarHBondContact O-N 3.46Å; N189-R192 WeakPolarHBondContact OD1-CD 3.2Å; N189-R192 PolarHBondContact OD1-NH1 3.45Å; N189-L193 VanDerWaalsContact O-CB 3.28Å; N189-L193 WeakPolarHBondContact O-CB 3.3Å; N189-L193 PolarHBondContact O-N 3.33Å
190	I	91.8	Very high	89.4	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.082	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-40.3	168.8	-70	-66	0	0	0	111	C184 S186 L193 V194 P234 L237 A238	C184-I190 VanDerWaalsContact O-CD1 3.28Å; C184-I190 WeakPolarHBondContact O-CD1 3.38Å; C184-I190 WeakPolarHBondContact O-CG1 3.39Å; S186-I190 PolarHBondContact O-N 2.92Å; I190-L193 HydrophobicContact CD1-CD2 4.31Å; I190-L193 PolarHBondContact O-N 2.64Å; I190-V194 HydrophobicContact CG2-CG2 4.3Å; I190-V194 WeakPolarHBondContact O-CB 3.42Å; I190-V194 VanDerWaalsContact O-CG2 3.31Å; I190-V194 WeakPolarHBondContact O-CG2 3.44Å; I190-V194 PolarHBondContact O-N 3.02Å; I190-P234 HydrophobicContact CD1-CB 3.79Å; I190-P234 WeakPolarHBondContact CD1-O 3.29Å; I190-P234 HydrophobicContact CG1-CB 3.79Å; I190-P234 HydrophobicContact CG1-CG 4.37Å; I190-L237 HydrophobicContact CG2-CD1 4.29Å; I190-A238 HydrophobicContact CD1-CB 4.12Å
191	G	92.6	Very high	89	Confident	29 Å²	29	45.3 Å²	45.3	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-42.7	174.3	0	0	0	0	0	113.8	N187 L188 N189 R195	N187-G191 PolarHBondContact O-N 3.41Å; L188-G191 PolarHBondContact O-N 3.09Å; N189-G191 VanDerWaalsContact C-N 3.32Å; N189-G191 PolarHBondContact O-N 3.03Å; G191-R195 WeakPolarHBondContact O-CB 3.26Å; G191-R195 VanDerWaalsContact O-CG 3.29Å; G191-R195 WeakPolarHBondContact O-CG 3.47Å; G191-R195 PolarHBondContact O-N 3.12Å; G191-R195 VanDerWaalsContact O-N 3.08Å
192	R	92.5	Very high	88.8	Confident	31 Å²	31	45.6 Å²	45.6	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-51.8	171.8	-77.5	167.8	175.6	170.2	-3.3	110.2	E179 L188 N189 V194 R195 G196 D197 K200	E179-R192 IonicContact OE1-CZ 3.42Å; E179-R192 IonicContact OE1-NH1 2.97Å; E179-R192 PolarHBondContact OE1-NH1 3.46Å; E179-R192 IonicContact OE1-NH2 2.72Å; E179-R192 PolarHBondContact OE1-NH2 3.24Å; L188-R192 WeakPolarHBondContact O-CB 3.42Å; L188-R192 WeakPolarHBondContact O-CG 3.47Å; L188-R192 PolarHBondContact O-N 3.26Å; N189-R192 WeakPolarHBondContact O-CB 3.46Å; N189-R192 PolarHBondContact O-N 3.46Å; N189-R192 WeakPolarHBondContact OD1-CD 3.2Å; N189-R192 PolarHBondContact OD1-NH1 3.45Å; R192-V194 PolarHBondContact O-N 2.96Å; R192-R195 CarbonylContact O-C 3.47Å; R192-R195 PolarHBondContact O-N 2.88Å; R192-G196 PolarHBondContact O-N 3.28Å; R192-D197 WeakPolarHBondContact CB-O 2.97Å; R192-D197 PolarHBondContact O-N 3Å; R192-K200 PolarHBondContact NH1-O 3.41Å
193	L	92.1	Very high	88.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-51.2	179.1	-178.8	66.7	0	0	0	112	N189 I190 R195 G196 M198 P204 A238 L242 R245	N189-L193 VanDerWaalsContact O-CB 3.28Å; N189-L193 WeakPolarHBondContact O-CB 3.3Å; N189-L193 PolarHBondContact O-N 3.33Å; I190-L193 HydrophobicContact CD1-CD2 4.31Å; I190-L193 PolarHBondContact O-N 2.64Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 2.65Å; L193-G196 PolarHBondContact O-N 3.3Å; L193-M198 HydrophobicContact CB-SD 4.37Å; L193-M198 HydrophobicContact CD1-CE 3.93Å; L193-M198 HydrophobicContact CD1-SD 3.59Å; L193-M198 VanDerWaalsContact CD1-SD 3.59Å; L193-P204 HydrophobicContact CD2-CG 4.43Å; L193-A238 HydrophobicContact CD2-CB 3.42Å; L193-A238 VanDerWaalsContact CD2-CB 3.42Å; L193-L242 HydrophobicContact CD1-CD1 4.46Å; L193-L242 HydrophobicContact CD1-CD2 4.08Å; L193-L242 HydrophobicContact CD1-CG 4.36Å; L193-R245 VanDerWaalsContact O-CZ 3.23Å; L193-R245 PolarHBondContact O-NH1 3.36Å; L193-R245 PolarHBondContact O-NH2 3.41Å
194	V	90.9	Very high	88.8	Confident	75 Å²	75	46.7 Å²	46.7	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-31.6	-179.9	171.3	0	0	0	0	112.2	I190 R192 C241 R245	I190-V194 HydrophobicContact CG2-CG2 4.3Å; I190-V194 WeakPolarHBondContact O-CB 3.42Å; I190-V194 VanDerWaalsContact O-CG2 3.31Å; I190-V194 WeakPolarHBondContact O-CG2 3.44Å; I190-V194 PolarHBondContact O-N 3.02Å; R192-V194 PolarHBondContact O-N 2.96Å; V194-C241 HydrophobicContact CG2-CB 4.47Å; V194-R245 VanDerWaalsContact C-NH2 3.31Å; V194-R245 PolarHBondContact O-NH2 3.17Å
195	R	90.1	Very high	88.8	Confident	222 Å²	222	46.8 Å²	46.8	84%	0.838	25%	0.251	S	S	*	.	H	α-helix	trans	-77.3	-22.1	171.3	-71.8	176.7	177.4	-166.3	-0.4	114.3	G191 R192 L193	G191-R195 WeakPolarHBondContact O-CB 3.26Å; G191-R195 VanDerWaalsContact O-CG 3.29Å; G191-R195 WeakPolarHBondContact O-CG 3.47Å; G191-R195 PolarHBondContact O-N 3.12Å; G191-R195 VanDerWaalsContact O-N 3.08Å; R192-R195 CarbonylContact O-C 3.47Å; R192-R195 PolarHBondContact O-N 2.88Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 2.65Å
196	G	85.9	Confident	88.8	Confident	37 Å²	37	46.3 Å²	46.3	38%	0.381	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	8.4	-175.2	0	0	0	0	0	114	R192 L193 M198 R245	R192-G196 PolarHBondContact O-N 3.28Å; L193-G196 PolarHBondContact O-N 3.3Å; G196-M198 VanDerWaalsContact C-N 3.28Å; G196-M198 PolarHBondContact O-N 3.18Å; G196-R245 VanDerWaalsContact N-NH2 3.12Å
197	D	84.4	Confident	88.8	Confident	75 Å²	75	46.2 Å²	46.2	40%	0.401	25%	0.248	S	C	.	.			trans	-79.9	75.1	176.3	-179.5	17.1	0	0	0	111.1	R192 S199	R192-D197 WeakPolarHBondContact CB-O 2.97Å; R192-D197 PolarHBondContact O-N 3Å; D197-S199 PolarHBondContact O-N 2.88Å; D197-S199 VanDerWaalsContact OD1-CB 3.3Å; D197-S199 WeakPolarHBondContact OD1-CB 3.18Å; D197-S199 PolarHBondContact OD1-N 3.4Å; D197-S199 PolarHBondContact OD1-OG 2.89Å
198	M	78.6	Confident	88.8	Confident	63 Å²	63	43 Å²	43	31%	0.31	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.6	177.5	-56	-48.2	-57.5	0	0	113.4	L193 G196 K200 F202 V203 R331	L193-M198 HydrophobicContact CB-SD 4.37Å; L193-M198 HydrophobicContact CD1-CE 3.93Å; L193-M198 HydrophobicContact CD1-SD 3.59Å; L193-M198 VanDerWaalsContact CD1-SD 3.59Å; G196-M198 VanDerWaalsContact C-N 3.28Å; G196-M198 PolarHBondContact O-N 3.18Å; M198-K200 PolarHBondContact O-N 1.92Å; M198-F202 WeakPolarHBondContact CE-O 3.4Å; M198-V203 HydrophobicContact CE-CG2 3.66Å; M198-R331 PolarHBondContact O-NH2 2.88Å
199	S	78.9	Confident	88.7	Confident	80 Å²	80	38.7 Å²	38.7	56%	0.559	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-46.6	-179.8	68.7	0	0	0	0	111.5	D197 R331	D197-S199 PolarHBondContact O-N 2.88Å; D197-S199 VanDerWaalsContact OD1-CB 3.3Å; D197-S199 WeakPolarHBondContact OD1-CB 3.18Å; D197-S199 PolarHBondContact OD1-N 3.4Å; D197-S199 PolarHBondContact OD1-OG 2.89Å; S199-R331 PolarHBondContact O-NE 3.39Å; S199-R331 PolarHBondContact O-NH2 3.01Å
200	K	78.3	Confident	88.4	Confident	89 Å²	89	38.7 Å²	38.7	39%	0.387	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-8.5	178.2	-65.8	-168.1	168.2	-129.9	0	114.6	R192 M198 E335	R192-K200 PolarHBondContact NH1-O 3.41Å; M198-K200 PolarHBondContact O-N 1.92Å; K200-E335 IonicContact NZ-OE1 3.59Å; K200-E335 PolarHBondContact NZ-OE1 2.86Å
201	G	84.6	Confident	88.2	Confident	2 Å²	2	39.5 Å²	39.5	2%	0.021	21%	0.214	C	C	.	.			trans	-80.4	168.1	177.5	0	0	0	0	0	114.4	R331	G201-R331 VanDerWaalsContact O-CZ 3.29Å; G201-R331 PolarHBondContact O-NH1 2.72Å; G201-R331 PolarHBondContact O-NH2 3.13Å
202	F	91	Very high	87.9	Confident	5 Å²	5	39.5 Å²	39.5	2%	0.022	21%	0.207	C	C	.	.			trans	-114.8	161.2	168	-63.4	-78.5	0	0	0	110.1	D181 V182 C184 M198 N324 H327	D181-F202 WeakPolarHBondContact O-CD2 3.48Å; V182-F202 HydrophobicContact CG1-CZ 4.43Å; C184-F202 HydrophobicContact CB-CB 4.23Å; C184-F202 WeakPolarHBondContact CB-O 3.38Å; C184-F202 PolarHBondContact SG-O 2.82Å; M198-F202 WeakPolarHBondContact CE-O 3.4Å; F202-N324 HydrophobicContact CD1-CB 3.86Å; F202-N324 HydrophobicContact CE1-CB 4.32Å; F202-N324 VanDerWaalsContact CE1-O 3.27Å; F202-N324 WeakPolarHBondContact CE1-O 3.34Å; F202-H327 HydrophobicContact CE1-CB 4.44Å
203	V	92.4	Very high	87.3	Confident	37 Å²	37	39.3 Å²	39.3	22%	0.224	21%	0.208	C	C	.	.			trans	-98.1	134.1	168.2	-178.3	0	0	0	0	107.8	M198 S208 L242 N324	M198-V203 HydrophobicContact CE-CG2 3.66Å; V203-S208 VanDerWaalsContact CG1-OG 3.31Å; V203-S208 WeakPolarHBondContact CG1-OG 3.35Å; V203-L242 HydrophobicContact CG1-CD1 3.74Å; V203-N324 PolarHBondContact O-ND2 2.83Å
204	P	93.3	Very high	86.7	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.039	21%	0.211	C	C	.	.			trans	-55.7	127.5	177.2	-25.5	33.2	0	0	0	111.4	D183 C184 L193 M206 A207 S208 L235 A238	D183-P204 WeakPolarHBondContact O-CA 3.4Å; D183-P204 WeakPolarHBondContact O-CB 3.42Å; C184-P204 HydrophobicContact CB-CG 3.78Å; L193-P204 HydrophobicContact CD2-CG 4.43Å; P204-M206 PolarHBondContact O-N 2.77Å; P204-M206 VanDerWaalsContact O-N 3.15Å; P204-A207 HydrophobicContact CB-CB 4.11Å; P204-A207 HydrophobicContact CG-CB 4.49Å; P204-A207 WeakPolarHBondContact O-CA 3.39Å; P204-A207 WeakPolarHBondContact O-CB 3.44Å; P204-A207 PolarHBondContact O-N 3.16Å; P204-S208 PolarHBondContact O-N 3.34Å; P204-L235 HydrophobicContact CB-CD1 4.4Å; P204-A238 HydrophobicContact CG-CB 3.61Å
205	P	93.1	Very high	86	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-34	-175.8	-30.2	36.5	0	0	0	114.4	V182 S208 A209 T317 R321	V182-P205 WeakPolarHBondContact O-CD 3.23Å; V182-P205 WeakPolarHBondContact O-CG 3.19Å; P205-S208 PolarHBondContact O-N 3.05Å; P205-A209 WeakPolarHBondContact O-CB 3.16Å; P205-A209 PolarHBondContact O-N 3.35Å; P205-T317 HydrophobicContact CB-CG2 4.02Å; P205-T317 VanDerWaalsContact CB-O 3.26Å; P205-T317 WeakPolarHBondContact CB-O 3.21Å; P205-R321 HydrophobicContact CB-CB 4.12Å; P205-R321 HydrophobicContact CG-CB 3.82Å; P205-R321 HydrophobicContact CG-CG 4.41Å
206	M	89.1	Confident	85.2	Confident	25 Å²	25	31.2 Å²	31.2	12%	0.123	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-43.8	172.5	177.7	121	-71.3	0	0	111.3	P204 A209 V210 L235 C294 L313 T317	P204-M206 PolarHBondContact O-N 2.77Å; P204-M206 VanDerWaalsContact O-N 3.15Å; M206-A209 PolarHBondContact O-N 2.91Å; M206-V210 HydrophobicContact CG-CG2 4.27Å; M206-V210 WeakPolarHBondContact O-CB 3.33Å; M206-V210 WeakPolarHBondContact O-CG2 3.26Å; M206-V210 PolarHBondContact O-N 3.48Å; M206-L235 HydrophobicContact CB-CD1 4.01Å; M206-L235 HydrophobicContact CB-CD2 4.49Å; M206-L235 HydrophobicContact CG-CD1 4.03Å; M206-L235 HydrophobicContact CG-CD2 4.01Å; M206-L235 HydrophobicContact SD-CD2 4.34Å; M206-C294 HydrophobicContact CG-CB 4.48Å; M206-C294 HydrophobicContact SD-CB 4.03Å; M206-L313 HydrophobicContact CE-CD1 4.21Å; M206-L313 HydrophobicContact CE-CD2 3.78Å; M206-L313 HydrophobicContact CE-CG 3.75Å; M206-T317 HydrophobicContact CB-CG2 4.33Å; M206-T317 HydrophobicContact CE-CG2 4.23Å; M206-T317 VanDerWaalsContact CE-OG1 3.27Å; M206-T317 WeakPolarHBondContact CE-OG1 3.35Å
207	A	90.5	Very high	84.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-40.8	178.3	0	0	0	0	0	111.7	P204 L211 L235 L239 L242	P204-A207 HydrophobicContact CB-CB 4.11Å; P204-A207 HydrophobicContact CG-CB 4.49Å; P204-A207 WeakPolarHBondContact O-CA 3.39Å; P204-A207 WeakPolarHBondContact O-CB 3.44Å; P204-A207 PolarHBondContact O-N 3.16Å; A207-L211 WeakPolarHBondContact O-CB 3.41Å; A207-L211 WeakPolarHBondContact O-CD1 3.35Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 2.94Å; A207-L235 HydrophobicContact CB-CD1 4.44Å; A207-L239 HydrophobicContact CB-CD2 3.83Å; A207-L239 HydrophobicContact CB-CG 4.13Å; A207-L242 HydrophobicContact CB-CD1 3.84Å
208	S	91.8	Very high	83.3	Confident	20 Å²	20	33.6 Å²	33.6	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-47.9	172.7	-57.7	0	0	0	0	112.2	V203 P204 P205 V210 L211 D212	V203-S208 VanDerWaalsContact CG1-OG 3.31Å; V203-S208 WeakPolarHBondContact CG1-OG 3.35Å; P204-S208 PolarHBondContact O-N 3.34Å; P205-S208 PolarHBondContact O-N 3.05Å; S208-V210 PolarHBondContact O-N 3.25Å; S208-L211 PolarHBondContact O-N 3.45Å; S208-D212 PolarHBondContact O-N 2.95Å
209	A	88.9	Confident	82.2	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-42.2	180	0	0	0	0	0	112.6	P205 M206 L213 L313 L316 Y320	P205-A209 WeakPolarHBondContact O-CB 3.16Å; P205-A209 PolarHBondContact O-N 3.35Å; M206-A209 PolarHBondContact O-N 2.91Å; A209-L213 WeakPolarHBondContact O-CG 3.22Å; A209-L213 PolarHBondContact O-N 2.84Å; A209-L313 HydrophobicContact CB-CD1 3.75Å; A209-L316 HydrophobicContact CB-CB 4.1Å; A209-L316 HydrophobicContact CB-CD2 3.9Å; A209-L316 HydrophobicContact CB-CG 3.73Å; A209-Y320 HydrophobicContact CB-CD2 4.02Å; A209-Y320 HydrophobicContact CB-CE2 4.37Å
210	V	86.6	Confident	81.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-37.7	177.6	168.5	0	0	0	0	112	M206 S208 L214 L239 F271 I292 L313	M206-V210 HydrophobicContact CG-CG2 4.27Å; M206-V210 WeakPolarHBondContact O-CB 3.33Å; M206-V210 WeakPolarHBondContact O-CG2 3.26Å; M206-V210 PolarHBondContact O-N 3.48Å; S208-V210 PolarHBondContact O-N 3.25Å; V210-L214 PolarHBondContact O-N 2.69Å; V210-L214 VanDerWaalsContact O-N 3.14Å; V210-L239 HydrophobicContact CB-CD2 4.27Å; V210-L239 HydrophobicContact CG1-CD2 4Å; V210-F271 HydrophobicContact CG1-CD1 4.39Å; V210-F271 HydrophobicContact CG1-CD2 3.8Å; V210-F271 HydrophobicContact CG1-CE1 3.88Å; V210-F271 HydrophobicContact CG1-CE2 3.18Å; V210-F271 HydrophobicContact CG1-CG 4.36Å; V210-F271 HydrophobicContact CG1-CZ 3.21Å; V210-I292 HydrophobicContact CG1-CD1 4.36Å; V210-I292 HydrophobicContact CG2-CG2 4.26Å; V210-L313 HydrophobicContact CG2-CD1 4.13Å
211	L	86.5	Confident	81.4	Confident	32 Å²	32	33.2 Å²	33.2	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-75.5	-35.2	178.5	-70.5	164.7	0	0	0	113.1	A207 S208 L214 G215 L242 I243	A207-L211 WeakPolarHBondContact O-CB 3.41Å; A207-L211 WeakPolarHBondContact O-CD1 3.35Å; A207-L211 WeakPolarHBondContact O-CG 3.4Å; A207-L211 PolarHBondContact O-N 2.94Å; S208-L211 PolarHBondContact O-N 3.45Å; L211-L214 PolarHBondContact O-N 2.79Å; L211-G215 PolarHBondContact O-N 3.25Å; L211-L242 HydrophobicContact CD1-CB 3.7Å; L211-L242 HydrophobicContact CD1-CD1 4.04Å; L211-L242 HydrophobicContact CD1-CG 4.36Å; L211-I243 HydrophobicContact CD2-CG1 3.95Å
212	D	85.7	Confident	81.2	Confident	30 Å²	30	41.2 Å²	41.2	16%	0.16	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-41.3	173.2	-179.8	64.9	0	0	0	111.5	S77 S208 G215 K216 Y320	S77-D212 WeakPolarHBondContact CB-OD2 3.22Å; S77-D212 PolarHBondContact OG-OD2 2.89Å; S208-D212 PolarHBondContact O-N 2.95Å; D212-G215 PolarHBondContact O-N 3Å; D212-K216 PolarHBondContact O-N 3.44Å; D212-K216 VanDerWaalsContact O-N 3.16Å; D212-K216 WeakPolarHBondContact OD1-CE 3.5Å; D212-K216 IonicContact OD1-NZ 3.33Å; D212-K216 PolarHBondContact OD1-NZ 2.91Å; D212-K216 IonicContact OD2-NZ 2.68Å; D212-K216 PolarHBondContact OD2-NZ 3.49Å; D212-Y320 HydrophobicContact CB-CE2 4.28Å; D212-Y320 WeakPolarHBondContact CB-OH 3.39Å
213	L	81.4	Confident	80.6	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-45.2	173.7	-68.8	172.7	0	0	0	112.3	C74 A209 G215 K216 H217 I292 L313 L316	C74-L213 HydrophobicContact CB-CD2 4.35Å; A209-L213 WeakPolarHBondContact O-CG 3.22Å; A209-L213 PolarHBondContact O-N 2.84Å; L213-G215 PolarHBondContact O-N 3.17Å; L213-K216 PolarHBondContact O-N 3.15Å; L213-H217 PolarHBondContact O-N 2.85Å; L213-H217 VanDerWaalsContact O-N 3.11Å; L213-I292 HydrophobicContact CB-CD1 4.43Å; L213-L313 HydrophobicContact CD1-CD1 3.86Å; L213-L316 HydrophobicContact CD2-CD2 4.35Å; L213-L316 HydrophobicContact CG-CD2 4.11Å
214	L	79.7	Confident	80.3	Confident	10 Å²	10	44.9 Å²	44.9	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-47.2	173.8	-82	-166.5	0	0	0	112.3	V210 L211 K216 H217 D218 L221 M248 A269 F271 V290 I292	V210-L214 PolarHBondContact O-N 2.69Å; V210-L214 VanDerWaalsContact O-N 3.14Å; L211-L214 PolarHBondContact O-N 2.79Å; L214-K216 PolarHBondContact O-N 3.13Å; L214-H217 PolarHBondContact O-N 3.17Å; L214-D218 PolarHBondContact O-N 3.48Å; L214-L221 HydrophobicContact CB-CD2 4.14Å; L214-M248 HydrophobicContact CD1-CE 4.26Å; L214-M248 HydrophobicContact CD1-SD 4.17Å; L214-A269 HydrophobicContact CD2-CB 3.95Å; L214-F271 HydrophobicContact CD1-CE1 4.35Å; L214-F271 HydrophobicContact CD1-CE2 4.37Å; L214-F271 HydrophobicContact CD1-CZ 3.54Å; L214-F271 HydrophobicContact CD2-CE1 4.21Å; L214-F271 HydrophobicContact CD2-CZ 4.17Å; L214-F271 HydrophobicContact CG-CE1 4.3Å; L214-F271 HydrophobicContact CG-CZ 3.78Å; L214-V290 HydrophobicContact CD2-CG1 4.38Å; L214-I292 HydrophobicContact CD2-CD1 4.46Å
215	G	75.3	Confident	80.2	Confident	42 Å²	42	45.6 Å²	45.6	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-68.1	-16.2	-175.8	0	0	0	0	0	114.5	L211 D212 L213	L211-G215 PolarHBondContact O-N 3.25Å; D212-G215 PolarHBondContact O-N 3Å; L213-G215 PolarHBondContact O-N 3.17Å
216	K	72.6	Confident	80.1	Confident	76 Å²	76	45.7 Å²	45.7	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-94.9	-29.9	173.7	-77.9	162.8	172.5	160	0	112.9	S77 E80 D212 L213 L214	S77-K216 VanDerWaalsContact OG-CD 3.26Å; S77-K216 WeakPolarHBondContact OG-CD 3.4Å; S77-K216 PolarHBondContact OG-NZ 3.4Å; E80-K216 WeakPolarHBondContact OE2-CE 3.24Å; E80-K216 IonicContact OE2-NZ 2.65Å; E80-K216 PolarHBondContact OE2-NZ 3.12Å; D212-K216 PolarHBondContact O-N 3.44Å; D212-K216 VanDerWaalsContact O-N 3.16Å; D212-K216 WeakPolarHBondContact OD1-CE 3.5Å; D212-K216 IonicContact OD1-NZ 3.33Å; D212-K216 PolarHBondContact OD1-NZ 2.91Å; D212-K216 IonicContact OD2-NZ 2.68Å; D212-K216 PolarHBondContact OD2-NZ 3.49Å; L213-K216 PolarHBondContact O-N 3.15Å; L214-K216 PolarHBondContact O-N 3.13Å
217	H	69.3	Low	80.2	Confident	101 Å²	101	44.6 Å²	44.6	47%	0.468	27%	0.269	S	S	.	.	H	α-helix	trans	-74.7	-24.4	173.9	-79.6	-36.2	0	0	0	114.8	E73 L213 L214	E73-H217 IonicContact OE2-CE1 4Å; E73-H217 PolarHBondContact OE2-CE1 3.43Å; E73-H217 IonicContact OE2-ND1 3.2Å; E73-H217 PolarHBondContact OE2-ND1 3.29Å; L213-H217 PolarHBondContact O-N 2.85Å; L213-H217 VanDerWaalsContact O-N 3.11Å; L214-H217 PolarHBondContact O-N 3.17Å
218	D	61.7	Low	80.2	Confident	60 Å²	60	44.6 Å²	44.6	32%	0.321	27%	0.269	S	S	.	.			trans	-144.1	131.9	-178.9	-164.4	-73.7	0	0	0	114.7	L214 S220 L221 K224	L214-D218 PolarHBondContact O-N 3.48Å; D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact O-N 3.26Å; D218-S220 PolarHBondContact OD1-N 2.73Å; D218-L221 HydrophobicContact CB-CD2 4.48Å; D218-K224 VanDerWaalsContact OD1-CE 3.28Å; D218-K224 WeakPolarHBondContact OD1-CE 3.45Å; D218-K224 IonicContact OD1-NZ 2.69Å; D218-K224 VanDerWaalsContact OD2-CE 3.22Å; D218-K224 WeakPolarHBondContact OD2-CE 3.39Å; D218-K224 IonicContact OD2-NZ 3.37Å; D218-K224 PolarHBondContact OD2-NZ 3.24Å
219	A	56.3	Low	79.9	Confident	114 Å²	114	43.6 Å²	43.6	94%	0.942	26%	0.262	S	S	*	.	S	Bend	trans	-74.7	-9.5	-176.7	0	0	0	0	0	115.2
220	S	69.9	Low	79.5	Confident	74 Å²	74	43.8 Å²	43.8	52%	0.517	26%	0.264	S	S	.	.			trans	-144.7	81.7	178.5	179.1	0	0	0	0	112.4	D218 K222 K224	D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact O-N 3.26Å; D218-S220 PolarHBondContact OD1-N 2.73Å; S220-K222 PolarHBondContact O-N 2.96Å; S220-K224 WeakPolarHBondContact O-CE 3.47Å
221	L	70.9	Confident	78.8	Confident	36 Å²	36	44.6 Å²	44.6	19%	0.188	27%	0.272	C	S	.	.			trans	-59.7	-28.1	172.7	-58.8	179.7	0	0	0	113.9	L214 D218 G223 K224 M248	L214-L221 HydrophobicContact CB-CD2 4.14Å; D218-L221 HydrophobicContact CB-CD2 4.48Å; L221-G223 PolarHBondContact O-N 2.91Å; L221-K224 WeakPolarHBondContact O-CB 3.45Å; L221-K224 PolarHBondContact O-N 2.8Å; L221-M248 HydrophobicContact CB-CE 4.07Å; L221-M248 HydrophobicContact CB-CG 4.31Å; L221-M248 HydrophobicContact CB-SD 4.11Å; L221-M248 HydrophobicContact CD1-CE 4.06Å; L221-M248 HydrophobicContact CD2-SD 4.41Å; L221-M248 HydrophobicContact CG-CE 4.47Å; L221-M248 WeakPolarHBondContact O-CG 3.22Å
222	K	79.3	Confident	78	Confident	171 Å²	171	49.4 Å²	49.4	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	126.7	-171.3	-173.4	176.4	-179.9	179	0	112.1	S220	S220-K222 PolarHBondContact O-N 2.96Å
223	G	79.1	Confident	77.7	Confident	61 Å²	61	49.5 Å²	49.5	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-9	179.5	0	0	0	0	0	115.1	L221 G247	L221-G223 PolarHBondContact O-N 2.91Å; G223-G247 PolarHBondContact N-O 3.18Å
224	K	86.5	Confident	77.7	Confident	58 Å²	58	49.8 Å²	49.8	25%	0.252	31%	0.306	S	S	.	.			trans	-69.2	164.8	176	-68.2	-175	179.3	-114.6	0	112.4	D218 S220 L221 M248 T249 D268	D218-K224 VanDerWaalsContact OD1-CE 3.28Å; D218-K224 WeakPolarHBondContact OD1-CE 3.45Å; D218-K224 IonicContact OD1-NZ 2.69Å; D218-K224 VanDerWaalsContact OD2-CE 3.22Å; D218-K224 WeakPolarHBondContact OD2-CE 3.39Å; D218-K224 IonicContact OD2-NZ 3.37Å; D218-K224 PolarHBondContact OD2-NZ 3.24Å; S220-K224 WeakPolarHBondContact O-CE 3.47Å; L221-K224 WeakPolarHBondContact O-CB 3.45Å; L221-K224 PolarHBondContact O-N 2.8Å; K224-M248 HydrophobicContact CB-CG 4.2Å; K224-M248 CarbonylContact O-C 3.57Å; K224-M248 WeakPolarHBondContact O-CA 3.46Å; K224-T249 PolarHBondContact O-N 3.39Å; K224-T249 PolarHBondContact O-OG1 2.94Å; K224-T249 VanDerWaalsContact O-OG1 3.11Å; K224-D268 WeakPolarHBondContact CA-OD2 3.47Å; K224-D268 HydrophobicContact CB-CB 4.16Å; K224-D268 HydrophobicContact CD-CB 4.36Å; K224-D268 HydrophobicContact CG-CB 4.4Å
225	S	89.7	Confident	78	Confident	21 Å²	21	51 Å²	51	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.4	-179.8	60.8	0	0	0	0	111.7	T249 Q266 A267 D268 A269	S225-T249 WeakPolarHBondContact CA-O 3.39Å; S225-T249 WeakPolarHBondContact CA-OG1 3.38Å; S225-Q266 PolarHBondContact OG-O 2.86Å; S225-A267 WeakPolarHBondContact OG-CA 3.45Å; S225-D268 PolarHBondContact N-OD2 3.43Å; S225-D268 WeakPolarHBondContact O-CB 3.5Å; S225-D268 PolarHBondContact O-N 3.2Å; S225-D268 PolarHBondContact OG-N 3.28Å; S225-D268 PolarHBondContact OG-OD2 3.41Å; S225-A269 PolarHBondContact O-N 3.32Å; S225-A269 VanDerWaalsContact O-N 3.14Å
226	V	91.5	Very high	78.6	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.4	178.3	-171.9	0	0	0	0	110.2	L228 I243 M248 T249 V250 Q251 A269 F271	V226-L228 HydrophobicContact CG1-CD2 4.29Å; V226-I243 HydrophobicContact CB-CG2 4.01Å; V226-I243 HydrophobicContact CG1-CD1 4.2Å; V226-I243 HydrophobicContact CG2-CG2 3.72Å; V226-M248 HydrophobicContact CG2-CB 4.39Å; V226-M248 HydrophobicContact CG2-SD 3.7Å; V226-T249 PolarHBondContact N-O 3.48Å; V226-V250 WeakPolarHBondContact O-CA 3.24Å; V226-Q251 PolarHBondContact O-N 3.22Å; V226-A269 CarbonylContact C-O 3.56Å; V226-A269 VanDerWaalsContact CA-O 3.32Å; V226-A269 WeakPolarHBondContact CA-O 3.41Å; V226-A269 HydrophobicContact CG1-CB 4.28Å; V226-A269 HydrophobicContact CG2-CB 4.31Å; V226-F271 HydrophobicContact CG1-CD1 4.48Å; V226-F271 HydrophobicContact CG1-CD2 3.97Å; V226-F271 HydrophobicContact CG1-CE1 4.43Å; V226-F271 HydrophobicContact CG1-CE2 3.94Å; V226-F271 HydrophobicContact CG1-CG 4.26Å; V226-F271 HydrophobicContact CG1-CZ 4.19Å
227	L	90.8	Very high	79.4	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.9	177.5	-179.6	67.2	0	0	0	110.8	V229 Q251 N253 L260 Q263 V264 A267 A269 V270 F271	L227-V229 HydrophobicContact CD2-CG2 3.82Å; L227-V229 HydrophobicContact CG-CG2 3.79Å; L227-Q251 WeakPolarHBondContact CA-O 3.31Å; L227-Q251 HydrophobicContact CD1-CB 3.8Å; L227-N253 HydrophobicContact CD1-CB 4.23Å; L227-L260 HydrophobicContact CD2-CD1 4.24Å; L227-Q263 HydrophobicContact CD1-CB 4.03Å; L227-Q263 HydrophobicContact CD2-CB 3.71Å; L227-Q263 HydrophobicContact CG-CB 4.5Å; L227-V264 HydrophobicContact CD2-CG2 3.73Å; L227-A267 HydrophobicContact CB-CB 3.83Å; L227-A269 PolarHBondContact N-O 3.4Å; L227-V270 HydrophobicContact CB-CG1 4.47Å; L227-V270 HydrophobicContact CB-CG2 4.32Å; L227-V270 HydrophobicContact CD2-CG1 4.35Å; L227-V270 CarbonylContact O-C 3.34Å; L227-V270 WeakPolarHBondContact O-CA 3.22Å; L227-F271 PolarHBondContact O-N 2.84Å
228	L	90.3	Very high	80.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.5	170.4	-50.7	-175.5	0	0	0	109.6	V226 R236 L239 Q240 I243 V250 Q251 T252 N253 F271 L273	V226-L228 HydrophobicContact CG1-CD2 4.29Å; L228-R236 HydrophobicContact CD1-CG 4.33Å; L228-L239 HydrophobicContact CD1-CB 4.24Å; L228-L239 HydrophobicContact CD2-CB 4.48Å; L228-Q240 HydrophobicContact CD1-CB 4.01Å; L228-I243 HydrophobicContact CD2-CD1 4.08Å; L228-V250 HydrophobicContact CD1-CG1 3.89Å; L228-V250 HydrophobicContact CG-CG1 3.91Å; L228-Q251 PolarHBondContact N-O 3Å; L228-T252 HydrophobicContact CB-CG2 4.02Å; L228-T252 HydrophobicContact CD1-CG2 4.02Å; L228-T252 HydrophobicContact CG-CG2 4.23Å; L228-T252 CarbonylContact O-C 3.47Å; L228-T252 VanDerWaalsContact O-CA 3.3Å; L228-T252 WeakPolarHBondContact O-CA 3.31Å; L228-N253 PolarHBondContact O-N 2.79Å; L228-F271 HydrophobicContact CD2-CB 3.8Å; L228-F271 HydrophobicContact CD2-CD2 3.55Å; L228-F271 HydrophobicContact CD2-CG 4.07Å; L228-L273 HydrophobicContact CB-CD1 4.03Å; L228-L273 HydrophobicContact CD1-CD1 4.36Å
229	V	86.6	Confident	81.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.3	-178.7	-173.8	0	0	0	0	110	L227 W255 L260 V270 F271 L272 L273	L227-V229 HydrophobicContact CD2-CG2 3.82Å; L227-V229 HydrophobicContact CG-CG2 3.79Å; V229-W255 HydrophobicContact CG1-CD2 3.84Å; V229-W255 HydrophobicContact CG1-CE3 3.88Å; V229-W255 HydrophobicContact CG1-CG 4.47Å; V229-W255 HydrophobicContact CG1-CH2 4.28Å; V229-W255 HydrophobicContact CG1-CZ2 4.21Å; V229-W255 HydrophobicContact CG1-CZ3 4.11Å; V229-L260 HydrophobicContact CB-CD1 4.49Å; V229-L260 HydrophobicContact CG1-CD1 3.84Å; V229-L260 HydrophobicContact CG1-CD2 4.29Å; V229-L260 HydrophobicContact CG2-CD1 3.79Å; V229-V270 HydrophobicContact CG2-CG1 3.84Å; V229-F271 PolarHBondContact N-O 2.81Å; V229-L272 HydrophobicContact CB-CD2 3.75Å; V229-L272 HydrophobicContact CG1-CD2 4.19Å; V229-L272 HydrophobicContact CG2-CD2 4.16Å; V229-L273 PolarHBondContact O-N 3.16Å
230	G	80.4	Confident	83.5	Confident	4 Å²	4	40.4 Å²	40.4	4%	0.041	23%	0.233	C	C	.	.	S	Bend	trans	74.4	-162.2	-179.4	0	0	0	0	0	113	R236 N253	G230-R236 PolarHBondContact O-NH1 2.89Å; G230-N253 PolarHBondContact N-O 3.42Å
231	G	72.3	Confident	84.5	Confident	16 Å²	16	37.7 Å²	37.7	17%	0.165	21%	0.213	C	C	.	.			trans	63.4	156.5	-178.9	0	0	0	0	0	116	R236 S274	G231-R236 WeakPolarHBondContact O-CD 3.38Å; G231-R236 PolarHBondContact O-NH1 2.75Å; G231-S274 PolarHBondContact N-OG 2.99Å; G231-S274 VanDerWaalsContact N-OG 3.08Å
232	Q	69.4	Low	85.5	Confident	133 Å²	133	37.2 Å²	37.2	62%	0.621	21%	0.211	S	C	*	.			trans	-142.8	161.8	169.7	-71.6	-58.6	-39	0	0	109.5	H254	Q232-H254 PolarHBondContact NE2-CE1 3.46Å
233	G	78.2	Confident	86	Confident	33 Å²	33	29.1 Å²	29.1	34%	0.34	18%	0.175	S	C	.	.	S	Bend	trans	80.2	-154.4	172.7	0	0	0	0	0	115.4	L235 R236 L237	G233-L235 PolarHBondContact O-N 3.12Å; G233-R236 PolarHBondContact O-N 2.83Å; G233-L237 PolarHBondContact O-N 2.71Å
234	P	82.9	Confident	86.5	Confident	32 Å²	32	30.3 Å²	30.3	21%	0.208	17%	0.165	C	C	.	.	H	α-helix	trans	-47.4	-54.3	-164.8	-34.6	38	0	0	0	116.1	I185 I190 R236 L237 A238	I185-P234 HydrophobicContact CB-CG 4.48Å; I185-P234 HydrophobicContact CG2-CB 4.36Å; I190-P234 HydrophobicContact CD1-CB 3.79Å; I190-P234 WeakPolarHBondContact CD1-O 3.29Å; I190-P234 HydrophobicContact CG1-CB 3.79Å; I190-P234 HydrophobicContact CG1-CG 4.37Å; P234-R236 PolarHBondContact O-N 2.76Å; P234-L237 PolarHBondContact O-N 2.66Å; P234-A238 WeakPolarHBondContact O-CB 3.4Å; P234-A238 PolarHBondContact O-N 3.03Å
235	L	85.4	Confident	86.6	Confident	35 Å²	35	33 Å²	33	18%	0.183	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-38.4	-172.4	179.4	59.9	0	0	0	112.9	P204 M206 A207 G233 A238 L239	P204-L235 HydrophobicContact CB-CD1 4.4Å; M206-L235 HydrophobicContact CB-CD1 4.01Å; M206-L235 HydrophobicContact CB-CD2 4.49Å; M206-L235 HydrophobicContact CG-CD1 4.03Å; M206-L235 HydrophobicContact CG-CD2 4.01Å; M206-L235 HydrophobicContact SD-CD2 4.34Å; A207-L235 HydrophobicContact CB-CD1 4.44Å; G233-L235 PolarHBondContact O-N 3.12Å; L235-A238 PolarHBondContact O-N 3.27Å; L235-L239 HydrophobicContact CD1-CD1 3.96Å; L235-L239 HydrophobicContact CD1-CG 4.12Å; L235-L239 HydrophobicContact CG-CD1 4.01Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 WeakPolarHBondContact O-CG 3.43Å; L235-L239 PolarHBondContact O-N 3.37Å
236	R	88	Confident	86.5	Confident	28 Å²	28	34.6 Å²	34.6	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-43.9	178.7	179.4	169.8	167.1	170.5	-6.3	111.6	L228 G230 G231 G233 P234 Q240 T252 L273	L228-R236 HydrophobicContact CD1-CG 4.33Å; G230-R236 PolarHBondContact O-NH1 2.89Å; G231-R236 WeakPolarHBondContact O-CD 3.38Å; G231-R236 PolarHBondContact O-NH1 2.75Å; G233-R236 PolarHBondContact O-N 2.83Å; P234-R236 PolarHBondContact O-N 2.76Å; R236-Q240 WeakPolarHBondContact O-CB 3.4Å; R236-Q240 PolarHBondContact O-N 2.84Å; R236-T252 VanDerWaalsContact NH2-CB 3.33Å; R236-T252 PolarHBondContact NH2-OG1 2.95Å; R236-L273 HydrophobicContact CB-CD1 3.65Å; R236-L273 HydrophobicContact CG-CD1 3.81Å
237	L	88.9	Confident	86.2	Confident	88 Å²	88	36 Å²	36	46%	0.461	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-40.4	177.1	-65.3	173.4	0	0	0	111.7	I190 G233 P234 C241	I190-L237 HydrophobicContact CG2-CD1 4.29Å; G233-L237 PolarHBondContact O-N 2.71Å; P234-L237 PolarHBondContact O-N 2.66Å; L237-C241 VanDerWaalsContact O-CB 3.29Å; L237-C241 WeakPolarHBondContact O-CB 3.47Å; L237-C241 PolarHBondContact O-N 3.45Å
238	A	90.9	Very high	86.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-51.8	177	0	0	0	0	0	112.3	I190 L193 P204 P234 L235 C241 L242	I190-A238 HydrophobicContact CD1-CB 4.12Å; L193-A238 HydrophobicContact CD2-CB 3.42Å; L193-A238 VanDerWaalsContact CD2-CB 3.42Å; P204-A238 HydrophobicContact CG-CB 3.61Å; P234-A238 WeakPolarHBondContact O-CB 3.4Å; P234-A238 PolarHBondContact O-N 3.03Å; L235-A238 PolarHBondContact O-N 3.27Å; A238-C241 PolarHBondContact O-N 3.29Å; A238-L242 WeakPolarHBondContact O-CB 3.48Å; A238-L242 WeakPolarHBondContact O-CD1 3.49Å; A238-L242 VanDerWaalsContact O-CG 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.28Å; A238-L242 PolarHBondContact O-N 3.21Å
239	L	90.5	Very high	86.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-51.5	176.6	-81.2	168.5	0	0	0	110.8	A207 V210 L228 L235 C241 L242 I243 F271 L273	A207-L239 HydrophobicContact CB-CD2 3.83Å; A207-L239 HydrophobicContact CB-CG 4.13Å; V210-L239 HydrophobicContact CB-CD2 4.27Å; V210-L239 HydrophobicContact CG1-CD2 4Å; L228-L239 HydrophobicContact CD1-CB 4.24Å; L228-L239 HydrophobicContact CD2-CB 4.48Å; L235-L239 HydrophobicContact CD1-CD1 3.96Å; L235-L239 HydrophobicContact CD1-CG 4.12Å; L235-L239 HydrophobicContact CG-CD1 4.01Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 WeakPolarHBondContact O-CG 3.43Å; L235-L239 PolarHBondContact O-N 3.37Å; L239-C241 PolarHBondContact O-N 2.8Å; L239-L242 PolarHBondContact O-N 2.8Å; L239-I243 HydrophobicContact CB-CD1 4.07Å; L239-I243 HydrophobicContact CD2-CD1 4.33Å; L239-I243 WeakPolarHBondContact O-CB 3.46Å; L239-I243 WeakPolarHBondContact O-CD1 3.41Å; L239-I243 WeakPolarHBondContact O-CG1 3.15Å; L239-I243 PolarHBondContact O-N 3.45Å; L239-F271 HydrophobicContact CD2-CD2 4.39Å; L239-F271 HydrophobicContact CD2-CE2 4.33Å; L239-L273 HydrophobicContact CD1-CD1 4.45Å; L239-L273 HydrophobicContact CD1-CD2 3.46Å; L239-L273 VanDerWaalsContact CD1-CD2 3.46Å
240	Q	91.6	Very high	86.4	Confident	55 Å²	55	41.3 Å²	41.3	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-52.6	-53.7	178.1	176.3	170	0.4	0	0	111.7	L228 R236 L242 I243 E244 V250	L228-Q240 HydrophobicContact CD1-CB 4.01Å; R236-Q240 WeakPolarHBondContact O-CB 3.4Å; R236-Q240 PolarHBondContact O-N 2.84Å; Q240-L242 VanDerWaalsContact C-N 3.34Å; Q240-L242 PolarHBondContact O-N 3.15Å; Q240-I243 PolarHBondContact O-N 2.77Å; Q240-E244 HydrophobicContact CG-CG 4.37Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.39Å; Q240-E244 PolarHBondContact NE2-OE1 3.12Å; Q240-E244 WeakPolarHBondContact O-CB 3.46Å; Q240-E244 VanDerWaalsContact O-CG 3.25Å; Q240-E244 WeakPolarHBondContact O-CG 3.48Å; Q240-E244 PolarHBondContact O-N 2.89Å; Q240-V250 HydrophobicContact CB-CG1 4.18Å; Q240-V250 HydrophobicContact CG-CB 4.15Å; Q240-V250 HydrophobicContact CG-CG1 3.88Å; Q240-V250 HydrophobicContact CG-CG2 4.46Å
241	C	91.3	Very high	86.9	Confident	16 Å²	16	44.9 Å²	44.9	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-35.6	-176	-171.5	0	0	0	0	113.3	V194 L237 A238 L239 R245	V194-C241 HydrophobicContact CG2-CB 4.47Å; L237-C241 VanDerWaalsContact O-CB 3.29Å; L237-C241 WeakPolarHBondContact O-CB 3.47Å; L237-C241 PolarHBondContact O-N 3.45Å; A238-C241 PolarHBondContact O-N 3.29Å; L239-C241 PolarHBondContact O-N 2.8Å; C241-R245 WeakPolarHBondContact O-CB 3.42Å; C241-R245 WeakPolarHBondContact O-CD 3.32Å; C241-R245 VanDerWaalsContact O-CG 3.23Å; C241-R245 WeakPolarHBondContact O-CG 3.17Å; C241-R245 PolarHBondContact O-N 3.03Å; C241-R245 PolarHBondContact SG-NH2 2.89Å; C241-R245 VanDerWaalsContact SG-NH2 3.39Å
242	L	91.2	Very high	87.7	Confident	27 Å²	27	46.4 Å²	46.4	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-73.2	-43.9	178.1	-70.4	162.1	0	0	0	111.9	L193 V203 A207 L211 A238 L239 Q240 R245 S246	L193-L242 HydrophobicContact CD1-CD1 4.46Å; L193-L242 HydrophobicContact CD1-CD2 4.08Å; L193-L242 HydrophobicContact CD1-CG 4.36Å; V203-L242 HydrophobicContact CG1-CD1 3.74Å; A207-L242 HydrophobicContact CB-CD1 3.84Å; L211-L242 HydrophobicContact CD1-CB 3.7Å; L211-L242 HydrophobicContact CD1-CD1 4.04Å; L211-L242 HydrophobicContact CD1-CG 4.36Å; A238-L242 WeakPolarHBondContact O-CB 3.48Å; A238-L242 WeakPolarHBondContact O-CD1 3.49Å; A238-L242 VanDerWaalsContact O-CG 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.28Å; A238-L242 PolarHBondContact O-N 3.21Å; L239-L242 PolarHBondContact O-N 2.8Å; Q240-L242 VanDerWaalsContact C-N 3.34Å; Q240-L242 PolarHBondContact O-N 3.15Å; L242-R245 PolarHBondContact O-N 3.07Å; L242-S246 PolarHBondContact O-N 2.97Å; L242-S246 PolarHBondContact O-OG 2.88Å
243	I	90.4	Very high	88.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-44.4	179	-64.5	160.9	0	0	0	110.3	L211 V226 L228 L239 Q240 R245 S246 M248 V250 F271	L211-I243 HydrophobicContact CD2-CG1 3.95Å; V226-I243 HydrophobicContact CB-CG2 4.01Å; V226-I243 HydrophobicContact CG1-CD1 4.2Å; V226-I243 HydrophobicContact CG2-CG2 3.72Å; L228-I243 HydrophobicContact CD2-CD1 4.08Å; L239-I243 HydrophobicContact CB-CD1 4.07Å; L239-I243 HydrophobicContact CD2-CD1 4.33Å; L239-I243 WeakPolarHBondContact O-CB 3.46Å; L239-I243 WeakPolarHBondContact O-CD1 3.41Å; L239-I243 WeakPolarHBondContact O-CG1 3.15Å; L239-I243 PolarHBondContact O-N 3.45Å; Q240-I243 PolarHBondContact O-N 2.77Å; I243-R245 VanDerWaalsContact C-N 3.32Å; I243-R245 PolarHBondContact O-N 3.19Å; I243-S246 WeakPolarHBondContact O-CB 3.19Å; I243-S246 PolarHBondContact O-N 3.01Å; I243-M248 HydrophobicContact CB-CE 4.39Å; I243-M248 HydrophobicContact CG2-CB 3.56Å; I243-M248 HydrophobicContact CG2-CE 3.81Å; I243-M248 HydrophobicContact CG2-CG 4.33Å; I243-M248 HydrophobicContact CG2-SD 3.97Å; I243-M248 WeakPolarHBondContact O-CB 3.43Å; I243-M248 PolarHBondContact O-N 3.3Å; I243-V250 HydrophobicContact CB-CG2 3.66Å; I243-V250 HydrophobicContact CG2-CG2 3.35Å; I243-F271 HydrophobicContact CD1-CD2 4Å; I243-F271 HydrophobicContact CD1-CE2 3.61Å; I243-F271 HydrophobicContact CG1-CE2 4.46Å
244	E	90.6	Very high	88.6	Confident	86 Å²	86	43.8 Å²	43.8	40%	0.402	23%	0.232	S	C	.	.	H	α-helix	trans	-58.5	-41.3	173.8	-73.6	170.1	177.1	0	0	111.9	Q240 S246 G247 V250	Q240-E244 HydrophobicContact CG-CG 4.37Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.39Å; Q240-E244 PolarHBondContact NE2-OE1 3.12Å; Q240-E244 WeakPolarHBondContact O-CB 3.46Å; Q240-E244 VanDerWaalsContact O-CG 3.25Å; Q240-E244 WeakPolarHBondContact O-CG 3.48Å; Q240-E244 PolarHBondContact O-N 2.89Å; E244-S246 PolarHBondContact O-N 3.32Å; E244-G247 PolarHBondContact O-N 3.03Å; E244-V250 HydrophobicContact CG-CB 4.15Å; E244-V250 HydrophobicContact CG-CG2 3.8Å
245	R	88.5	Confident	88.5	Confident	115 Å²	115	44 Å²	44	43%	0.434	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-30.1	176.2	-77.2	173.2	-177.2	161.8	7.1	114.1	L193 V194 G196 C241 L242 I243 G247	L193-R245 VanDerWaalsContact O-CZ 3.23Å; L193-R245 PolarHBondContact O-NH1 3.36Å; L193-R245 PolarHBondContact O-NH2 3.41Å; V194-R245 VanDerWaalsContact C-NH2 3.31Å; V194-R245 PolarHBondContact O-NH2 3.17Å; G196-R245 VanDerWaalsContact N-NH2 3.12Å; C241-R245 WeakPolarHBondContact O-CB 3.42Å; C241-R245 WeakPolarHBondContact O-CD 3.32Å; C241-R245 VanDerWaalsContact O-CG 3.23Å; C241-R245 WeakPolarHBondContact O-CG 3.17Å; C241-R245 PolarHBondContact O-N 3.03Å; C241-R245 PolarHBondContact SG-NH2 2.89Å; C241-R245 VanDerWaalsContact SG-NH2 3.39Å; L242-R245 PolarHBondContact O-N 3.07Å; I243-R245 VanDerWaalsContact C-N 3.32Å; I243-R245 PolarHBondContact O-N 3.19Å; R245-G247 PolarHBondContact O-N 2.86Å
246	S	86.4	Confident	88.1	Confident	55 Å²	55	50.1 Å²	50.1	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-1	169.4	-62.4	0	0	0	0	113.1	L242 I243 E244	L242-S246 PolarHBondContact O-N 2.97Å; L242-S246 PolarHBondContact O-OG 2.88Å; I243-S246 WeakPolarHBondContact O-CB 3.19Å; I243-S246 PolarHBondContact O-N 3.01Å; E244-S246 PolarHBondContact O-N 3.32Å
247	G	85.9	Confident	87.5	Confident	31 Å²	31	50.4 Å²	50.4	32%	0.32	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	17.9	178	0	0	0	0	0	113.9	G223 E244 R245	G223-G247 PolarHBondContact N-O 3.18Å; E244-G247 PolarHBondContact O-N 3.03Å; R245-G247 PolarHBondContact O-N 2.86Å
248	M	89.9	Confident	87	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.049	29%	0.29	C	S	.	.			trans	-89.2	162.4	170.3	-73.1	174.4	-82.8	0	0	110.8	L214 L221 K224 V226 I243	L214-M248 HydrophobicContact CD1-CE 4.26Å; L214-M248 HydrophobicContact CD1-SD 4.17Å; L221-M248 HydrophobicContact CB-CE 4.07Å; L221-M248 HydrophobicContact CB-CG 4.31Å; L221-M248 HydrophobicContact CB-SD 4.11Å; L221-M248 HydrophobicContact CD1-CE 4.06Å; L221-M248 HydrophobicContact CD2-SD 4.41Å; L221-M248 HydrophobicContact CG-CE 4.47Å; L221-M248 WeakPolarHBondContact O-CG 3.22Å; K224-M248 HydrophobicContact CB-CG 4.2Å; K224-M248 CarbonylContact O-C 3.57Å; K224-M248 WeakPolarHBondContact O-CA 3.46Å; V226-M248 HydrophobicContact CG2-CB 4.39Å; V226-M248 HydrophobicContact CG2-SD 3.7Å; I243-M248 HydrophobicContact CB-CE 4.39Å; I243-M248 HydrophobicContact CG2-CB 3.56Å; I243-M248 HydrophobicContact CG2-CE 3.81Å; I243-M248 HydrophobicContact CG2-CG 4.33Å; I243-M248 HydrophobicContact CG2-SD 3.97Å; I243-M248 WeakPolarHBondContact O-CB 3.43Å; I243-M248 PolarHBondContact O-N 3.3Å
249	T	90.1	Very high	86.6	Confident	79 Å²	79	56.8 Å²	56.8	49%	0.485	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.9	169.9	56	0	0	0	0	109.6	K224 S225 V226	K224-T249 PolarHBondContact O-N 3.39Å; K224-T249 PolarHBondContact O-OG1 2.94Å; K224-T249 VanDerWaalsContact O-OG1 3.11Å; S225-T249 WeakPolarHBondContact CA-O 3.39Å; S225-T249 WeakPolarHBondContact CA-OG1 3.38Å; V226-T249 PolarHBondContact N-O 3.48Å
250	V	92	Very high	86.3	Confident	25 Å²	25	56.9 Å²	56.9	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.4	179.4	179.3	0	0	0	0	110.3	V226 L228 Q240 I243 E244 T252	V226-V250 WeakPolarHBondContact O-CA 3.24Å; L228-V250 HydrophobicContact CD1-CG1 3.89Å; L228-V250 HydrophobicContact CG-CG1 3.91Å; Q240-V250 HydrophobicContact CB-CG1 4.18Å; Q240-V250 HydrophobicContact CG-CB 4.15Å; Q240-V250 HydrophobicContact CG-CG1 3.88Å; Q240-V250 HydrophobicContact CG-CG2 4.46Å; I243-V250 HydrophobicContact CB-CG2 3.66Å; I243-V250 HydrophobicContact CG2-CG2 3.35Å; E244-V250 HydrophobicContact CG-CB 4.15Å; E244-V250 HydrophobicContact CG-CG2 3.8Å; V250-T252 HydrophobicContact CG1-CG2 3.88Å
251	Q	90.6	Very high	85.9	Confident	78 Å²	78	59 Å²	59	36%	0.364	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.8	162.6	-61.7	-169.2	18.6	0	0	108.9	V226 L227 L228	V226-Q251 PolarHBondContact O-N 3.22Å; L227-Q251 WeakPolarHBondContact CA-O 3.31Å; L227-Q251 HydrophobicContact CD1-CB 3.8Å; L228-Q251 PolarHBondContact N-O 3Å
252	T	88.4	Confident	85.6	Confident	48 Å²	48	62 Å²	62	29%	0.294	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.9	176.2	77.4	0	0	0	0	110.5	L228 R236 V250	L228-T252 HydrophobicContact CB-CG2 4.02Å; L228-T252 HydrophobicContact CD1-CG2 4.02Å; L228-T252 HydrophobicContact CG-CG2 4.23Å; L228-T252 CarbonylContact O-C 3.47Å; L228-T252 VanDerWaalsContact O-CA 3.3Å; L228-T252 WeakPolarHBondContact O-CA 3.31Å; R236-T252 VanDerWaalsContact NH2-CB 3.33Å; R236-T252 PolarHBondContact NH2-OG1 2.95Å; V250-T252 HydrophobicContact CG1-CG2 3.88Å
253	N	85.6	Confident	85.3	Confident	15 Å²	15	62.4 Å²	62.4	8%	0.08	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	169.5	-177.3	-157	-0.2	0	0	0	112	L227 L228 G230 S257 S259 L260 Q263	L227-N253 HydrophobicContact CD1-CB 4.23Å; L228-N253 PolarHBondContact O-N 2.79Å; G230-N253 PolarHBondContact N-O 3.42Å; N253-S257 WeakPolarHBondContact ND2-CB 3.47Å; N253-S257 PolarHBondContact ND2-OG 2.95Å; N253-S257 VanDerWaalsContact ND2-OG 3.16Å; N253-S257 WeakPolarHBondContact OD1-CB 3.36Å; N253-S257 PolarHBondContact OD1-OG 2.66Å; N253-S259 PolarHBondContact ND2-OG 2.77Å; N253-S259 VanDerWaalsContact ND2-OG 3.07Å; N253-L260 HydrophobicContact CB-CD1 4.42Å; N253-Q263 PolarHBondContact ND2-OE1 2.79Å
254	H	82.1	Confident	85.1	Confident	97 Å²	97	62.4 Å²	62.4	45%	0.449	34%	0.335	S	S	.	.			trans	-110.2	151.9	179.8	-65.3	-117.3	0	0	0	110.1	Q232 N256 S257	Q232-H254 PolarHBondContact NE2-CE1 3.46Å; H254-N256 PolarHBondContact O-N 2.88Å; H254-S257 WeakPolarHBondContact O-CB 3.34Å; H254-S257 PolarHBondContact O-N 2.9Å
255	W	79.2	Confident	84.8	Confident	36 Å²	36	61.8 Å²	61.8	14%	0.136	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-38.3	-179.3	-71.7	115.4	0	0	0	114.2	V229 S257 L260 L272 S274 M278 I280	V229-W255 HydrophobicContact CG1-CD2 3.84Å; V229-W255 HydrophobicContact CG1-CE3 3.88Å; V229-W255 HydrophobicContact CG1-CG 4.47Å; V229-W255 HydrophobicContact CG1-CH2 4.28Å; V229-W255 HydrophobicContact CG1-CZ2 4.21Å; V229-W255 HydrophobicContact CG1-CZ3 4.11Å; W255-S257 PolarHBondContact O-N 2.83Å; W255-S257 VanDerWaalsContact O-N 3.17Å; W255-L260 HydrophobicContact CE3-CD2 4.28Å; W255-L272 HydrophobicContact CH2-CB 4.47Å; W255-L272 HydrophobicContact CH2-CD1 4.05Å; W255-L272 HydrophobicContact CH2-CD2 3.49Å; W255-L272 VanDerWaalsContact CH2-CD2 3.49Å; W255-L272 HydrophobicContact CH2-CG 4.2Å; W255-L272 HydrophobicContact CZ2-CB 4.29Å; W255-L272 HydrophobicContact CZ2-CD2 3.9Å; W255-L272 HydrophobicContact CZ2-CG 4.5Å; W255-L272 HydrophobicContact CZ3-CD2 4.28Å; W255-S274 VanDerWaalsContact CZ2-O 3.29Å; W255-S274 WeakPolarHBondContact CZ2-O 3.11Å; W255-S274 PolarHBondContact NE1-O 2.69Å; W255-M278 WeakPolarHBondContact CZ3-O 3.06Å; W255-I280 HydrophobicContact CZ3-CG1 4.34Å
256	N	77.2	Confident	84.7	Confident	163 Å²	163	61.9 Å²	61.9	87%	0.872	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	28.3	-174.7	-58.5	-1.2	0	0	0	113.5	H254	H254-N256 PolarHBondContact O-N 2.88Å
257	S	77.1	Confident	84.7	Confident	35 Å²	35	59.5 Å²	59.5	25%	0.245	32%	0.322	C	S	.	.			trans	-104.5	124	-169	-170.9	0	0	0	0	113.2	N253 H254 W255 S259 L260	N253-S257 WeakPolarHBondContact ND2-CB 3.47Å; N253-S257 PolarHBondContact ND2-OG 2.95Å; N253-S257 VanDerWaalsContact ND2-OG 3.16Å; N253-S257 WeakPolarHBondContact OD1-CB 3.36Å; N253-S257 PolarHBondContact OD1-OG 2.66Å; H254-S257 WeakPolarHBondContact O-CB 3.34Å; H254-S257 PolarHBondContact O-N 2.9Å; W255-S257 PolarHBondContact O-N 2.83Å; W255-S257 VanDerWaalsContact O-N 3.17Å; S257-S259 PolarHBondContact O-N 3.34Å; S257-S259 PolarHBondContact OG-OG 2.96Å; S257-L260 WeakPolarHBondContact O-CB 3.21Å; S257-L260 PolarHBondContact O-N 2.97Å
258	N	77.3	Confident	84.7	Confident	172 Å²	172	60 Å²	60	92%	0.92	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.7	179.6	-67.3	-14	0	0	0	113.9
259	S	82	Confident	84.6	Confident	49 Å²	49	59.7 Å²	59.7	34%	0.343	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.5	175.6	60.6	0	0	0	0	114.3	N253 S257 K261 T262 Q263	N253-S259 PolarHBondContact ND2-OG 2.77Å; N253-S259 VanDerWaalsContact ND2-OG 3.07Å; S257-S259 PolarHBondContact O-N 3.34Å; S257-S259 PolarHBondContact OG-OG 2.96Å; S259-K261 PolarHBondContact O-N 2.88Å; S259-T262 WeakPolarHBondContact O-CB 3.06Å; S259-T262 PolarHBondContact O-N 2.83Å; S259-T262 VanDerWaalsContact O-N 3.08Å; S259-Q263 PolarHBondContact O-N 2.87Å; S259-Q263 VanDerWaalsContact O-N 3.09Å
260	L	84.3	Confident	84.4	Confident	2 Å²	2	56 Å²	56	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-50.8	-167.8	-178.4	60.1	0	0	0	112.2	L227 V229 N253 W255 S257 T262 Q263 V264 M278 W284	L227-L260 HydrophobicContact CD2-CD1 4.24Å; V229-L260 HydrophobicContact CB-CD1 4.49Å; V229-L260 HydrophobicContact CG1-CD1 3.84Å; V229-L260 HydrophobicContact CG1-CD2 4.29Å; V229-L260 HydrophobicContact CG2-CD1 3.79Å; N253-L260 HydrophobicContact CB-CD1 4.42Å; W255-L260 HydrophobicContact CE3-CD2 4.28Å; S257-L260 WeakPolarHBondContact O-CB 3.21Å; S257-L260 PolarHBondContact O-N 2.97Å; L260-T262 VanDerWaalsContact C-N 3.29Å; L260-T262 PolarHBondContact O-N 3.37Å; L260-Q263 PolarHBondContact O-N 3.02Å; L260-Q263 VanDerWaalsContact O-N 3.11Å; L260-V264 HydrophobicContact CD1-CG2 4.14Å; L260-V264 HydrophobicContact CG-CG2 4.37Å; L260-V264 WeakPolarHBondContact O-CG2 3.43Å; L260-V264 PolarHBondContact O-N 2.83Å; L260-M278 HydrophobicContact CD2-CE 4.38Å; L260-W284 HydrophobicContact CD2-CZ3 4.28Å; L260-W284 HydrophobicContact CG-CZ3 4.2Å
261	K	83.9	Confident	84.2	Confident	101 Å²	101	54.8 Å²	54.8	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-55	-42.4	177.3	-179.4	175.7	-177.2	-177.2	0	112.9	S259 Q263 L265 W284	S259-K261 PolarHBondContact O-N 2.88Å; K261-Q263 VanDerWaalsContact C-N 3.34Å; K261-L265 HydrophobicContact CG-CD1 4.31Å; K261-L265 WeakPolarHBondContact O-CG 3.3Å; K261-L265 PolarHBondContact O-N 2.83Å; K261-L265 VanDerWaalsContact O-N 3.16Å; K261-W284 HydrophobicContact CB-CD2 3.84Å; K261-W284 HydrophobicContact CB-CE3 3.76Å; K261-W284 HydrophobicContact CB-CG 4.5Å; K261-W284 HydrophobicContact CB-CH2 4.21Å; K261-W284 HydrophobicContact CB-CZ2 4.28Å; K261-W284 HydrophobicContact CB-CZ3 3.96Å; K261-W284 HydrophobicContact CD-CD2 4.12Å; K261-W284 HydrophobicContact CD-CG 4.26Å; K261-W284 HydrophobicContact CD-CZ2 4.36Å; K261-W284 HydrophobicContact CG-CB 4.5Å; K261-W284 HydrophobicContact CG-CD2 3.67Å; K261-W284 HydrophobicContact CG-CE3 4.11Å; K261-W284 HydrophobicContact CG-CG 3.85Å
262	T	84.1	Confident	84	Confident	78 Å²	78	51.4 Å²	51.4	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-66.9	-37.3	-179.7	-51.2	0	0	0	0	111.5	S259 L260 Q266	S259-T262 WeakPolarHBondContact O-CB 3.06Å; S259-T262 PolarHBondContact O-N 2.83Å; S259-T262 VanDerWaalsContact O-N 3.08Å; L260-T262 VanDerWaalsContact C-N 3.29Å; L260-T262 PolarHBondContact O-N 3.37Å; T262-Q266 VanDerWaalsContact O-CG 3.25Å; T262-Q266 WeakPolarHBondContact O-CG 3.22Å; T262-Q266 PolarHBondContact O-N 3.13Å
263	Q	86.6	Confident	83.5	Confident	36 Å²	36	49.6 Å²	49.6	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-74.7	-37.6	177.6	-70	-179.9	-42.8	0	0	112.7	L227 N253 S259 L260 K261 L265 Q266 A267	L227-Q263 HydrophobicContact CD1-CB 4.03Å; L227-Q263 HydrophobicContact CD2-CB 3.71Å; L227-Q263 HydrophobicContact CG-CB 4.5Å; N253-Q263 PolarHBondContact ND2-OE1 2.79Å; S259-Q263 PolarHBondContact O-N 2.87Å; S259-Q263 VanDerWaalsContact O-N 3.09Å; L260-Q263 PolarHBondContact O-N 3.02Å; L260-Q263 VanDerWaalsContact O-N 3.11Å; K261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-L265 VanDerWaalsContact C-N 3.3Å; Q263-L265 PolarHBondContact O-N 3.35Å; Q263-Q266 CarbonylContact O-C 3.55Å; Q263-Q266 PolarHBondContact O-N 2.83Å; Q263-A267 WeakPolarHBondContact O-CB 3.49Å; Q263-A267 PolarHBondContact O-N 3.13Å
264	V	85.7	Confident	82.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-41	174.3	177	0	0	0	0	110.5	L227 L260 Q266 A267 V270 I280 W284	L227-V264 HydrophobicContact CD2-CG2 3.73Å; L260-V264 HydrophobicContact CD1-CG2 4.14Å; L260-V264 HydrophobicContact CG-CG2 4.37Å; L260-V264 WeakPolarHBondContact O-CG2 3.43Å; L260-V264 PolarHBondContact O-N 2.83Å; V264-Q266 VanDerWaalsContact C-N 3.25Å; V264-Q266 PolarHBondContact O-N 2.81Å; V264-A267 PolarHBondContact O-N 3.21Å; V264-V270 HydrophobicContact CG1-CG2 4.21Å; V264-V270 HydrophobicContact CG2-CG1 4.44Å; V264-I280 HydrophobicContact CG1-CD1 4.3Å; V264-I280 HydrophobicContact CG1-CG2 3.87Å; V264-I280 HydrophobicContact CG2-CD1 3.9Å; V264-W284 CarbonylContact C-O 3.47Å; V264-W284 HydrophobicContact CB-CB 4.46Å; V264-W284 HydrophobicContact CG1-CB 3.97Å; V264-W284 VanDerWaalsContact CG1-O 3.26Å; V264-W284 WeakPolarHBondContact CG1-O 3.19Å
265	L	84.9	Confident	81.4	Confident	73 Å²	73	50.4 Å²	50.4	38%	0.382	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-26.2	174.1	-75	168.1	0	0	0	113.7	K261 Q263 W284 R286	K261-L265 HydrophobicContact CG-CD1 4.31Å; K261-L265 WeakPolarHBondContact O-CG 3.3Å; K261-L265 PolarHBondContact O-N 2.83Å; K261-L265 VanDerWaalsContact O-N 3.16Å; Q263-L265 VanDerWaalsContact C-N 3.3Å; Q263-L265 PolarHBondContact O-N 3.35Å; L265-W284 WeakPolarHBondContact CA-O 3.27Å; L265-W284 WeakPolarHBondContact CD2-O 3.44Å; L265-W284 VanDerWaalsContact CG-O 3.23Å; L265-W284 WeakPolarHBondContact CG-O 3.37Å; L265-W284 PolarHBondContact N-O 3.28Å; L265-R286 WeakPolarHBondContact O-CD 3.46Å; L265-R286 PolarHBondContact O-NE 2.92Å
266	Q	84.8	Confident	80.1	Confident	117 Å²	117	49.9 Å²	49.9	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-93	-16.6	-178.7	-73.8	173.1	-8.6	0	0	113.5	S225 T262 Q263 V264	S225-Q266 PolarHBondContact OG-O 2.86Å; T262-Q266 VanDerWaalsContact O-CG 3.25Å; T262-Q266 WeakPolarHBondContact O-CG 3.22Å; T262-Q266 PolarHBondContact O-N 3.13Å; Q263-Q266 CarbonylContact O-C 3.55Å; Q263-Q266 PolarHBondContact O-N 2.83Å; V264-Q266 VanDerWaalsContact C-N 3.25Å; V264-Q266 PolarHBondContact O-N 2.81Å
267	A	87.6	Confident	79	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.033	29%	0.293	C	S	.	.			trans	-84.3	142.8	-175.8	0	0	0	0	0	112.5	S225 L227 Q263 V264 V270 R286 T289	S225-A267 WeakPolarHBondContact OG-CA 3.45Å; L227-A267 HydrophobicContact CB-CB 3.83Å; Q263-A267 WeakPolarHBondContact O-CB 3.49Å; Q263-A267 PolarHBondContact O-N 3.13Å; V264-A267 PolarHBondContact O-N 3.21Å; A267-V270 HydrophobicContact CB-CG2 3.72Å; A267-R286 PolarHBondContact O-NH2 3.1Å; A267-T289 PolarHBondContact O-OG1 3Å
268	D	86.3	Confident	78.1	Confident	42 Å²	42	52.9 Å²	52.9	23%	0.225	30%	0.3	C	S	.	.	S	Bend	trans	-85.6	-27.9	172.5	-52.4	-60.9	0	0	0	111.1	K224 S225 R286 T289 V290	K224-D268 WeakPolarHBondContact CA-OD2 3.47Å; K224-D268 HydrophobicContact CB-CB 4.16Å; K224-D268 HydrophobicContact CD-CB 4.36Å; K224-D268 HydrophobicContact CG-CB 4.4Å; S225-D268 PolarHBondContact N-OD2 3.43Å; S225-D268 WeakPolarHBondContact O-CB 3.5Å; S225-D268 PolarHBondContact O-N 3.2Å; S225-D268 PolarHBondContact OG-N 3.28Å; S225-D268 PolarHBondContact OG-OD2 3.41Å; D268-R286 IonicContact OD1-CZ 2.9Å; D268-R286 IonicContact OD1-NH1 3.96Å; D268-R286 PolarHBondContact OD1-NH1 2.76Å; D268-R286 IonicContact OD1-NH2 2.7Å; D268-R286 PolarHBondContact OD1-NH2 2.84Å; D268-T289 WeakPolarHBondContact O-CA 3.31Å; D268-V290 PolarHBondContact O-N 3.28Å; D268-V290 VanDerWaalsContact O-N 3.07Å
269	A	87.1	Confident	77.5	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.7	165.6	0	0	0	0	0	112.3	L214 S225 V226 L227 F271 V290	L214-A269 HydrophobicContact CD2-CB 3.95Å; S225-A269 PolarHBondContact O-N 3.32Å; S225-A269 VanDerWaalsContact O-N 3.14Å; V226-A269 CarbonylContact C-O 3.56Å; V226-A269 VanDerWaalsContact CA-O 3.32Å; V226-A269 WeakPolarHBondContact CA-O 3.41Å; V226-A269 HydrophobicContact CG1-CB 4.28Å; V226-A269 HydrophobicContact CG2-CB 4.31Å; L227-A269 PolarHBondContact N-O 3.4Å; A269-F271 HydrophobicContact CB-CE1 4.12Å; A269-V290 CarbonylContact C-O 3.6Å; A269-V290 WeakPolarHBondContact CA-O 3.49Å; A269-V290 HydrophobicContact CB-CB 4.23Å
270	V	86.6	Confident	77	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120	-177.9	-175.8	0	0	0	0	110	L227 V229 V264 A267 L272 I280 T289 V290 I291 I292	L227-V270 HydrophobicContact CB-CG1 4.47Å; L227-V270 HydrophobicContact CB-CG2 4.32Å; L227-V270 HydrophobicContact CD2-CG1 4.35Å; L227-V270 CarbonylContact O-C 3.34Å; L227-V270 WeakPolarHBondContact O-CA 3.22Å; V229-V270 HydrophobicContact CG2-CG1 3.84Å; V264-V270 HydrophobicContact CG1-CG2 4.21Å; V264-V270 HydrophobicContact CG2-CG1 4.44Å; A267-V270 HydrophobicContact CB-CG2 3.72Å; V270-L272 HydrophobicContact CG1-CD2 4.32Å; V270-I280 HydrophobicContact CG1-CD1 3.67Å; V270-T289 HydrophobicContact CG2-CG2 3.84Å; V270-V290 PolarHBondContact N-O 3.12Å; V270-I291 WeakPolarHBondContact O-CA 3.4Å; V270-I292 PolarHBondContact O-N 3.44Å
271	F	87.6	Confident	76.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.3	-176.8	-63.1	-12.3	0	0	0	111	V210 L214 V226 L227 L228 V229 L239 I243 A269 L273 I292	V210-F271 HydrophobicContact CG1-CD1 4.39Å; V210-F271 HydrophobicContact CG1-CD2 3.8Å; V210-F271 HydrophobicContact CG1-CE1 3.88Å; V210-F271 HydrophobicContact CG1-CE2 3.18Å; V210-F271 HydrophobicContact CG1-CG 4.36Å; V210-F271 HydrophobicContact CG1-CZ 3.21Å; L214-F271 HydrophobicContact CD1-CE1 4.35Å; L214-F271 HydrophobicContact CD1-CE2 4.37Å; L214-F271 HydrophobicContact CD1-CZ 3.54Å; L214-F271 HydrophobicContact CD2-CE1 4.21Å; L214-F271 HydrophobicContact CD2-CZ 4.17Å; L214-F271 HydrophobicContact CG-CE1 4.3Å; L214-F271 HydrophobicContact CG-CZ 3.78Å; V226-F271 HydrophobicContact CG1-CD1 4.48Å; V226-F271 HydrophobicContact CG1-CD2 3.97Å; V226-F271 HydrophobicContact CG1-CE1 4.43Å; V226-F271 HydrophobicContact CG1-CE2 3.94Å; V226-F271 HydrophobicContact CG1-CG 4.26Å; V226-F271 HydrophobicContact CG1-CZ 4.19Å; L227-F271 PolarHBondContact O-N 2.84Å; L228-F271 HydrophobicContact CD2-CB 3.8Å; L228-F271 HydrophobicContact CD2-CD2 3.55Å; L228-F271 HydrophobicContact CD2-CG 4.07Å; V229-F271 PolarHBondContact N-O 2.81Å; L239-F271 HydrophobicContact CD2-CD2 4.39Å; L239-F271 HydrophobicContact CD2-CE2 4.33Å; I243-F271 HydrophobicContact CD1-CD2 4Å; I243-F271 HydrophobicContact CD1-CE2 3.61Å; I243-F271 HydrophobicContact CG1-CE2 4.46Å; A269-F271 HydrophobicContact CB-CE1 4.12Å; F271-L273 HydrophobicContact CB-CD2 4.05Å; F271-I292 WeakPolarHBondContact CA-O 3.25Å; F271-I292 HydrophobicContact CD1-CB 3.81Å; F271-I292 HydrophobicContact CD1-CD1 4.33Å; F271-I292 HydrophobicContact CD1-CG1 4.07Å; F271-I292 HydrophobicContact CE1-CB 4.03Å; F271-I292 HydrophobicContact CE1-CD1 3.63Å; F271-I292 HydrophobicContact CE1-CG1 3.81Å; F271-I292 HydrophobicContact CZ-CD1 4.28Å
272	L	85.3	Confident	75.9	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.1	-179	-55.4	-179.9	0	0	0	109.1	V229 W255 V270 I280 I291 I292 C294	V229-L272 HydrophobicContact CB-CD2 3.75Å; V229-L272 HydrophobicContact CG1-CD2 4.19Å; V229-L272 HydrophobicContact CG2-CD2 4.16Å; W255-L272 HydrophobicContact CH2-CB 4.47Å; W255-L272 HydrophobicContact CH2-CD1 4.05Å; W255-L272 HydrophobicContact CH2-CD2 3.49Å; W255-L272 VanDerWaalsContact CH2-CD2 3.49Å; W255-L272 HydrophobicContact CH2-CG 4.2Å; W255-L272 HydrophobicContact CZ2-CB 4.29Å; W255-L272 HydrophobicContact CZ2-CD2 3.9Å; W255-L272 HydrophobicContact CZ2-CG 4.5Å; W255-L272 HydrophobicContact CZ3-CD2 4.28Å; V270-L272 HydrophobicContact CG1-CD2 4.32Å; L272-I280 HydrophobicContact CD2-CD1 3.65Å; L272-I280 HydrophobicContact CD2-CG1 4.24Å; L272-I291 HydrophobicContact CD1-CG2 4.28Å; L272-I292 PolarHBondContact N-O 3.09Å; L272-C294 CarbonylContact O-C 3.52Å; L272-C294 WeakPolarHBondContact O-CA 3.35Å; L272-C294 WeakPolarHBondContact O-CB 3.44Å; L272-C294 PolarHBondContact O-N 3.48Å
273	L	78	Confident	75.5	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.052	31%	0.311	C	S	.	.			trans	-93.2	-5.1	-168.4	-54.6	-169.2	0	0	0	114.7	L228 V229 R236 L239 F271 C294	L228-L273 HydrophobicContact CB-CD1 4.03Å; L228-L273 HydrophobicContact CD1-CD1 4.36Å; V229-L273 PolarHBondContact O-N 3.16Å; R236-L273 HydrophobicContact CB-CD1 3.65Å; R236-L273 HydrophobicContact CG-CD1 3.81Å; L239-L273 HydrophobicContact CD1-CD1 4.45Å; L239-L273 HydrophobicContact CD1-CD2 3.46Å; L239-L273 VanDerWaalsContact CD1-CD2 3.46Å; F271-L273 HydrophobicContact CB-CD2 4.05Å; L273-C294 HydrophobicContact CD2-CB 3.78Å
274	S	67.4	Low	75.2	Confident	46 Å²	46	52.8 Å²	52.8	32%	0.322	31%	0.311	S	S	.	.	S	Bend	trans	-162	145.2	172.3	65.7	0	0	0	0	107.8	G231 W255 G276	G231-S274 PolarHBondContact N-OG 2.99Å; G231-S274 VanDerWaalsContact N-OG 3.08Å; W255-S274 VanDerWaalsContact CZ2-O 3.29Å; W255-S274 WeakPolarHBondContact CZ2-O 3.11Å; W255-S274 PolarHBondContact NE1-O 2.69Å; S274-G276 PolarHBondContact O-N 2.96Å
275	A	56.2	Low	74.8	Confident	84 Å²	84	53.8 Å²	53.8	69%	0.694	32%	0.32	S	S	*	.			trans	-51.4	138.6	168.8	0	0	0	0	0	110.3
276	G	53.2	Low	74.7	Confident	24 Å²	24	54.5 Å²	54.5	25%	0.247	32%	0.317	C	S	.	.			trans	-118.6	165.5	165	0	0	0	0	0	108.4	S274 M278	S274-G276 PolarHBondContact O-N 2.96Å; G276-M278 PolarHBondContact O-N 3.39Å
277	N	53.2	Low	74.1	Confident	181 Å²	181	55.8 Å²	55.8	97%	0.968	34%	0.336	S	S	*	.	S	Bend	trans	-72.3	25.8	-179.5	-55.6	27.9	0	0	0	113.2
278	M	58.3	Low	73.5	Confident	80 Å²	80	63.6 Å²	63.6	39%	0.394	37%	0.372	S	S	.	.	S	Bend	trans	-167.2	117.4	-170.4	-175.3	-176.2	74	0	0	110.5	W255 L260 G276 W284	W255-M278 WeakPolarHBondContact CZ3-O 3.06Å; L260-M278 HydrophobicContact CD2-CE 4.38Å; G276-M278 PolarHBondContact O-N 3.39Å; M278-W284 HydrophobicContact CE-CH2 3.77Å; M278-W284 HydrophobicContact CE-CZ3 4.09Å; M278-W284 HydrophobicContact SD-CH2 4.33Å
279	D	64.9	Low	73.1	Confident	121 Å²	121	62.4 Å²	62.4	65%	0.647	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-67	156.1	166.3	-79.7	-57.7	0	0	0	112.2	P281 H293	D279-P281 WeakPolarHBondContact O-CD 3.48Å; D279-H293 IonicContact OD1-CE1 2.69Å
280	I	71.3	Confident	72.8	Confident	16 Å²	16	64.3 Å²	64.3	8%	0.082	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-72.6	117	168.1	-66.5	-174.5	0	0	0	108.7	W255 V264 V270 L272 W284 I291	W255-I280 HydrophobicContact CZ3-CG1 4.34Å; V264-I280 HydrophobicContact CG1-CD1 4.3Å; V264-I280 HydrophobicContact CG1-CG2 3.87Å; V264-I280 HydrophobicContact CG2-CD1 3.9Å; V270-I280 HydrophobicContact CG1-CD1 3.67Å; L272-I280 HydrophobicContact CD2-CD1 3.65Å; L272-I280 HydrophobicContact CD2-CG1 4.24Å; I280-W284 HydrophobicContact CG2-CB 4.02Å; I280-I291 HydrophobicContact CG2-CD1 4.29Å
281	P	76	Confident	72.5	Confident	44 Å²	44	67.2 Å²	67.2	29%	0.286	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-65.6	141.7	176.6	-20.5	34.7	0	0	0	110.8	D279 S283 W284	D279-P281 WeakPolarHBondContact O-CD 3.48Å; P281-S283 PolarHBondContact O-N 3.24Å; P281-W284 HydrophobicContact CB-CG 4.47Å; P281-W284 HydrophobicContact CG-CD2 4.31Å; P281-W284 HydrophobicContact CG-CG 4.38Å; P281-W284 HydrophobicContact CG-CZ2 4.31Å; P281-W284 WeakPolarHBondContact O-CB 3.4Å; P281-W284 PolarHBondContact O-N 2.89Å
282	P	68.1	Low	72.2	Confident	121 Å²	121	68 Å²	68	79%	0.786	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-54.8	-23.4	178.5	-29.4	35.9	0	0	0	114.7	W284	P282-W284 PolarHBondContact O-N 3.29Å
283	S	76	Confident	71.8	Confident	90 Å²	90	71.4 Å²	71.4	63%	0.629	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-76.2	3.1	175.2	60.3	0	0	0	0	115.2	P281	P281-S283 PolarHBondContact O-N 3.24Å
284	W	81	Confident	71.6	Confident	44 Å²	44	70.9 Å²	70.9	17%	0.167	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-103.8	-15.1	175.4	-68.1	27	0	0	0	112.9	L260 K261 V264 L265 M278 I280 P281 P282	L260-W284 HydrophobicContact CD2-CZ3 4.28Å; L260-W284 HydrophobicContact CG-CZ3 4.2Å; K261-W284 HydrophobicContact CB-CD2 3.84Å; K261-W284 HydrophobicContact CB-CE3 3.76Å; K261-W284 HydrophobicContact CB-CG 4.5Å; K261-W284 HydrophobicContact CB-CH2 4.21Å; K261-W284 HydrophobicContact CB-CZ2 4.28Å; K261-W284 HydrophobicContact CB-CZ3 3.96Å; K261-W284 HydrophobicContact CD-CD2 4.12Å; K261-W284 HydrophobicContact CD-CG 4.26Å; K261-W284 HydrophobicContact CD-CZ2 4.36Å; K261-W284 HydrophobicContact CG-CB 4.5Å; K261-W284 HydrophobicContact CG-CD2 3.67Å; K261-W284 HydrophobicContact CG-CE3 4.11Å; K261-W284 HydrophobicContact CG-CG 3.85Å; V264-W284 CarbonylContact C-O 3.47Å; V264-W284 HydrophobicContact CB-CB 4.46Å; V264-W284 HydrophobicContact CG1-CB 3.97Å; V264-W284 VanDerWaalsContact CG1-O 3.26Å; V264-W284 WeakPolarHBondContact CG1-O 3.19Å; L265-W284 WeakPolarHBondContact CA-O 3.27Å; L265-W284 WeakPolarHBondContact CD2-O 3.44Å; L265-W284 VanDerWaalsContact CG-O 3.23Å; L265-W284 WeakPolarHBondContact CG-O 3.37Å; L265-W284 PolarHBondContact N-O 3.28Å; M278-W284 HydrophobicContact CE-CH2 3.77Å; M278-W284 HydrophobicContact CE-CZ3 4.09Å; M278-W284 HydrophobicContact SD-CH2 4.33Å; I280-W284 HydrophobicContact CG2-CB 4.02Å; P281-W284 HydrophobicContact CB-CG 4.47Å; P281-W284 HydrophobicContact CG-CD2 4.31Å; P281-W284 HydrophobicContact CG-CG 4.38Å; P281-W284 HydrophobicContact CG-CZ2 4.31Å; P281-W284 WeakPolarHBondContact O-CB 3.4Å; P281-W284 PolarHBondContact O-N 2.89Å; P282-W284 PolarHBondContact O-N 3.29Å
285	A	78	Confident	71.5	Confident	22 Å²	22	72.3 Å²	72.3	18%	0.182	41%	0.41	C	S	.	.	S	Bend	trans	-101.1	156.6	179.4	0	0	0	0	0	111.3	T289 I291	A285-T289 HydrophobicContact CB-CG2 4.3Å; A285-I291 HydrophobicContact CB-CD1 4.07Å
286	R	81.6	Confident	71.2	Confident	87 Å²	87	72 Å²	72	33%	0.328	40%	0.403	S	S	.	.			trans	-81.5	156.9	166.5	-63.6	177.1	-75.5	152	-3.4	109	L265 A267 D268 E288 T289	L265-R286 WeakPolarHBondContact O-CD 3.46Å; L265-R286 PolarHBondContact O-NE 2.92Å; A267-R286 PolarHBondContact O-NH2 3.1Å; D268-R286 IonicContact OD1-CZ 2.9Å; D268-R286 IonicContact OD1-NH1 3.96Å; D268-R286 PolarHBondContact OD1-NH1 2.76Å; D268-R286 IonicContact OD1-NH2 2.7Å; D268-R286 PolarHBondContact OD1-NH2 2.84Å; R286-E288 PolarHBondContact O-N 2.88Å; R286-T289 WeakPolarHBondContact CB-OG1 3.2Å; R286-T289 PolarHBondContact N-OG1 3.5Å; R286-T289 WeakPolarHBondContact O-CB 3.45Å; R286-T289 PolarHBondContact O-N 2.9Å
287	P	73.3	Confident	70.8	Confident	144 Å²	144	72.9 Å²	72.9	94%	0.935	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.2	177.7	-26.4	35.9	0	0	0	115.1
288	E	74.5	Confident	70.2	Confident	169 Å²	169	66.6 Å²	66.6	79%	0.79	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-0.3	179.6	-62	169.1	-178	0	0	113	R286 V290	R286-E288 PolarHBondContact O-N 2.88Å; E288-V290 PolarHBondContact O-N 2.78Å
289	T	77.7	Confident	68.9	Low	16 Å²	16	70.5 Å²	70.5	10%	0.098	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-79.1	118.9	-179	-65.4	0	0	0	0	110.7	A267 D268 V270 A285 R286 I291	A267-T289 PolarHBondContact O-OG1 3Å; D268-T289 WeakPolarHBondContact O-CA 3.31Å; V270-T289 HydrophobicContact CG2-CG2 3.84Å; A285-T289 HydrophobicContact CB-CG2 4.3Å; R286-T289 WeakPolarHBondContact CB-OG1 3.2Å; R286-T289 PolarHBondContact N-OG1 3.5Å; R286-T289 WeakPolarHBondContact O-CB 3.45Å; R286-T289 PolarHBondContact O-N 2.9Å; T289-I291 PolarHBondContact O-N 3.46Å
290	V	81.3	Confident	67.5	Low	44 Å²	44	69.2 Å²	69.2	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.6	177.8	-177.2	0	0	0	0	110.5	L214 D268 A269 V270 E288 I292	L214-V290 HydrophobicContact CD2-CG1 4.38Å; D268-V290 PolarHBondContact O-N 3.28Å; D268-V290 VanDerWaalsContact O-N 3.07Å; A269-V290 CarbonylContact C-O 3.6Å; A269-V290 WeakPolarHBondContact CA-O 3.49Å; A269-V290 HydrophobicContact CB-CB 4.23Å; V270-V290 PolarHBondContact N-O 3.12Å; E288-V290 PolarHBondContact O-N 2.78Å; V290-I292 HydrophobicContact CG1-CD1 4.14Å; V290-I292 HydrophobicContact CG1-CG1 3.9Å
291	I	80.6	Confident	65.6	Low	61 Å²	61	75.9 Å²	75.9	31%	0.313	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.8	173.8	-54.1	179	0	0	0	109.3	V270 L272 I280 A285 T289	V270-I291 WeakPolarHBondContact O-CA 3.4Å; L272-I291 HydrophobicContact CD1-CG2 4.28Å; I280-I291 HydrophobicContact CG2-CD1 4.29Å; A285-I291 HydrophobicContact CB-CD1 4.07Å; T289-I291 PolarHBondContact O-N 3.46Å
292	I	80.7	Confident	63.4	Low	16 Å²	16	80.6 Å²	80.6	8%	0.082	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.7	176.6	-50.3	-171.6	0	0	0	110.7	V210 L213 L214 V270 F271 L272 V290 C294 L313	V210-I292 HydrophobicContact CG1-CD1 4.36Å; V210-I292 HydrophobicContact CG2-CG2 4.26Å; L213-I292 HydrophobicContact CB-CD1 4.43Å; L214-I292 HydrophobicContact CD2-CD1 4.46Å; V270-I292 PolarHBondContact O-N 3.44Å; F271-I292 WeakPolarHBondContact CA-O 3.25Å; F271-I292 HydrophobicContact CD1-CB 3.81Å; F271-I292 HydrophobicContact CD1-CD1 4.33Å; F271-I292 HydrophobicContact CD1-CG1 4.07Å; F271-I292 HydrophobicContact CE1-CB 4.03Å; F271-I292 HydrophobicContact CE1-CD1 3.63Å; F271-I292 HydrophobicContact CE1-CG1 3.81Å; F271-I292 HydrophobicContact CZ-CD1 4.28Å; L272-I292 PolarHBondContact N-O 3.09Å; V290-I292 HydrophobicContact CG1-CD1 4.14Å; V290-I292 HydrophobicContact CG1-CG1 3.9Å; I292-C294 PolarHBondContact O-N 3.34Å; I292-L313 HydrophobicContact CG2-CD2 3.99Å
293	H	77.3	Confident	61.7	Low	79 Å²	79	83 Å²	83	37%	0.366	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	98.4	175	-69.4	-121.6	0	0	0	109.1	D279 E295 L313	D279-H293 IonicContact OD1-CE1 2.69Å; H293-E295 VanDerWaalsContact C-N 3.27Å; H293-E295 PolarHBondContact O-N 3.47Å; H293-L313 WeakPolarHBondContact O-CD2 3.3Å
294	C	73.3	Confident	59.6	Low	0 Å²	0	86 Å²	86	0%	0	46%	0.463	C	S	.	.			trans	-91.4	58.1	-176.2	-56.5	0	0	0	0	110.4	M206 L272 L273 I292 S296	M206-C294 HydrophobicContact CG-CB 4.48Å; M206-C294 HydrophobicContact SD-CB 4.03Å; L272-C294 CarbonylContact O-C 3.52Å; L272-C294 WeakPolarHBondContact O-CA 3.35Å; L272-C294 WeakPolarHBondContact O-CB 3.44Å; L272-C294 PolarHBondContact O-N 3.48Å; L273-C294 HydrophobicContact CD2-CB 3.78Å; I292-C294 PolarHBondContact O-N 3.34Å; C294-S296 PolarHBondContact O-N 2.63Å
295	E	66.1	Low	57.3	Low	75 Å²	75	89.7 Å²	89.7	35%	0.35	48%	0.484	S	S	.	.			trans	-71.7	113	-175.1	-71.5	-179.3	-179	0	0	112.1	H293 A297	H293-E295 VanDerWaalsContact C-N 3.27Å; H293-E295 PolarHBondContact O-N 3.47Å; E295-A297 PolarHBondContact O-N 2.85Å
296	S	49.6	Very low	55.2	Low	78 Å²	78	94 Å²	94	55%	0.545	51%	0.505	S	S	.	.			trans	-71.7	79	158.8	176.7	0	0	0	0	108.7	C294 L298	C294-S296 PolarHBondContact O-N 2.63Å; S296-L298 PolarHBondContact O-N 3.19Å
297	A	44.7	Very low	52.9	Low	43 Å²	43	97.9 Å²	97.9	36%	0.355	53%	0.529	S	S	.	.			trans	-46.2	95.9	-171.2	0	0	0	0	0	113.9	M114 H162 E295	M114-A297 HydrophobicContact CG-CB 4.02Å; M114-A297 HydrophobicContact SD-CB 4.35Å; H162-A297 PolarHBondContact CE1-O 3.22Å; E295-A297 PolarHBondContact O-N 2.85Å
298	L	39.2	Very low	51.2	Low	49 Å²	49	95.2 Å²	95.2	26%	0.257	51%	0.513	S	S	.	.			trans	-142.5	114.2	176.5	-72.3	170.7	0	0	0	106.8	L163 P165 S296	L163-L298 WeakPolarHBondContact O-CD1 3.23Å; L163-L298 WeakPolarHBondContact O-CD2 3.08Å; P165-L298 HydrophobicContact CG-CB 4.36Å; P165-L298 HydrophobicContact CG-CD1 3.77Å; S296-L298 PolarHBondContact O-N 3.19Å
299	E	31.2	Very low	49.7	Very low	161 Å²	161	91.1 Å²	91.1	75%	0.752	50%	0.503	S	S	*	.			trans	75.4	111.2	-171.8	-47.6	-152.4	139.8	0	0	115.6
300	P	35.6	Very low	48.3	Very low	95 Å²	95	93.6 Å²	93.6	62%	0.617	52%	0.515	S	S	*	.			trans	-103	100.6	161.9	34.1	-22.8	0	0	0	110.1
301	D	31.7	Very low	47.3	Very low	155 Å²	155	94 Å²	94	83%	0.829	52%	0.52	S	S	*	.			trans	-127	74.6	169.1	-105.7	-10.3	0	0	0	108.7
302	D	30.3	Very low	46.7	Very low	144 Å²	144	91.9 Å²	91.9	77%	0.77	51%	0.513	S	S	*	.			trans	178.3	139.3	142	-102.9	-29.4	0	0	0	111.6	L304	D302-L304 PolarHBondContact O-N 2.96Å
303	D	31.6	Very low	46.6	Very low	171 Å²	171	92.1 Å²	92.1	91%	0.914	52%	0.515	S	S	*	.	S	Bend	trans	-76.9	20.1	-175.8	-99.8	-37.5	0	0	0	114.2
304	L	32.3	Very low	46.7	Very low	153 Å²	153	89.1 Å²	89.1	80%	0.801	50%	0.504	S	S	*	.			trans	-138.9	45.4	-159.5	-73.2	175.1	0	0	0	116.2	D302	D302-L304 PolarHBondContact O-N 2.96Å
305	I	33.4	Very low	47.2	Very low	121 Å²	121	92.3 Å²	92.3	62%	0.621	52%	0.516	S	S	*	.	S	Bend	trans	-125	143.7	169.4	-59.8	176.5	0	0	0	111.3	M307 I310	I305-M307 PolarHBondContact O-N 3.17Å; I305-I310 HydrophobicContact CG2-CD1 3.71Å
306	D	34.4	Very low	48.1	Very low	113 Å²	113	88.8 Å²	88.8	60%	0.604	50%	0.5	S	S	*	.			trans	-66.1	113.1	-175.1	-169.3	-30.8	0	0	0	112.4	S308	D306-S308 VanDerWaalsContact CG-OG 3.26Å; D306-S308 PolarHBondContact O-N 2.91Å; D306-S308 VanDerWaalsContact O-N 3.13Å; D306-S308 WeakPolarHBondContact OD1-CB 3.44Å; D306-S308 PolarHBondContact OD1-N 2.81Å; D306-S308 PolarHBondContact OD1-OG 3.09Å
307	M	31.3	Very low	50	Low	169 Å²	169	85.3 Å²	85.3	83%	0.833	48%	0.475	S	S	*	.	H	α-helix	trans	-66.8	-6.3	-178.6	-80.6	-99.9	-78	0	0	115.2	I305	I305-M307 PolarHBondContact O-N 3.17Å
308	S	38.4	Very low	52.1	Low	88 Å²	88	83.3 Å²	83.3	62%	0.615	46%	0.459	S	S	*	.	H	α-helix	trans	-74.2	-36.4	-173.4	60.7	0	0	0	0	114.7	D306	D306-S308 VanDerWaalsContact CG-OG 3.26Å; D306-S308 PolarHBondContact O-N 2.91Å; D306-S308 VanDerWaalsContact O-N 3.13Å; D306-S308 WeakPolarHBondContact OD1-CB 3.44Å; D306-S308 PolarHBondContact OD1-N 2.81Å; D306-S308 PolarHBondContact OD1-OG 3.09Å
309	S	43.3	Very low	54.6	Low	83 Å²	83	81 Å²	81	58%	0.58	45%	0.447	S	S	*	.	H	α-helix	trans	-94.1	-45.8	-173.4	60.4	0	0	0	0	113.6	S311 G312	S309-S311 PolarHBondContact O-N 3.28Å; S309-G312 PolarHBondContact O-N 3.41Å
310	I	48.6	Very low	57.6	Low	68 Å²	68	74.7 Å²	74.7	35%	0.349	42%	0.416	S	S	.	.	H	α-helix	trans	-58.8	-33.6	-174.6	-62.8	173.4	0	0	0	111.9	I305 G312 A314	I305-I310 HydrophobicContact CG2-CD1 3.71Å; I310-G312 PolarHBondContact O-N 3.12Å; I310-A314 PolarHBondContact O-N 3.15Å
311	S	58.9	Low	60.4	Low	51 Å²	51	70.5 Å²	70.5	36%	0.357	39%	0.388	S	S	.	.	H	α-helix	trans	-50	-53.5	176.4	179	0	0	0	0	112.9	S309 A314 Y315	S309-S311 PolarHBondContact O-N 3.28Å; S311-A314 PolarHBondContact O-N 2.78Å; S311-Y315 VanDerWaalsContact O-CD2 3.22Å; S311-Y315 WeakPolarHBondContact O-CD2 3.44Å; S311-Y315 PolarHBondContact O-N 2.77Å; S311-Y315 VanDerWaalsContact O-N 3.14Å
312	G	68.8	Low	63.4	Low	18 Å²	18	63.2 Å²	63.2	19%	0.186	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-49.6	-170.1	0	0	0	0	0	113.4	C74 S309 I310 A314 Y315 L316	C74-G312 VanDerWaalsContact SG-C 3.51Å; C74-G312 WeakPolarHBondContact SG-CA 3.21Å; S309-G312 PolarHBondContact O-N 3.41Å; I310-G312 PolarHBondContact O-N 3.12Å; G312-A314 VanDerWaalsContact C-N 3.31Å; G312-A314 PolarHBondContact O-N 3.05Å; G312-Y315 PolarHBondContact O-N 3.1Å; G312-L316 PolarHBondContact O-N 3.27Å
313	L	78.6	Confident	66.4	Low	20 Å²	20	58.2 Å²	58.2	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-37.2	-179.2	-177.7	63.7	0	0	0	111.9	M206 A209 V210 L213 I292 H293 L316 T317	M206-L313 HydrophobicContact CE-CD1 4.21Å; M206-L313 HydrophobicContact CE-CD2 3.78Å; M206-L313 HydrophobicContact CE-CG 3.75Å; A209-L313 HydrophobicContact CB-CD1 3.75Å; V210-L313 HydrophobicContact CG2-CD1 4.13Å; L213-L313 HydrophobicContact CD1-CD1 3.86Å; I292-L313 HydrophobicContact CG2-CD2 3.99Å; H293-L313 WeakPolarHBondContact O-CD2 3.3Å; L313-L316 PolarHBondContact O-N 3.22Å; L313-T317 VanDerWaalsContact O-CB 3.24Å; L313-T317 WeakPolarHBondContact O-CB 3.42Å; L313-T317 PolarHBondContact O-N 3.41Å; L313-T317 PolarHBondContact O-OG1 2.93Å
314	A	78.9	Confident	69.4	Low	17 Å²	17	50.5 Å²	50.5	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-42.2	177	0	0	0	0	0	112.2	I117 I310 S311 G312 A318	I117-A314 HydrophobicContact CD1-CB 3.82Å; I310-A314 PolarHBondContact O-N 3.15Å; S311-A314 PolarHBondContact O-N 2.78Å; G312-A314 VanDerWaalsContact C-N 3.31Å; G312-A314 PolarHBondContact O-N 3.05Å; A314-A318 PolarHBondContact O-N 2.91Å
315	Y	83.9	Confident	72.4	Confident	67 Å²	67	43.2 Å²	43.2	26%	0.263	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-48.4	172.7	-83.2	-70.6	0	0	0	111.9	I117 K120 V121 S311 G312 T317 A318 V319	I117-Y315 HydrophobicContact CG1-CE1 4.49Å; I117-Y315 HydrophobicContact CG2-CD1 3.81Å; I117-Y315 HydrophobicContact CG2-CE1 4Å; I117-Y315 HydrophobicContact CG2-CG 4.21Å; K120-Y315 HydrophobicContact CB-CE1 4.33Å; V121-Y315 HydrophobicContact CG2-CD1 3.76Å; V121-Y315 HydrophobicContact CG2-CE1 4.4Å; S311-Y315 VanDerWaalsContact O-CD2 3.22Å; S311-Y315 WeakPolarHBondContact O-CD2 3.44Å; S311-Y315 PolarHBondContact O-N 2.77Å; S311-Y315 VanDerWaalsContact O-N 3.14Å; G312-Y315 PolarHBondContact O-N 3.1Å; Y315-T317 VanDerWaalsContact C-N 3.31Å; Y315-T317 PolarHBondContact O-N 3Å; Y315-A318 PolarHBondContact O-N 3.33Å; Y315-V319 WeakPolarHBondContact O-CG2 3.47Å; Y315-V319 PolarHBondContact O-N 3.05Å
316	L	85.1	Confident	75.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-39.2	-179.8	-171.7	59.4	0	0	0	111.9	V78 A209 L213 G312 L313 V319 Y320	V78-L316 HydrophobicContact CG2-CB 4.03Å; V78-L316 HydrophobicContact CG2-CD1 4.06Å; A209-L316 HydrophobicContact CB-CB 4.1Å; A209-L316 HydrophobicContact CB-CD2 3.9Å; A209-L316 HydrophobicContact CB-CG 3.73Å; L213-L316 HydrophobicContact CD2-CD2 4.35Å; L213-L316 HydrophobicContact CG-CD2 4.11Å; G312-L316 PolarHBondContact O-N 3.27Å; L313-L316 PolarHBondContact O-N 3.22Å; L316-V319 PolarHBondContact O-N 3.44Å; L316-Y320 HydrophobicContact CD1-CD2 4.13Å; L316-Y320 HydrophobicContact CD1-CE2 3.73Å; L316-Y320 HydrophobicContact CD2-CE2 4.42Å; L316-Y320 HydrophobicContact CG-CD2 4.04Å; L316-Y320 HydrophobicContact CG-CE2 3.84Å; L316-Y320 WeakPolarHBondContact O-CD2 3.38Å; L316-Y320 PolarHBondContact O-N 3.42Å
317	T	89.1	Confident	78	Confident	5 Å²	5	36 Å²	36	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-43.5	173.7	-61.1	0	0	0	0	112	P205 M206 L313 Y315 V319 Y320 R321	P205-T317 HydrophobicContact CB-CG2 4.02Å; P205-T317 VanDerWaalsContact CB-O 3.26Å; P205-T317 WeakPolarHBondContact CB-O 3.21Å; M206-T317 HydrophobicContact CB-CG2 4.33Å; M206-T317 HydrophobicContact CE-CG2 4.23Å; M206-T317 VanDerWaalsContact CE-OG1 3.27Å; M206-T317 WeakPolarHBondContact CE-OG1 3.35Å; L313-T317 VanDerWaalsContact O-CB 3.24Å; L313-T317 WeakPolarHBondContact O-CB 3.42Å; L313-T317 PolarHBondContact O-N 3.41Å; L313-T317 PolarHBondContact O-OG1 2.93Å; Y315-T317 VanDerWaalsContact C-N 3.31Å; Y315-T317 PolarHBondContact O-N 3Å; T317-V319 VanDerWaalsContact C-N 3.31Å; T317-V319 PolarHBondContact O-N 3.27Å; T317-Y320 PolarHBondContact O-N 3.26Å; T317-R321 PolarHBondContact O-N 2.9Å
318	A	89.8	Confident	80.8	Confident	2 Å²	2	28.2 Å²	28.2	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-31.8	175.4	0	0	0	0	0	112.6	I117 V121 A314 Y315 R321 A322	I117-A318 HydrophobicContact CG2-CB 3.85Å; V121-A318 HydrophobicContact CB-CB 4.28Å; V121-A318 HydrophobicContact CG1-CB 4.48Å; V121-A318 HydrophobicContact CG2-CB 3.95Å; A314-A318 PolarHBondContact O-N 2.91Å; Y315-A318 PolarHBondContact O-N 3.33Å; A318-R321 PolarHBondContact O-N 2.8Å; A318-A322 PolarHBondContact O-N 3.36Å
319	V	91.3	Very high	83.4	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.5	-47	173.9	173.7	0	0	0	0	111.2	V78 V81 V82 V121 I125 Y315 L316 T317 R321 A322 Q323	V78-V319 HydrophobicContact CG1-CG2 4.33Å; V81-V319 HydrophobicContact CB-CG1 3.61Å; V81-V319 HydrophobicContact CG1-CG1 3.53Å; V82-V319 HydrophobicContact CG2-CG1 4.04Å; V82-V319 HydrophobicContact CG2-CG2 3.7Å; V121-V319 HydrophobicContact CB-CG2 4.42Å; V121-V319 HydrophobicContact CG1-CB 4.3Å; V121-V319 HydrophobicContact CG1-CG2 3.59Å; V121-V319 HydrophobicContact CG2-CG2 3.91Å; I125-V319 HydrophobicContact CD1-CG1 4.31Å; Y315-V319 WeakPolarHBondContact O-CG2 3.47Å; Y315-V319 PolarHBondContact O-N 3.05Å; L316-V319 PolarHBondContact O-N 3.44Å; T317-V319 VanDerWaalsContact C-N 3.31Å; T317-V319 PolarHBondContact O-N 3.27Å; V319-R321 VanDerWaalsContact C-N 3.26Å; V319-R321 PolarHBondContact O-N 2.97Å; V319-A322 WeakPolarHBondContact O-CB 3.19Å; V319-A322 PolarHBondContact O-N 3.04Å; V319-A322 VanDerWaalsContact O-N 3.14Å; V319-Q323 PolarHBondContact O-N 2.92Å
320	Y	94	Very high	85.6	Confident	29 Å²	29	21.5 Å²	21.5	11%	0.114	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-30.8	174	-80.7	-65.8	0	0	0	112.9	V81 A209 D212 L316 T317 Q323 N324	V81-Y320 HydrophobicContact CG1-CD1 4.11Å; V81-Y320 HydrophobicContact CG1-CE1 3.89Å; V81-Y320 HydrophobicContact CG2-CE1 4.24Å; V81-Y320 HydrophobicContact CG2-CE2 4.44Å; A209-Y320 HydrophobicContact CB-CD2 4.02Å; A209-Y320 HydrophobicContact CB-CE2 4.37Å; D212-Y320 HydrophobicContact CB-CE2 4.28Å; D212-Y320 WeakPolarHBondContact CB-OH 3.39Å; L316-Y320 HydrophobicContact CD1-CD2 4.13Å; L316-Y320 HydrophobicContact CD1-CE2 3.73Å; L316-Y320 HydrophobicContact CD2-CE2 4.42Å; L316-Y320 HydrophobicContact CG-CD2 4.04Å; L316-Y320 HydrophobicContact CG-CE2 3.84Å; L316-Y320 WeakPolarHBondContact O-CD2 3.38Å; L316-Y320 PolarHBondContact O-N 3.42Å; T317-Y320 PolarHBondContact O-N 3.26Å; Y320-Q323 PolarHBondContact O-N 3.12Å; Y320-N324 PolarHBondContact O-N 2.88Å
321	R	94.6	Very high	87.4	Confident	6 Å²	6	21.5 Å²	21.5	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-46.7	170.6	-174	-178.9	-68.1	109.9	6.2	111.5	L103 N118 V182 D183 P205 T317 A318 V319 Q323 N324 V325	L103-R321 HydrophobicContact CD2-CG 4.19Å; N118-R321 PolarHBondContact ND2-NH1 3.29Å; N118-R321 PolarHBondContact OD1-NH1 3.48Å; V182-R321 HydrophobicContact CG2-CG 4.1Å; D183-R321 IonicContact OD1-CZ 3.92Å; D183-R321 IonicContact OD1-NE 3.63Å; D183-R321 PolarHBondContact OD1-NE 2.75Å; D183-R321 IonicContact OD1-NH2 3.25Å; D183-R321 IonicContact OD2-CZ 3.56Å; D183-R321 IonicContact OD2-NE 3.49Å; D183-R321 PolarHBondContact OD2-NE 3.03Å; D183-R321 IonicContact OD2-NH2 2.72Å; D183-R321 PolarHBondContact OD2-NH2 2.88Å; P205-R321 HydrophobicContact CB-CB 4.12Å; P205-R321 HydrophobicContact CG-CB 3.82Å; P205-R321 HydrophobicContact CG-CG 4.41Å; T317-R321 PolarHBondContact O-N 2.9Å; A318-R321 PolarHBondContact O-N 2.8Å; V319-R321 VanDerWaalsContact C-N 3.26Å; V319-R321 PolarHBondContact O-N 2.97Å; R321-Q323 VanDerWaalsContact C-N 3.26Å; R321-Q323 PolarHBondContact O-N 3.41Å; R321-N324 PolarHBondContact O-N 3.1Å; R321-V325 VanDerWaalsContact O-CG2 3.32Å; R321-V325 WeakPolarHBondContact O-CG2 3.43Å; R321-V325 PolarHBondContact O-N 2.85Å
322	A	93.8	Very high	88.7	Confident	2 Å²	2	21.9 Å²	21.9	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-36.2	174.8	0	0	0	0	0	112.3	V121 I125 L127 A318 V319 V325 T326	V121-A322 HydrophobicContact CG1-CB 4.28Å; I125-A322 HydrophobicContact CD1-CB 3.62Å; L127-A322 HydrophobicContact CD2-CB 3.54Å; A318-A322 PolarHBondContact O-N 3.36Å; V319-A322 WeakPolarHBondContact O-CB 3.19Å; V319-A322 PolarHBondContact O-N 3.04Å; V319-A322 VanDerWaalsContact O-N 3.14Å; A322-V325 PolarHBondContact O-N 2.89Å; A322-T326 WeakPolarHBondContact O-CB 3.45Å; A322-T326 PolarHBondContact O-N 2.87Å; A322-T326 PolarHBondContact O-OG1 3.03Å
323	Q	93.9	Very high	89.5	Confident	39 Å²	39	22.2 Å²	22.2	18%	0.182	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-44.4	173.1	-161.8	-173.2	59.9	0	0	111.6	T85 V319 Y320 R321 V325 T326 H327	T85-Q323 HydrophobicContact CG2-CB 4.38Å; V319-Q323 PolarHBondContact O-N 2.92Å; Y320-Q323 PolarHBondContact O-N 3.12Å; R321-Q323 VanDerWaalsContact C-N 3.26Å; R321-Q323 PolarHBondContact O-N 3.41Å; Q323-V325 PolarHBondContact O-N 3.31Å; Q323-T326 CarbonylContact O-C 3.56Å; Q323-T326 WeakPolarHBondContact O-CB 3.08Å; Q323-T326 PolarHBondContact O-N 3.11Å; Q323-T326 VanDerWaalsContact O-N 3.15Å; Q323-H327 VanDerWaalsContact O-CG 3.32Å; Q323-H327 PolarHBondContact O-N 3.01Å; Q323-H327 PolarHBondContact O-ND1 3.08Å
324	N	95.1	Very high	89.6	Confident	10 Å²	10	26.2 Å²	26.2	5%	0.053	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-41	173.9	-81	-14.5	0	0	0	112.6	V182 F202 V203 Y320 R321 T326 H327 G328	V182-N324 HydrophobicContact CB-CB 3.92Å; V182-N324 HydrophobicContact CG1-CB 4.2Å; V182-N324 PolarHBondContact O-ND2 2.81Å; F202-N324 HydrophobicContact CD1-CB 3.86Å; F202-N324 HydrophobicContact CE1-CB 4.32Å; F202-N324 VanDerWaalsContact CE1-O 3.27Å; F202-N324 WeakPolarHBondContact CE1-O 3.34Å; V203-N324 PolarHBondContact O-ND2 2.83Å; Y320-N324 PolarHBondContact O-N 2.88Å; R321-N324 PolarHBondContact O-N 3.1Å; N324-T326 VanDerWaalsContact C-N 3.3Å; N324-T326 PolarHBondContact O-N 2.91Å; N324-H327 PolarHBondContact O-N 2.67Å; N324-G328 PolarHBondContact O-N 3.32Å
325	V	95.3	Very high	89.6	Confident	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-39.3	173.6	179.2	0	0	0	0	111.2	P101 L103 L127 H157 V182 R321 A322 Q323 G328 C329	P101-V325 HydrophobicContact CB-CG1 4.41Å; L103-V325 HydrophobicContact CB-CG2 4Å; L103-V325 HydrophobicContact CD1-CG2 3.9Å; L103-V325 HydrophobicContact CG-CG2 4.39Å; L127-V325 HydrophobicContact CD1-CB 4.35Å; L127-V325 HydrophobicContact CD1-CG1 3.71Å; H157-V325 HydrophobicContact CB-CG1 4.01Å; V182-V325 HydrophobicContact CB-CG2 4.23Å; V182-V325 HydrophobicContact CG1-CG2 3.84Å; V182-V325 HydrophobicContact CG2-CG2 4.09Å; R321-V325 VanDerWaalsContact O-CG2 3.32Å; R321-V325 WeakPolarHBondContact O-CG2 3.43Å; R321-V325 PolarHBondContact O-N 2.85Å; A322-V325 PolarHBondContact O-N 2.89Å; Q323-V325 PolarHBondContact O-N 3.31Å; V325-G328 PolarHBondContact O-N 2.62Å; V325-C329 WeakPolarHBondContact O-CB 3.29Å; V325-C329 PolarHBondContact O-N 2.76Å
326	T	93.3	Very high	89.2	Confident	2 Å²	2	27 Å²	27	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-41.2	176.4	-56.2	0	0	0	0	111.7	T85 A88 I89 L92 A322 Q323 N324 C329 S330	T85-T326 HydrophobicContact CG2-CG2 4.46Å; T85-T326 WeakPolarHBondContact CG2-OG1 3.26Å; A88-T326 HydrophobicContact CB-CG2 3.75Å; I89-T326 HydrophobicContact CG1-CG2 3.63Å; L92-T326 HydrophobicContact CD1-CG2 4.14Å; A322-T326 WeakPolarHBondContact O-CB 3.45Å; A322-T326 PolarHBondContact O-N 2.87Å; A322-T326 PolarHBondContact O-OG1 3.03Å; Q323-T326 CarbonylContact O-C 3.56Å; Q323-T326 WeakPolarHBondContact O-CB 3.08Å; Q323-T326 PolarHBondContact O-N 3.11Å; Q323-T326 VanDerWaalsContact O-N 3.15Å; N324-T326 VanDerWaalsContact C-N 3.3Å; N324-T326 PolarHBondContact O-N 2.91Å; T326-C329 PolarHBondContact O-N 3.27Å; T326-S330 WeakPolarHBondContact O-CB 3.5Å; T326-S330 PolarHBondContact O-N 3.07Å
327	H	91.4	Very high	88.6	Confident	81 Å²	81	32.5 Å²	32.5	38%	0.375	15%	0.152	S	C	.	.	H	α-helix	trans	-65.1	-39.7	172.6	-67.1	155.2	0	0	0	112.3	F202 Q323 N324 S330 R331	F202-H327 HydrophobicContact CE1-CB 4.44Å; Q323-H327 VanDerWaalsContact O-CG 3.32Å; Q323-H327 PolarHBondContact O-N 3.01Å; Q323-H327 PolarHBondContact O-ND1 3.08Å; N324-H327 PolarHBondContact O-N 2.67Å; H327-S330 PolarHBondContact O-N 3.38Å; H327-R331 WeakPolarHBondContact O-CB 3.3Å; H327-R331 WeakPolarHBondContact O-CG 3.4Å; H327-R331 PolarHBondContact O-N 3.09Å
328	G	91.4	Very high	87.9	Confident	5 Å²	5	36.4 Å²	36.4	5%	0.052	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-48.4	173.7	0	0	0	0	0	111.9	N324 V325 S330 R331 W332	N324-G328 PolarHBondContact O-N 3.32Å; V325-G328 PolarHBondContact O-N 2.62Å; G328-S330 PolarHBondContact O-N 3.48Å; G328-R331 PolarHBondContact O-N 3.08Å; G328-W332 WeakPolarHBondContact O-CB 3.18Å; G328-W332 PolarHBondContact O-N 2.88Å
329	C	91.6	Very high	87.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-42.8	173.9	-173.6	0	0	0	0	112.8	L92 I99 P101 H157 V325 T326 W332 L333	L92-C329 HydrophobicContact CD1-CB 4.07Å; I99-C329 VanDerWaalsContact CG1-SG 3.58Å; P101-C329 HydrophobicContact CB-CB 4.13Å; P101-C329 HydrophobicContact CG-CB 4.18Å; H157-C329 HydrophobicContact CB-CB 4.15Å; H157-C329 VanDerWaalsContact CD2-CB 3.5Å; H157-C329 WeakPolarHBondContact CD2-CB 3.47Å; H157-C329 PolarHBondContact CD2-SG 3.14Å; H157-C329 PolarHBondContact NE2-SG 3.43Å; H157-C329 VanDerWaalsContact NE2-SG 3.37Å; V325-C329 WeakPolarHBondContact O-CB 3.29Å; V325-C329 PolarHBondContact O-N 2.76Å; T326-C329 PolarHBondContact O-N 3.27Å; C329-W332 PolarHBondContact O-N 2.54Å; C329-L333 WeakPolarHBondContact O-CB 3.46Å; C329-L333 WeakPolarHBondContact O-CG 3.47Å; C329-L333 PolarHBondContact O-N 3.23Å
330	S	89.7	Confident	86.7	Confident	30 Å²	30	46.2 Å²	46.2	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-43.4	175.8	-171.7	0	0	0	0	112.7	T326 H327 G328 Q334	T326-S330 WeakPolarHBondContact O-CB 3.5Å; T326-S330 PolarHBondContact O-N 3.07Å; H327-S330 PolarHBondContact O-N 3.38Å; G328-S330 PolarHBondContact O-N 3.48Å; S330-Q334 WeakPolarHBondContact O-CG 3.16Å; S330-Q334 PolarHBondContact O-N 3.08Å; S330-Q334 VanDerWaalsContact O-N 3.07Å; S330-Q334 PolarHBondContact O-NE2 3.15Å; S330-Q334 PolarHBondContact OG-NE2 2.71Å; S330-Q334 VanDerWaalsContact OG-NE2 3.14Å
331	R	87.6	Confident	86.6	Confident	68 Å²	68	46.2 Å²	46.2	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-48.7	174.5	-76.3	171.1	170.4	158.5	-3.9	111.3	M198 S199 G201 H327 G328 L333 Q334 E335	M198-R331 PolarHBondContact O-NH2 2.88Å; S199-R331 PolarHBondContact O-NE 3.39Å; S199-R331 PolarHBondContact O-NH2 3.01Å; G201-R331 VanDerWaalsContact O-CZ 3.29Å; G201-R331 PolarHBondContact O-NH1 2.72Å; G201-R331 PolarHBondContact O-NH2 3.13Å; H327-R331 WeakPolarHBondContact O-CB 3.3Å; H327-R331 WeakPolarHBondContact O-CG 3.4Å; H327-R331 PolarHBondContact O-N 3.09Å; G328-R331 PolarHBondContact O-N 3.08Å; R331-L333 PolarHBondContact O-N 2.73Å; R331-Q334 WeakPolarHBondContact O-CB 3.39Å; R331-Q334 PolarHBondContact O-N 3.48Å; R331-Q334 VanDerWaalsContact O-N 3.15Å; R331-E335 PolarHBondContact O-N 3.34Å
332	W	86.5	Confident	86.1	Confident	59 Å²	59	53 Å²	53	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-49	179	-179.5	84.8	0	0	0	111.1	I99 P154 G328 C329 Q334 E335 Q336	I99-W332 HydrophobicContact CD1-CE3 4.46Å; I99-W332 HydrophobicContact CD1-CZ3 3.89Å; P154-W332 HydrophobicContact CB-CZ2 4.04Å; G328-W332 WeakPolarHBondContact O-CB 3.18Å; G328-W332 PolarHBondContact O-N 2.88Å; C329-W332 PolarHBondContact O-N 2.54Å; W332-Q334 VanDerWaalsContact C-N 3.34Å; W332-Q334 PolarHBondContact O-N 2.8Å; W332-E335 CarbonylContact O-C 3.6Å; W332-E335 PolarHBondContact O-N 3.36Å; W332-E335 VanDerWaalsContact O-N 3.11Å; W332-Q336 HydrophobicContact CD2-CG 3.95Å; W332-Q336 HydrophobicContact CE3-CG 4.01Å; W332-Q336 HydrophobicContact CH2-CG 3.87Å; W332-Q336 HydrophobicContact CZ2-CG 3.8Å; W332-Q336 HydrophobicContact CZ3-CG 3.97Å; W332-Q336 VanDerWaalsContact O-CG 3.25Å; W332-Q336 WeakPolarHBondContact O-CG 3.26Å; W332-Q336 PolarHBondContact O-N 2.75Å; W332-Q336 PolarHBondContact O-NE2 3.29Å
333	L	84.3	Confident	86	Confident	25 Å²	25	53.7 Å²	53.7	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-42.1	175.2	-79.4	172.9	0	0	0	112.7	L92 I99 C329 R331 E335 Q336 Q337	L92-L333 HydrophobicContact CB-CD1 4.3Å; L92-L333 HydrophobicContact CD2-CD1 4.08Å; I99-L333 HydrophobicContact CB-CD1 4.45Å; I99-L333 HydrophobicContact CD1-CD2 4.15Å; I99-L333 HydrophobicContact CG1-CD1 4.07Å; I99-L333 HydrophobicContact CG1-CD2 4.26Å; I99-L333 HydrophobicContact CG1-CG 4.37Å; I99-L333 HydrophobicContact CG2-CD1 4.17Å; C329-L333 WeakPolarHBondContact O-CB 3.46Å; C329-L333 WeakPolarHBondContact O-CG 3.47Å; C329-L333 PolarHBondContact O-N 3.23Å; R331-L333 PolarHBondContact O-N 2.73Å; L333-E335 VanDerWaalsContact C-N 3.32Å; L333-E335 PolarHBondContact O-N 2.87Å; L333-Q336 PolarHBondContact O-N 3.15Å; L333-Q336 VanDerWaalsContact O-N 3.15Å; L333-Q337 PolarHBondContact O-N 3.14Å
334	Q	81.4	Confident	85.9	Confident	104 Å²	104	58.6 Å²	58.6	49%	0.486	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-35.6	176	-72	167.1	35.2	0	0	112.1	S330 R331 W332 Q336 Q337	S330-Q334 WeakPolarHBondContact O-CG 3.16Å; S330-Q334 PolarHBondContact O-N 3.08Å; S330-Q334 VanDerWaalsContact O-N 3.07Å; S330-Q334 PolarHBondContact O-NE2 3.15Å; S330-Q334 PolarHBondContact OG-NE2 2.71Å; S330-Q334 VanDerWaalsContact OG-NE2 3.14Å; R331-Q334 WeakPolarHBondContact O-CB 3.39Å; R331-Q334 PolarHBondContact O-N 3.48Å; R331-Q334 VanDerWaalsContact O-N 3.15Å; W332-Q334 VanDerWaalsContact C-N 3.34Å; W332-Q334 PolarHBondContact O-N 2.8Å; Q334-Q336 VanDerWaalsContact C-N 3.28Å; Q334-Q336 PolarHBondContact O-N 2.74Å; Q334-Q337 PolarHBondContact O-N 2.63Å
335	E	79.2	Confident	85.8	Confident	75 Å²	75	59.7 Å²	59.7	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-73	-17.8	173.8	-68.9	-171.1	138.8	0	0	113.4	K200 R331 W332 L333	K200-E335 IonicContact NZ-OE1 3.59Å; K200-E335 PolarHBondContact NZ-OE1 2.86Å; R331-E335 PolarHBondContact O-N 3.34Å; W332-E335 CarbonylContact O-C 3.6Å; W332-E335 PolarHBondContact O-N 3.36Å; W332-E335 VanDerWaalsContact O-N 3.11Å; L333-E335 VanDerWaalsContact C-N 3.32Å; L333-E335 PolarHBondContact O-N 2.87Å
336	Q	75.1	Confident	85.8	Confident	24 Å²	24	60.7 Å²	60.7	11%	0.112	29%	0.288	C	S	.	.	H	α-helix	trans	-85.6	-12.4	172.3	-53.7	-30.3	-72.8	0	0	113.6	W332 L333 Q334	W332-Q336 HydrophobicContact CD2-CG 3.95Å; W332-Q336 HydrophobicContact CE3-CG 4.01Å; W332-Q336 HydrophobicContact CH2-CG 3.87Å; W332-Q336 HydrophobicContact CZ2-CG 3.8Å; W332-Q336 HydrophobicContact CZ3-CG 3.97Å; W332-Q336 VanDerWaalsContact O-CG 3.25Å; W332-Q336 WeakPolarHBondContact O-CG 3.26Å; W332-Q336 PolarHBondContact O-N 2.75Å; W332-Q336 PolarHBondContact O-NE2 3.29Å; L333-Q336 PolarHBondContact O-N 3.15Å; L333-Q336 VanDerWaalsContact O-N 3.15Å; Q334-Q336 VanDerWaalsContact C-N 3.28Å; Q334-Q336 PolarHBondContact O-N 2.74Å
337	Q	73.4	Confident	85.8	Confident	117 Å²	117	69.5 Å²	69.5	55%	0.547	33%	0.326	S	S	.	.	S	Bend	trans	-73.7	150.7	-179.6	-73.9	-175.7	-13.1	0	0	112	L333 Q334 R339	L333-Q337 PolarHBondContact O-N 3.14Å; Q334-Q337 PolarHBondContact O-N 2.63Å; Q337-R339 PolarHBondContact O-N 3.3Å
338	Y	72.9	Confident	85.9	Confident	87 Å²	87	67.1 Å²	67.1	34%	0.341	32%	0.316	S	S	.	.			trans	-54.1	124.8	173.6	169.1	-104.2	0	0	0	110.6	N442 V697 D700	Y338-N442 VanDerWaalsContact CE2-ND2 3.3Å; Y338-N442 WeakPolarHBondContact CE2-ND2 3.32Å; Y338-V697 WeakPolarHBondContact CE2-O 3.31Å; Y338-D700 HydrophobicContact CE1-CB 4.41Å
339	R	76.7	Confident	85.8	Confident	111 Å²	111	74.7 Å²	74.7	42%	0.419	35%	0.35	S	S	.	.			trans	-136.6	144.4	174.2	64.1	-170.2	-174.1	-161.8	1.3	109.3	Q337 W341 N442	Q337-R339 PolarHBondContact O-N 3.3Å; R339-W341 PolarHBondContact O-N 3.43Å; R339-N442 PolarHBondContact O-ND2 3.01Å
340	P	80.7	Confident	86	Confident	96 Å²	96	77.6 Å²	77.6	62%	0.623	37%	0.368	S	S	*	.			trans	-53.5	127.4	164.2	-24.1	34.5	0	0	0	109.6	N442	P340-N442 WeakPolarHBondContact CA-OD1 3.47Å
341	W	90.4	Very high	86.3	Confident	30 Å²	30	81 Å²	81	11%	0.114	38%	0.384	C	S	.	.			trans	-67.2	135	-179.2	-65.4	-21.8	0	0	0	110.5	R339 L343 E375 I376 N442 S443 F444 P669 L696 V697	R339-W341 PolarHBondContact O-N 3.43Å; W341-L343 HydrophobicContact CB-CB 4.24Å; W341-L343 PolarHBondContact O-N 3.17Å; W341-E375 WeakPolarHBondContact CB-O 3.49Å; W341-I376 HydrophobicContact CD2-CB 4Å; W341-I376 HydrophobicContact CD2-CG2 3.9Å; W341-I376 HydrophobicContact CE3-CB 4.3Å; W341-I376 HydrophobicContact CE3-CG2 3.75Å; W341-I376 HydrophobicContact CH2-CB 4.15Å; W341-I376 HydrophobicContact CH2-CG2 4.09Å; W341-I376 HydrophobicContact CZ2-CB 3.86Å; W341-I376 HydrophobicContact CZ2-CG2 4.26Å; W341-I376 HydrophobicContact CZ3-CB 4.37Å; W341-I376 HydrophobicContact CZ3-CG2 3.84Å; W341-I376 PolarHBondContact NE1-O 3.42Å; W341-N442 VanDerWaalsContact CD1-ND2 3.27Å; W341-N442 HydrophobicContact CD2-CB 3.84Å; W341-N442 HydrophobicContact CE3-CB 4.02Å; W341-N442 HydrophobicContact CG-CB 4.35Å; W341-N442 HydrophobicContact CH2-CB 4.4Å; W341-N442 HydrophobicContact CZ2-CB 4.22Å; W341-N442 HydrophobicContact CZ3-CB 4.3Å; W341-N442 PolarHBondContact N-OD1 3.49Å; W341-N442 PolarHBondContact NE1-ND2 3.06Å; W341-S443 WeakPolarHBondContact CZ3-O 3.46Å; W341-F444 AromaticContact CH2-CD2 3.82Å; W341-F444 HydrophobicContact CH2-CD2 3.82Å; W341-F444 HydrophobicContact CH2-CE2 4.23Å; W341-P669 HydrophobicContact CH2-CG 3.97Å; W341-P669 HydrophobicContact CZ3-CG 3.64Å; W341-L696 HydrophobicContact CZ2-CB 4.24Å; W341-L696 WeakPolarHBondContact CZ2-O 3.47Å; W341-V697 HydrophobicContact CH2-CG1 3.66Å; W341-V697 HydrophobicContact CZ2-CG1 4Å
342	N	85.6	Confident	86.4	Confident	148 Å²	148	85.4 Å²	85.4	79%	0.791	41%	0.412	S	S	*	.			trans	-80.6	49.8	171	-166.8	18.4	0	0	0	110.7	R344	N342-R344 PolarHBondContact O-N 2.84Å
343	L	90.4	Very high	86.8	Confident	17 Å²	17	87.9 Å²	87.9	9%	0.089	44%	0.436	C	S	.	.			trans	-71.6	110.2	-172.2	-170.7	82.9	0	0	0	110.2	W341 S345 L372 E375 I376 S436	W341-L343 HydrophobicContact CB-CB 4.24Å; W341-L343 PolarHBondContact O-N 3.17Å; L343-S345 PolarHBondContact O-N 2.98Å; L343-L372 HydrophobicContact CD1-CD1 3.99Å; L343-E375 WeakPolarHBondContact CA-OE2 3.43Å; L343-E375 HydrophobicContact CD1-CB 4.05Å; L343-E375 WeakPolarHBondContact CD1-OE2 3.25Å; L343-I376 HydrophobicContact CD1-CG2 3.91Å; L343-S436 WeakPolarHBondContact CD2-OG 3.23Å
344	R	92.5	Very high	87.3	Confident	142 Å²	142	88.1 Å²	88.1	54%	0.536	44%	0.438	S	S	.	.			trans	-73.8	94.9	178.3	-176.8	177.2	65.1	119.1	-4	109.1	N342 C346 K367 Q371 E375	N342-R344 PolarHBondContact O-N 2.84Å; R344-C346 PolarHBondContact O-N 3.35Å; R344-K367 WeakPolarHBondContact O-CE 3.36Å; R344-K367 PolarHBondContact O-NZ 3.39Å; R344-Q371 VanDerWaalsContact NH2-CD 3.33Å; R344-E375 WeakPolarHBondContact CB-OE1 2.99Å; R344-E375 PolarHBondContact N-OE2 3.36Å; R344-E375 IonicContact NE-OE1 3.42Å
345	S	92.5	Very high	87.9	Confident	33 Å²	33	84.9 Å²	84.9	23%	0.231	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-57.7	127.7	178.2	-49.3	0	0	0	0	110.8	L343 K347 K440 E666	L343-S345 PolarHBondContact O-N 2.98Å; S345-K347 PolarHBondContact O-N 3.34Å; S345-K440 PolarHBondContact OG-NZ 2.83Å; S345-E666 CarbonylContact C-O 3.56Å; S345-E666 WeakPolarHBondContact CA-O 3.42Å
346	C	95	Very high	88.6	Confident	21 Å²	21	84.6 Å²	84.6	14%	0.142	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-67.5	129.9	172	-63.1	0	0	0	0	108.1	R344 L665 E666	R344-C346 PolarHBondContact O-N 3.35Å; C346-L665 WeakPolarHBondContact CB-O 3.38Å; C346-E666 PolarHBondContact N-O 3.4Å
347	K	93.1	Very high	89.5	Confident	186 Å²	186	85 Å²	85	81%	0.809	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-67.9	138.9	-179.4	-69.5	-172.6	179.2	-178.3	0	109.7	S345 Q364	S345-K347 PolarHBondContact O-N 3.34Å; K347-Q364 PolarHBondContact O-NE2 3.36Å
348	L	93.1	Very high	90.4	Very high	32 Å²	32	80.6 Å²	80.6	17%	0.168	41%	0.413	C	S	.	.			trans	-113.1	140.9	176.5	-157.7	77.3	0	0	0	109.5	P350 Y467 L665 E666	L348-P350 HydrophobicContact CD2-CG 4.02Å; L348-P350 HydrophobicContact CG-CG 4.36Å; L348-Y467 HydrophobicContact CD1-CD1 4.06Å; L348-Y467 HydrophobicContact CD2-CD1 4.09Å; L348-Y467 HydrophobicContact CD2-CG 4.35Å; L348-Y467 HydrophobicContact CG-CD1 4.12Å; L348-L665 HydrophobicContact CD1-CB 3.84Å; L348-L665 HydrophobicContact CD1-CD1 4.43Å; L348-E666 HydrophobicContact CB-CG 4.01Å; L348-E666 HydrophobicContact CD1-CG 4.28Å; L348-E666 HydrophobicContact CD2-CG 4.24Å; L348-E666 HydrophobicContact CG-CG 4.43Å
349	Q	90.8	Very high	91.4	Very high	163 Å²	163	81.6 Å²	81.6	76%	0.762	42%	0.421	S	S	*	.			trans	-127.8	87	172.6	-66.7	-173.7	-2.2	0	0	109.2	L351	Q349-L351 PolarHBondContact O-N 3.3Å
350	P	94.3	Very high	92.3	Very high	61 Å²	61	76.6 Å²	76.6	40%	0.396	40%	0.402	S	S	.	.			trans	-62.8	129.5	178.5	-23.8	35.1	0	0	0	112.4	L348 Y467 S828	L348-P350 HydrophobicContact CD2-CG 4.02Å; L348-P350 HydrophobicContact CG-CG 4.36Å; P350-Y467 HydrophobicContact CB-CD2 3.99Å; P350-Y467 HydrophobicContact CB-CE2 3.89Å; P350-Y467 HydrophobicContact CB-CG 4.43Å; P350-S828 WeakPolarHBondContact CB-O 3.44Å
351	L	96.1	Very high	92.9	Very high	103 Å²	103	72.3 Å²	72.3	54%	0.539	38%	0.375	S	S	.	.			trans	-96.1	156.4	175	-57.9	178.9	0	0	0	110.9	Q349 P353 P355 Y467	Q349-L351 PolarHBondContact O-N 3.3Å; L351-P353 CarbonylContact C-O 3.49Å; L351-P353 CarbonylContact O-C 3.44Å; L351-P355 HydrophobicContact CB-CG 4.4Å; L351-P355 HydrophobicContact CD1-CG 4.05Å; L351-Y467 PolarHBondContact N-OH 3.19Å
352	N	91.6	Very high	93.1	Very high	159 Å²	159	75.2 Å²	75.2	85%	0.85	39%	0.386	S	S	*	.	S	Bend	trans	-137.1	115.3	174.8	-173.9	15	0	0	0	109
353	P	93.2	Very high	93.5	Very high	111 Å²	111	72.1 Å²	72.1	72%	0.721	38%	0.381	S	S	*	.	S	Bend	cis	-60.6	152.2	1.2	28	-36.3	0	0	0	113.2	L351	L351-P353 CarbonylContact C-O 3.49Å; L351-P353 CarbonylContact O-C 3.44Å
354	V	95	Very high	93.7	Very high	30 Å²	30	73.1 Å²	73.1	18%	0.182	39%	0.385	C	S	.	.			trans	-69.1	128.6	174.1	179.2	0	0	0	0	108.1	I360 Y467 W827	V354-I360 HydrophobicContact CG1-CD1 3.77Å; V354-Y467 HydrophobicContact CB-CE2 4.48Å; V354-Y467 HydrophobicContact CG1-CD2 4.07Å; V354-Y467 HydrophobicContact CG1-CE2 3.84Å; V354-Y467 HydrophobicContact CG2-CE2 4.3Å; V354-W827 HydrophobicContact CB-CH2 3.61Å; V354-W827 HydrophobicContact CB-CZ2 4.23Å; V354-W827 HydrophobicContact CB-CZ3 3.87Å; V354-W827 HydrophobicContact CG1-CH2 3.73Å; V354-W827 HydrophobicContact CG1-CZ2 3.84Å; V354-W827 HydrophobicContact CG1-CZ3 4.11Å; V354-W827 HydrophobicContact CG2-CE3 4.36Å; V354-W827 HydrophobicContact CG2-CH2 4.05Å; V354-W827 HydrophobicContact CG2-CZ3 3.75Å
355	P	95.4	Very high	93.8	Very high	36 Å²	36	72 Å²	72	23%	0.234	39%	0.394	C	S	.	.			trans	-67.7	179.9	176	-17.4	30.4	0	0	0	112.6	L351 E359 I360 Y467	L351-P355 HydrophobicContact CB-CG 4.4Å; L351-P355 HydrophobicContact CD1-CG 4.05Å; P355-E359 HydrophobicContact CB-CB 3.94Å; P355-I360 HydrophobicContact CB-CG1 4.05Å; P355-I360 HydrophobicContact CG-CG1 4.16Å; P355-Y467 WeakPolarHBondContact CD-OH 3.49Å
356	T	93.1	Very high	93.9	Very high	69 Å²	69	71.5 Å²	71.5	42%	0.423	39%	0.39	S	S	.	.			trans	-66.8	155.2	170.5	65.8	0	0	0	0	111.7	I358 E359 I360	T356-I358 PolarHBondContact O-N 2.82Å; T356-E359 VanDerWaalsContact CB-OE2 3.29Å; T356-E359 WeakPolarHBondContact CB-OE2 3.21Å; T356-E359 WeakPolarHBondContact CG2-OE2 3.41Å; T356-E359 PolarHBondContact N-OE2 2.95Å; T356-E359 PolarHBondContact O-N 3.41Å; T356-E359 VanDerWaalsContact O-N 3.17Å; T356-E359 VanDerWaalsContact OG1-CD 3.24Å; T356-E359 VanDerWaalsContact OG1-CG 3.25Å; T356-E359 WeakPolarHBondContact OG1-CG 3.44Å; T356-E359 PolarHBondContact OG1-N 2.56Å; T356-E359 PolarHBondContact OG1-OE2 2.97Å; T356-I360 WeakPolarHBondContact O-CG1 3.5Å; T356-I360 PolarHBondContact O-N 3.03Å
357	D	93.3	Very high	94	Very high	34 Å²	34	70.7 Å²	70.7	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-57.5	-36.9	-177.7	-69	3.1	0	0	0	112.2	I360 S361 A462 G465 G466 Q469 M473	D357-I360 PolarHBondContact O-N 2.9Å; D357-S361 PolarHBondContact O-N 3.14Å; D357-A462 HydrophobicContact CB-CB 4.36Å; D357-A462 WeakPolarHBondContact OD2-CB 3.3Å; D357-G465 VanDerWaalsContact OD2-CA 3.29Å; D357-G465 WeakPolarHBondContact OD2-CA 3.14Å; D357-G466 VanDerWaalsContact CG-N 3.29Å; D357-G466 WeakPolarHBondContact OD1-CA 3.42Å; D357-G466 PolarHBondContact OD1-N 3.34Å; D357-Q469 PolarHBondContact O-NE2 3.44Å; D357-M473 HydrophobicContact CB-CE 3.92Å; D357-M473 HydrophobicContact CB-SD 4.21Å
358	I	92	Very high	94.2	Very high	24 Å²	24	63.3 Å²	63.3	12%	0.123	36%	0.355	C	S	.	.	H	α-helix	trans	-72.8	-38.8	177.7	-174.4	57	0	0	0	113.1	T356 I360 S361 R362 E474 F974	T356-I358 PolarHBondContact O-N 2.82Å; I358-I360 VanDerWaalsContact C-N 3.29Å; I358-I360 PolarHBondContact O-N 3.25Å; I358-S361 PolarHBondContact O-N 3.43Å; I358-S361 VanDerWaalsContact O-N 3.16Å; I358-R362 HydrophobicContact CD1-CG 4.17Å; I358-R362 PolarHBondContact O-N 2.87Å; I358-E474 HydrophobicContact CD1-CG 4.05Å; I358-F974 HydrophobicContact CB-CB 4.03Å; I358-F974 HydrophobicContact CB-CD2 4.03Å; I358-F974 HydrophobicContact CB-CG 4.46Å; I358-F974 HydrophobicContact CD1-CD2 3.8Å; I358-F974 HydrophobicContact CD1-CE2 4.13Å; I358-F974 HydrophobicContact CG1-CD2 3.99Å; I358-F974 HydrophobicContact CG2-CB 4.19Å
359	E	93.9	Very high	94.4	Very high	107 Å²	107	62 Å²	62	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-41.7	172.7	-72.4	165.7	126.6	0	0	110.8	P355 T356 R362 A363	P355-E359 HydrophobicContact CB-CB 3.94Å; T356-E359 VanDerWaalsContact CB-OE2 3.29Å; T356-E359 WeakPolarHBondContact CB-OE2 3.21Å; T356-E359 WeakPolarHBondContact CG2-OE2 3.41Å; T356-E359 PolarHBondContact N-OE2 2.95Å; T356-E359 PolarHBondContact O-N 3.41Å; T356-E359 VanDerWaalsContact O-N 3.17Å; T356-E359 VanDerWaalsContact OG1-CD 3.24Å; T356-E359 VanDerWaalsContact OG1-CG 3.25Å; T356-E359 WeakPolarHBondContact OG1-CG 3.44Å; T356-E359 PolarHBondContact OG1-N 2.56Å; T356-E359 PolarHBondContact OG1-OE2 2.97Å; E359-R362 PolarHBondContact O-N 3.1Å; E359-A363 WeakPolarHBondContact O-CB 3.19Å; E359-A363 PolarHBondContact O-N 3.44Å
360	I	95.8	Very high	94.6	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-39.9	175.3	-61.6	167.1	0	0	0	111.1	V354 P355 T356 D357 I358 Y467 L665	V354-I360 HydrophobicContact CG1-CD1 3.77Å; P355-I360 HydrophobicContact CB-CG1 4.05Å; P355-I360 HydrophobicContact CG-CG1 4.16Å; T356-I360 WeakPolarHBondContact O-CG1 3.5Å; T356-I360 PolarHBondContact O-N 3.03Å; D357-I360 PolarHBondContact O-N 2.9Å; I358-I360 VanDerWaalsContact C-N 3.29Å; I358-I360 PolarHBondContact O-N 3.25Å; I360-Y467 HydrophobicContact CB-CE1 4.46Å; I360-Y467 HydrophobicContact CD1-CD1 4.37Å; I360-Y467 HydrophobicContact CD1-CD2 4.28Å; I360-Y467 HydrophobicContact CD1-CE1 4.12Å; I360-Y467 HydrophobicContact CD1-CE2 4.04Å; I360-Y467 HydrophobicContact CD1-CG 4.44Å; I360-Y467 HydrophobicContact CG1-CE1 4.02Å; I360-Y467 HydrophobicContact CG2-CD1 3.65Å; I360-Y467 HydrophobicContact CG2-CE1 3.62Å; I360-L665 HydrophobicContact CG2-CD1 3.64Å; I360-L665 HydrophobicContact CG2-CD2 4.01Å
361	S	94.2	Very high	94.7	Very high	7 Å²	7	56.8 Å²	56.8	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-37.2	176.6	-178	0	0	0	0	112.9	D357 I358 M473	D357-S361 PolarHBondContact O-N 3.14Å; I358-S361 PolarHBondContact O-N 3.43Å; I358-S361 VanDerWaalsContact O-N 3.16Å; S361-M473 PolarHBondContact OG-N 3.24Å
362	R	93.3	Very high	94.8	Very high	90 Å²	90	51.9 Å²	51.9	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-78.3	-34	178.6	-71.7	-170.2	-176.9	151.2	10.9	112.5	I358 E359 Q364 E474 E969 I970	I358-R362 HydrophobicContact CD1-CG 4.17Å; I358-R362 PolarHBondContact O-N 2.87Å; E359-R362 PolarHBondContact O-N 3.1Å; R362-Q364 PolarHBondContact O-N 3.12Å; R362-E474 IonicContact CZ-OE1 2.77Å; R362-E474 IonicContact NE-OE1 3.2Å; R362-E474 IonicContact NE-OE2 2.77Å; R362-E474 IonicContact NH2-OE1 3.46Å; R362-E474 PolarHBondContact NH2-OE1 3Å; R362-E969 IonicContact CZ-OE2 3.59Å; R362-E969 VanDerWaalsContact CZ-OE2 3.32Å; R362-E969 IonicContact NE-OE2 3.67Å; R362-E969 IonicContact NH1-OE2 2.63Å; R362-E969 PolarHBondContact NH1-OE2 3.07Å; R362-I970 PolarHBondContact NH2-O 3.04Å
363	A	94.8	Very high	95	Very high	84 Å²	84	44.5 Å²	44.5	69%	0.694	27%	0.265	S	S	*	.	H	α-helix	trans	-66	-19.4	178	0	0	0	0	0	114	E359	E359-A363 WeakPolarHBondContact O-CB 3.19Å; E359-A363 PolarHBondContact O-N 3.44Å
364	Q	94.9	Very high	95	Very high	38 Å²	38	46.2 Å²	46.2	18%	0.178	26%	0.263	C	S	.	.	S	Bend	trans	-105	117	-177.3	-172.3	70.4	-32.6	0	0	112.6	K347 R362 P366 I471 L665	K347-Q364 PolarHBondContact O-NE2 3.36Å; R362-Q364 PolarHBondContact O-N 3.12Å; Q364-P366 VanDerWaalsContact O-CD 3.3Å; Q364-P366 WeakPolarHBondContact O-CD 3.45Å; Q364-I471 HydrophobicContact CB-CD1 4.25Å; Q364-I471 HydrophobicContact CG-CD1 3.92Å; Q364-L665 HydrophobicContact CB-CD2 3.57Å; Q364-L665 HydrophobicContact CG-CD2 3.84Å; Q364-L665 PolarHBondContact NE2-O 2.72Å
365	T	94.6	Very high	95	Very high	118 Å²	118	46 Å²	46	72%	0.724	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-73.8	118.1	173.5	-49.9	0	0	0	0	111
366	P	95.1	Very high	94.9	Very high	23 Å²	23	44.4 Å²	44.4	15%	0.149	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-69.2	155.1	174.2	28.9	-34.9	0	0	0	112	Q364 N389 I471 P472 Q663	Q364-P366 VanDerWaalsContact O-CD 3.3Å; Q364-P366 WeakPolarHBondContact O-CD 3.45Å; P366-N389 HydrophobicContact CG-CB 4.44Å; P366-I471 HydrophobicContact CB-CD1 3.96Å; P366-I471 HydrophobicContact CB-CG1 4.43Å; P366-P472 HydrophobicContact CG-CG 4.35Å; P366-Q663 HydrophobicContact CB-CG 4.33Å
367	K	95.9	Very high	94.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.017	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-61.7	148.6	164.2	-59.6	172	-173.6	176.5	0	109.7	R344 V369 L372 E375 Q663 G667	R344-K367 WeakPolarHBondContact O-CE 3.36Å; R344-K367 PolarHBondContact O-NZ 3.39Å; K367-V369 PolarHBondContact O-N 2.75Å; K367-L372 HydrophobicContact CD-CB 4.38Å; K367-L372 HydrophobicContact CD-CD1 4.16Å; K367-E375 IonicContact NZ-OE2 2.64Å; K367-E375 PolarHBondContact NZ-OE2 3.2Å; K367-Q663 VanDerWaalsContact CB-OE1 3.31Å; K367-Q663 PolarHBondContact O-NE2 3.48Å; K367-G667 PolarHBondContact NZ-O 3.3Å
368	P	97.4	Very high	94.8	Very high	31 Å²	31	41 Å²	41	20%	0.201	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-53.6	134.9	159.1	-17.8	30	0	0	0	109.8	A370 Q371 L372 R388	P368-A370 PolarHBondContact O-N 3.02Å; P368-Q371 HydrophobicContact CB-CB 4.32Å; P368-Q371 HydrophobicContact CG-CB 4.44Å; P368-Q371 WeakPolarHBondContact O-CB 3.34Å; P368-Q371 PolarHBondContact O-N 3.39Å; P368-L372 PolarHBondContact O-N 3.09Å; P368-L372 VanDerWaalsContact O-N 3.07Å; P368-R388 WeakPolarHBondContact CA-O 3.48Å; P368-R388 HydrophobicContact CB-CG 4.49Å
369	V	97.3	Very high	94.6	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-30.7	-177.7	68.8	0	0	0	0	112.5	K367 L372 A373 R388 A391 L661	K367-V369 PolarHBondContact O-N 2.75Å; V369-L372 PolarHBondContact O-N 3.34Å; V369-A373 VanDerWaalsContact O-CB 3.28Å; V369-A373 WeakPolarHBondContact O-CB 3.47Å; V369-A373 PolarHBondContact O-N 3.4Å; V369-R388 PolarHBondContact N-O 2.83Å; V369-A391 HydrophobicContact CB-CB 4.5Å; V369-A391 HydrophobicContact CG1-CB 3.97Å; V369-A391 HydrophobicContact CG2-CB 3.72Å; V369-L661 HydrophobicContact CG2-CB 4.42Å; V369-L661 HydrophobicContact CG2-CD2 3.93Å; V369-L661 HydrophobicContact CG2-CG 4.08Å
370	A	96.3	Very high	94.3	Very high	61 Å²	61	40.9 Å²	40.9	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-38.2	172.2	0	0	0	0	0	113.1	P368 A373 E374 L383	P368-A370 PolarHBondContact O-N 3.02Å; A370-A373 PolarHBondContact O-N 2.92Å; A370-E374 PolarHBondContact O-N 2.77Å; A370-L383 HydrophobicContact CB-CD2 4.25Å
371	Q	96.6	Very high	93.8	Very high	54 Å²	54	42.4 Å²	42.4	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-67.6	-42.1	173.1	168.8	169.9	13.3	0	0	110.9	R344 P368 A373 E374 E375	R344-Q371 VanDerWaalsContact NH2-CD 3.33Å; P368-Q371 HydrophobicContact CB-CB 4.32Å; P368-Q371 HydrophobicContact CG-CB 4.44Å; P368-Q371 WeakPolarHBondContact O-CB 3.34Å; P368-Q371 PolarHBondContact O-N 3.39Å; Q371-A373 VanDerWaalsContact C-N 3.29Å; Q371-A373 PolarHBondContact O-N 2.86Å; Q371-E374 PolarHBondContact O-N 3.07Å; Q371-E375 HydrophobicContact CG-CG 4.35Å; Q371-E375 VanDerWaalsContact CG-OE1 3.29Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.33Å; Q371-E375 PolarHBondContact NE2-OE1 2.98Å; Q371-E375 WeakPolarHBondContact O-CB 3.5Å; Q371-E375 WeakPolarHBondContact O-CG 3.22Å; Q371-E375 PolarHBondContact O-N 3.29Å
372	L	97.1	Very high	93.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-41.5	176.2	179.6	68.6	0	0	0	111.2	L343 K367 P368 V369 E375 I376 L661 M662 Q663 P669	L343-L372 HydrophobicContact CD1-CD1 3.99Å; K367-L372 HydrophobicContact CD-CB 4.38Å; K367-L372 HydrophobicContact CD-CD1 4.16Å; P368-L372 PolarHBondContact O-N 3.09Å; P368-L372 VanDerWaalsContact O-N 3.07Å; V369-L372 PolarHBondContact O-N 3.34Å; L372-E375 PolarHBondContact O-N 2.88Å; L372-I376 WeakPolarHBondContact O-CG1 3.11Å; L372-I376 WeakPolarHBondContact O-CG2 2.89Å; L372-I376 PolarHBondContact O-N 2.82Å; L372-L661 HydrophobicContact CD2-CD1 3.98Å; L372-L661 HydrophobicContact CD2-CD2 4.22Å; L372-L661 HydrophobicContact CD2-CG 4Å; L372-M662 WeakPolarHBondContact CD2-O 3.4Å; L372-Q663 HydrophobicContact CD2-CB 3.88Å; L372-P669 HydrophobicContact CD1-CB 4.28Å; L372-P669 HydrophobicContact CD2-CB 4.5Å
373	A	96.2	Very high	93.9	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-47.1	177.2	0	0	0	0	0	112.3	V369 A370 Q371 I376 G377 L378 L383 L661	V369-A373 VanDerWaalsContact O-CB 3.28Å; V369-A373 WeakPolarHBondContact O-CB 3.47Å; V369-A373 PolarHBondContact O-N 3.4Å; A370-A373 PolarHBondContact O-N 2.92Å; Q371-A373 VanDerWaalsContact C-N 3.29Å; Q371-A373 PolarHBondContact O-N 2.86Å; A373-I376 WeakPolarHBondContact O-CG1 3.19Å; A373-I376 PolarHBondContact O-N 2.93Å; A373-G377 PolarHBondContact O-N 3.32Å; A373-G377 VanDerWaalsContact O-N 3.15Å; A373-L378 HydrophobicContact CB-CB 3.88Å; A373-L378 HydrophobicContact CB-CD1 3.79Å; A373-L378 HydrophobicContact CB-CG 4.37Å; A373-L378 WeakPolarHBondContact O-CB 3.3Å; A373-L378 PolarHBondContact O-N 2.65Å; A373-L383 HydrophobicContact CB-CD1 3.9Å; A373-L383 HydrophobicContact CB-CD2 3.69Å; A373-L383 HydrophobicContact CB-CG 4.37Å; A373-L661 HydrophobicContact CB-CD2 4.41Å
374	E	93.1	Very high	94	Very high	146 Å²	146	38 Å²	38	68%	0.682	22%	0.218	S	C	*	.	H	α-helix	trans	-60	-46.9	174.2	-175.6	-174.7	-174.9	0	0	111.8	A370 Q371 I376 G377	A370-E374 PolarHBondContact O-N 2.77Å; Q371-E374 PolarHBondContact O-N 3.07Å; E374-I376 PolarHBondContact O-N 3.47Å; E374-I376 VanDerWaalsContact O-N 3.16Å; E374-G377 PolarHBondContact O-N 3.41Å
375	E	94.1	Very high	94	Very high	26 Å²	26	39.5 Å²	39.5	12%	0.121	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-25.6	-179.5	-76.7	178.5	-159.4	0	0	113.2	W341 L343 R344 K367 Q371 L372	W341-E375 WeakPolarHBondContact CB-O 3.49Å; L343-E375 WeakPolarHBondContact CA-OE2 3.43Å; L343-E375 HydrophobicContact CD1-CB 4.05Å; L343-E375 WeakPolarHBondContact CD1-OE2 3.25Å; R344-E375 WeakPolarHBondContact CB-OE1 2.99Å; R344-E375 PolarHBondContact N-OE2 3.36Å; R344-E375 IonicContact NE-OE1 3.42Å; K367-E375 IonicContact NZ-OE2 2.64Å; K367-E375 PolarHBondContact NZ-OE2 3.2Å; Q371-E375 HydrophobicContact CG-CG 4.35Å; Q371-E375 VanDerWaalsContact CG-OE1 3.29Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.33Å; Q371-E375 PolarHBondContact NE2-OE1 2.98Å; Q371-E375 WeakPolarHBondContact O-CB 3.5Å; Q371-E375 WeakPolarHBondContact O-CG 3.22Å; Q371-E375 PolarHBondContact O-N 3.29Å; L372-E375 PolarHBondContact O-N 2.88Å
376	I	94	Very high	94.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-105	0.4	-179.6	72.7	-177.2	0	0	0	114.8	W341 L343 L372 A373 E374 L378 F444 L661 P669	W341-I376 HydrophobicContact CD2-CB 4Å; W341-I376 HydrophobicContact CD2-CG2 3.9Å; W341-I376 HydrophobicContact CE3-CB 4.3Å; W341-I376 HydrophobicContact CE3-CG2 3.75Å; W341-I376 HydrophobicContact CH2-CB 4.15Å; W341-I376 HydrophobicContact CH2-CG2 4.09Å; W341-I376 HydrophobicContact CZ2-CB 3.86Å; W341-I376 HydrophobicContact CZ2-CG2 4.26Å; W341-I376 HydrophobicContact CZ3-CB 4.37Å; W341-I376 HydrophobicContact CZ3-CG2 3.84Å; W341-I376 PolarHBondContact NE1-O 3.42Å; L343-I376 HydrophobicContact CD1-CG2 3.91Å; L372-I376 WeakPolarHBondContact O-CG1 3.11Å; L372-I376 WeakPolarHBondContact O-CG2 2.89Å; L372-I376 PolarHBondContact O-N 2.82Å; A373-I376 WeakPolarHBondContact O-CG1 3.19Å; A373-I376 PolarHBondContact O-N 2.93Å; E374-I376 PolarHBondContact O-N 3.47Å; E374-I376 VanDerWaalsContact O-N 3.16Å; I376-L378 HydrophobicContact CD1-CD1 4.07Å; I376-L378 HydrophobicContact CD1-CG 4.27Å; I376-L378 HydrophobicContact CG1-CD1 4.38Å; I376-L378 HydrophobicContact CG1-CG 4.13Å; I376-F444 HydrophobicContact CD1-CE2 3.96Å; I376-F444 HydrophobicContact CD1-CZ 4Å; I376-L661 HydrophobicContact CD1-CD1 4.3Å; I376-L661 HydrophobicContact CD1-CD2 4.27Å; I376-P669 HydrophobicContact CD1-CB 4.05Å; I376-P669 HydrophobicContact CG2-CB 4.34Å; I376-P669 HydrophobicContact CG2-CG 4.02Å
377	G	91.1	Very high	94.1	Very high	21 Å²	21	39.4 Å²	39.4	22%	0.216	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	27	176.8	0	0	0	0	0	116	A373 E374 R400	A373-G377 PolarHBondContact O-N 3.32Å; A373-G377 VanDerWaalsContact O-N 3.15Å; E374-G377 PolarHBondContact O-N 3.41Å; G377-R400 PolarHBondContact O-NH2 2.58Å
378	L	92.4	Very high	94.1	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	27%	0.269	C	S	.	.			trans	-76.4	143	160.8	-69.6	176.9	0	0	0	110.2	A373 I376 L383 V393 L397 L661 L696	A373-L378 HydrophobicContact CB-CB 3.88Å; A373-L378 HydrophobicContact CB-CD1 3.79Å; A373-L378 HydrophobicContact CB-CG 4.37Å; A373-L378 WeakPolarHBondContact O-CB 3.3Å; A373-L378 PolarHBondContact O-N 2.65Å; I376-L378 HydrophobicContact CD1-CD1 4.07Å; I376-L378 HydrophobicContact CD1-CG 4.27Å; I376-L378 HydrophobicContact CG1-CD1 4.38Å; I376-L378 HydrophobicContact CG1-CG 4.13Å; L378-L383 HydrophobicContact CD1-CD1 4.11Å; L378-V393 HydrophobicContact CD1-CG1 4.44Å; L378-V393 HydrophobicContact CD1-CG2 3.76Å; L378-V393 HydrophobicContact CD2-CG1 3.81Å; L378-L397 HydrophobicContact CD2-CD1 3.2Å; L378-L661 HydrophobicContact CD1-CD2 3.75Å; L378-L696 HydrophobicContact CD2-CD1 3.94Å; L378-L696 HydrophobicContact CD2-CD2 4.05Å; L378-L696 HydrophobicContact CG-CD2 4.44Å
379	L	88.6	Confident	94	Very high	31 Å²	31	47.4 Å²	47.4	16%	0.162	27%	0.267	C	S	.	.			trans	-82.1	151.1	170	-55.5	-179	0	0	0	110.3	E381 E382	L379-E381 VanDerWaalsContact C-N 3.26Å; L379-E381 HydrophobicContact CB-CG 3.92Å; L379-E381 HydrophobicContact CD1-CG 4.46Å; L379-E381 PolarHBondContact O-N 3.34Å; L379-E382 HydrophobicContact CB-CG 4.1Å; L379-E382 PolarHBondContact N-OE2 3.18Å; L379-E382 WeakPolarHBondContact O-CB 3.29Å; L379-E382 PolarHBondContact O-N 2.76Å
380	P	87.3	Confident	94	Very high	99 Å²	99	48.3 Å²	48.3	64%	0.643	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-53.9	-42.7	176.4	-26.6	34.8	0	0	0	113.2	E382 L383	P380-E382 PolarHBondContact O-N 2.91Å; P380-L383 PolarHBondContact O-N 2.95Å; P380-L383 VanDerWaalsContact O-N 3.11Å
381	E	85.8	Confident	94.1	Very high	37 Å²	37	45.4 Å²	45.4	17%	0.173	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-64.7	-13.1	176.6	50.5	-95	-138.3	0	0	114.8	D152 K177 L379 Q394	D152-E381 HydrophobicContact CB-CB 3.94Å; K177-E381 IonicContact NZ-OE1 2.75Å; K177-E381 PolarHBondContact NZ-OE1 2.64Å; K177-E381 IonicContact NZ-OE2 3.57Å; K177-E381 PolarHBondContact NZ-OE2 3.42Å; L379-E381 VanDerWaalsContact C-N 3.26Å; L379-E381 HydrophobicContact CB-CG 3.92Å; L379-E381 HydrophobicContact CD1-CG 4.46Å; L379-E381 PolarHBondContact O-N 3.34Å; E381-Q394 PolarHBondContact O-NE2 3.28Å
382	E	93.4	Very high	94.2	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.028	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-91.2	-5.5	174.3	-64.5	174.4	141.5	0	0	113.1	L379 P380 V393 Q394 L397 R400	L379-E382 HydrophobicContact CB-CG 4.1Å; L379-E382 PolarHBondContact N-OE2 3.18Å; L379-E382 WeakPolarHBondContact O-CB 3.29Å; L379-E382 PolarHBondContact O-N 2.76Å; P380-E382 PolarHBondContact O-N 2.91Å; E382-V393 WeakPolarHBondContact O-CA 3.49Å; E382-Q394 PolarHBondContact O-N 3.18Å; E382-L397 VanDerWaalsContact OE1-CA 3.26Å; E382-L397 WeakPolarHBondContact OE1-CA 3.28Å; E382-L397 VanDerWaalsContact OE1-CB 3.31Å; E382-L397 WeakPolarHBondContact OE1-CB 3.45Å; E382-R400 VanDerWaalsContact CD-NH2 3.32Å; E382-R400 IonicContact OE1-CZ 3.84Å; E382-R400 IonicContact OE1-NE 2.91Å; E382-R400 PolarHBondContact OE1-NE 3.4Å; E382-R400 IonicContact OE1-NH2 2.83Å; E382-R400 PolarHBondContact OE1-NH2 3.11Å; E382-R400 VanDerWaalsContact OE1-NH2 3.12Å; E382-R400 IonicContact OE2-CZ 2.75Å; E382-R400 IonicContact OE2-NE 2.65Å; E382-R400 IonicContact OE2-NH2 3.73Å; E382-R400 PolarHBondContact OE2-NH2 3.34Å
383	L	95.4	Very high	94.3	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.168	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.5	-167.3	-166.1	77.2	0	0	0	112.7	A370 A373 L378 P380 A391 V393 L661	A370-L383 HydrophobicContact CB-CD2 4.25Å; A373-L383 HydrophobicContact CB-CD1 3.9Å; A373-L383 HydrophobicContact CB-CD2 3.69Å; A373-L383 HydrophobicContact CB-CG 4.37Å; L378-L383 HydrophobicContact CD1-CD1 4.11Å; P380-L383 PolarHBondContact O-N 2.95Å; P380-L383 VanDerWaalsContact O-N 3.11Å; L383-A391 HydrophobicContact CD1-CB 3.47Å; L383-A391 VanDerWaalsContact CD1-CB 3.47Å; L383-A391 HydrophobicContact CG-CB 3.81Å; L383-V393 HydrophobicContact CD1-CG2 4.19Å; L383-L661 HydrophobicContact CD1-CD2 4.27Å
384	E	96.8	Very high	94.3	Very high	51 Å²	51	45.6 Å²	45.6	24%	0.238	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	100.1	176.6	-71.7	167.5	-161.7	0	0	109.5	Y386 A391 K392 Q394 K658	E384-Y386 WeakPolarHBondContact O-CD2 3.33Å; E384-A391 CarbonylContact O-C 3.58Å; E384-A391 WeakPolarHBondContact O-CA 3.38Å; E384-A391 VanDerWaalsContact O-CB 3.32Å; E384-A391 WeakPolarHBondContact O-CB 3.37Å; E384-K392 HydrophobicContact CB-CB 4Å; E384-K392 PolarHBondContact N-O 3.29Å; E384-K392 PolarHBondContact O-N 2.95Å; E384-Q394 WeakPolarHBondContact OE1-CG 3.48Å; E384-Q394 PolarHBondContact OE1-NE2 2.94Å; E384-K658 IonicContact OE1-NZ 3.82Å; E384-K658 PolarHBondContact OE1-NZ 3.36Å; E384-K658 WeakPolarHBondContact OE2-CD 3.25Å; E384-K658 IonicContact OE2-NZ 3.31Å; E384-K658 PolarHBondContact OE2-NZ 3.48Å
385	A	96.1	Very high	94.5	Very high	69 Å²	69	40 Å²	40	57%	0.57	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.1	-171.1	0	0	0	0	0	113.9
386	Y	96.9	Very high	94.4	Very high	83 Å²	83	41.1 Å²	41.1	33%	0.325	23%	0.232	S	C	.	.	S	Bend	trans	-114	68	176.5	-83.9	-112.3	0	0	0	109.5	E384 K390 K392 T481	E384-Y386 WeakPolarHBondContact O-CD2 3.33Å; Y386-K390 PolarHBondContact N-O 3.42Å; Y386-K390 WeakPolarHBondContact O-CG 3.29Å; Y386-K390 PolarHBondContact O-NZ 3.23Å; Y386-K392 HydrophobicContact CD2-CG 4.17Å; Y386-K392 HydrophobicContact CE2-CB 4.18Å; Y386-K392 HydrophobicContact CE2-CG 3.54Å; Y386-T481 HydrophobicContact CD1-CG2 3.76Å; Y386-T481 HydrophobicContact CD2-CG2 4.1Å; Y386-T481 HydrophobicContact CE1-CG2 4.08Å; Y386-T481 WeakPolarHBondContact CE1-O 3.37Å; Y386-T481 HydrophobicContact CE2-CG2 4.43Å; Y386-T481 HydrophobicContact CG-CG2 3.76Å
387	G	94.5	Very high	94.3	Very high	57 Å²	57	41 Å²	41	59%	0.588	23%	0.231	S	C	*	.	S	Bend	trans	83.2	-159	-166.5	0	0	0	0	0	111.8
388	R	95.7	Very high	94.4	Very high	171 Å²	171	41.6 Å²	41.6	65%	0.645	23%	0.229	S	C	*	.	S	Bend	trans	-82.9	-27.4	-172.5	-174.9	173	174.6	91.5	-9.4	114.3	P368 V369	P368-R388 WeakPolarHBondContact CA-O 3.48Å; P368-R388 HydrophobicContact CB-CG 4.49Å; V369-R388 PolarHBondContact N-O 2.83Å
389	N	96.1	Very high	94.3	Very high	31 Å²	31	47 Å²	47	17%	0.166	26%	0.258	C	S	.	.	S	Bend	trans	-106.8	-16.5	-160.7	-54.6	-30.2	0	0	0	114.4	P366 P472 E475	P366-N389 HydrophobicContact CG-CB 4.44Å; N389-P472 HydrophobicContact CB-CG 4.17Å; N389-E475 WeakPolarHBondContact CB-OE1 3.48Å; N389-E475 PolarHBondContact ND2-OE1 2.65Å
390	K	97.4	Very high	94.2	Very high	23 Å²	23	47.4 Å²	47.4	10%	0.1	26%	0.258	C	S	.	.			trans	-145.1	155.3	-175.5	68.1	-175.5	-175.1	-54.4	0	112.4	Y386 E475 L480 T660 L661 M662	Y386-K390 PolarHBondContact N-O 3.42Å; Y386-K390 WeakPolarHBondContact O-CG 3.29Å; Y386-K390 PolarHBondContact O-NZ 3.23Å; K390-E475 HydrophobicContact CD-CB 4.42Å; K390-E475 VanDerWaalsContact CD-OE2 3.27Å; K390-E475 WeakPolarHBondContact CD-OE2 3.46Å; K390-E475 WeakPolarHBondContact CE-OE2 3.34Å; K390-E475 IonicContact NZ-OE2 3.44Å; K390-E475 PolarHBondContact NZ-OE2 3.02Å; K390-L480 HydrophobicContact CD-CD1 4.07Å; K390-L480 WeakPolarHBondContact CE-O 3.25Å; K390-T660 HydrophobicContact CB-CG2 4.25Å; K390-L661 WeakPolarHBondContact CA-O 3.47Å; K390-L661 WeakPolarHBondContact CB-O 3.42Å; K390-M662 HydrophobicContact CB-CG 3.89Å
391	A	98.3	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.6	-178.7	0	0	0	0	0	111.6	V369 L383 E384 T660 L661	V369-A391 HydrophobicContact CB-CB 4.5Å; V369-A391 HydrophobicContact CG1-CB 3.97Å; V369-A391 HydrophobicContact CG2-CB 3.72Å; L383-A391 HydrophobicContact CD1-CB 3.47Å; L383-A391 VanDerWaalsContact CD1-CB 3.47Å; L383-A391 HydrophobicContact CG-CB 3.81Å; E384-A391 CarbonylContact O-C 3.58Å; E384-A391 WeakPolarHBondContact O-CA 3.38Å; E384-A391 VanDerWaalsContact O-CB 3.32Å; E384-A391 WeakPolarHBondContact O-CB 3.37Å; A391-T660 CarbonylContact O-C 3.57Å; A391-T660 VanDerWaalsContact O-CA 3.31Å; A391-T660 WeakPolarHBondContact O-CA 3.17Å; A391-L661 PolarHBondContact N-O 3.35Å; A391-L661 PolarHBondContact O-N 3.23Å
392	K	98.7	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.5	161.7	-72	-55.6	-154.9	-175.6	0	109.7	E384 Y386 T481 D483 K658 T660	E384-K392 HydrophobicContact CB-CB 4Å; E384-K392 PolarHBondContact N-O 3.29Å; E384-K392 PolarHBondContact O-N 2.95Å; Y386-K392 HydrophobicContact CD2-CG 4.17Å; Y386-K392 HydrophobicContact CE2-CB 4.18Å; Y386-K392 HydrophobicContact CE2-CG 3.54Å; K392-T481 HydrophobicContact CD-CG2 4.2Å; K392-T481 WeakPolarHBondContact CE-OG1 3.32Å; K392-T481 HydrophobicContact CG-CG2 4.41Å; K392-T481 PolarHBondContact NZ-OG1 2.87Å; K392-T481 VanDerWaalsContact NZ-OG1 3.11Å; K392-D483 WeakPolarHBondContact CE-OD1 3.26Å; K392-D483 IonicContact NZ-OD1 3.17Å; K392-D483 PolarHBondContact NZ-OD1 2.76Å; K392-D483 IonicContact NZ-OD2 3.17Å; K392-D483 PolarHBondContact NZ-OD2 2.91Å; K392-K658 HydrophobicContact CB-CB 3.97Å; K392-K658 HydrophobicContact CB-CD 4.13Å; K392-K658 HydrophobicContact CD-CB 3.94Å; K392-K658 WeakPolarHBondContact CD-O 3.44Å; K392-K658 WeakPolarHBondContact CE-O 3.47Å; K392-K658 HydrophobicContact CG-CB 4.24Å; K392-K658 PolarHBondContact NZ-O 2.91Å; K392-T660 WeakPolarHBondContact CD-OG1 3.31Å; K392-T660 PolarHBondContact NZ-OG1 3.45Å
393	V	98.6	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	173.9	175.4	0	0	0	0	110.2	L378 E382 L383 L397 K658 P659 L661 F671 L692	L378-V393 HydrophobicContact CD1-CG1 4.44Å; L378-V393 HydrophobicContact CD1-CG2 3.76Å; L378-V393 HydrophobicContact CD2-CG1 3.81Å; E382-V393 WeakPolarHBondContact O-CA 3.49Å; L383-V393 HydrophobicContact CD1-CG2 4.19Å; V393-L397 HydrophobicContact CG1-CD1 4.29Å; V393-K658 WeakPolarHBondContact O-CB 3.48Å; V393-P659 PolarHBondContact N-O 2.91Å; V393-L661 HydrophobicContact CG2-CB 4.01Å; V393-L661 HydrophobicContact CG2-CD2 4.45Å; V393-F671 HydrophobicContact CB-CE1 3.94Å; V393-F671 HydrophobicContact CB-CZ 4.21Å; V393-F671 HydrophobicContact CG1-CZ 4.31Å; V393-F671 HydrophobicContact CG2-CE1 3.73Å; V393-F671 HydrophobicContact CG2-CZ 4.19Å; V393-L692 HydrophobicContact CG1-CD1 4.36Å
394	Q	96.8	Very high	93.7	Very high	62 Å²	62	50.2 Å²	50.2	29%	0.29	27%	0.272	S	S	.	.			trans	-71.4	152.7	-177.1	-66.2	-171.3	27.5	0	0	113.2	E381 E382 E384 S396	E381-Q394 PolarHBondContact O-NE2 3.28Å; E382-Q394 PolarHBondContact O-N 3.18Å; E384-Q394 WeakPolarHBondContact OE1-CG 3.48Å; E384-Q394 PolarHBondContact OE1-NE2 2.94Å; Q394-S396 VanDerWaalsContact C-N 3.33Å; Q394-S396 WeakPolarHBondContact CB-OG 3.47Å; Q394-S396 PolarHBondContact OE1-OG 3.43Å
395	L	96.3	Very high	93.5	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.157	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.5	-178.5	-52.8	-169.5	0	0	0	113.7	L397 L398 I657 L688 L692	L395-L397 PolarHBondContact O-N 3.19Å; L395-L397 VanDerWaalsContact O-N 3.12Å; L395-L398 WeakPolarHBondContact O-CB 3.04Å; L395-L398 PolarHBondContact O-N 3.01Å; L395-I657 HydrophobicContact CD1-CD1 4.1Å; L395-I657 HydrophobicContact CD1-CG1 4.37Å; L395-I657 HydrophobicContact CD1-CG2 4.1Å; L395-L688 HydrophobicContact CD1-CD1 3.8Å; L395-L688 HydrophobicContact CD1-CD2 4.16Å; L395-L688 HydrophobicContact CD2-CD1 4.16Å; L395-L688 HydrophobicContact CD2-CD2 4.09Å; L395-L692 HydrophobicContact CD2-CD1 4.18Å
396	S	91.8	Very high	93.4	Very high	48 Å²	48	50.7 Å²	50.7	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-56	-22.3	174.1	39.8	0	0	0	0	113.4	Q394 L398 D399 R400	Q394-S396 VanDerWaalsContact C-N 3.33Å; Q394-S396 WeakPolarHBondContact CB-OG 3.47Å; Q394-S396 PolarHBondContact OE1-OG 3.43Å; S396-L398 PolarHBondContact O-N 3.23Å; S396-D399 WeakPolarHBondContact O-CB 3.33Å; S396-D399 PolarHBondContact O-N 2.93Å; S396-D399 VanDerWaalsContact O-N 3.08Å; S396-R400 PolarHBondContact O-N 3.15Å
397	L	92.6	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-34.8	170	-174.7	150.9	0	0	0	113.3	L378 E382 V393 L395 D399 R400 L401 L692 K695 L696	L378-L397 HydrophobicContact CD2-CD1 3.2Å; E382-L397 VanDerWaalsContact OE1-CA 3.26Å; E382-L397 WeakPolarHBondContact OE1-CA 3.28Å; E382-L397 VanDerWaalsContact OE1-CB 3.31Å; E382-L397 WeakPolarHBondContact OE1-CB 3.45Å; V393-L397 HydrophobicContact CG1-CD1 4.29Å; L395-L397 PolarHBondContact O-N 3.19Å; L395-L397 VanDerWaalsContact O-N 3.12Å; L397-D399 VanDerWaalsContact C-N 3.3Å; L397-R400 PolarHBondContact O-N 3.46Å; L397-L401 HydrophobicContact CD2-CD1 3.95Å; L397-L401 HydrophobicContact CD2-CG 4.4Å; L397-L401 HydrophobicContact CG-CD1 4.24Å; L397-L401 WeakPolarHBondContact O-CB 3.38Å; L397-L401 PolarHBondContact O-N 3.23Å; L397-L692 HydrophobicContact CB-CD2 3.76Å; L397-L692 HydrophobicContact CD1-CD2 4.48Å; L397-L692 HydrophobicContact CD2-CB 4.44Å; L397-L692 HydrophobicContact CD2-CD2 3.58Å; L397-L692 HydrophobicContact CG-CD2 4.13Å; L397-K695 HydrophobicContact CD2-CB 4.28Å; L397-L696 HydrophobicContact CD1-CD1 3.9Å; L397-L696 HydrophobicContact CD1-CD2 3.96Å; L397-L696 HydrophobicContact CD1-CG 3.93Å; L397-L696 HydrophobicContact CD2-CG 4.19Å
398	L	93.4	Very high	93.6	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-32.9	176.1	-63.8	-179.1	0	0	0	111.8	L395 S396 H402 L688 K691 L692 K695	L395-L398 WeakPolarHBondContact O-CB 3.04Å; L395-L398 PolarHBondContact O-N 3.01Å; S396-L398 PolarHBondContact O-N 3.23Å; L398-H402 VanDerWaalsContact O-CA 3.27Å; L398-H402 WeakPolarHBondContact O-CA 3.44Å; L398-H402 VanDerWaalsContact O-CB 3.32Å; L398-H402 WeakPolarHBondContact O-CB 3.48Å; L398-H402 PolarHBondContact O-N 3.31Å; L398-L688 HydrophobicContact CD1-CD2 3.8Å; L398-K691 HydrophobicContact CD1-CB 4.49Å; L398-K691 HydrophobicContact CD2-CB 4.06Å; L398-L692 HydrophobicContact CD1-CD2 4.46Å; L398-L692 HydrophobicContact CD2-CD2 3.76Å; L398-L692 HydrophobicContact CD2-CG 4.26Å; L398-L692 HydrophobicContact CG-CD2 3.68Å; L398-L692 HydrophobicContact CG-CG 4.43Å; L398-K695 HydrophobicContact CD2-CG 4.14Å
399	D	89.8	Confident	93.7	Very high	122 Å²	122	39.1 Å²	39.1	65%	0.652	21%	0.212	S	C	*	.	H	α-helix	trans	-73	-41.4	174.3	-55.7	-49.6	0	0	0	110.5	S396 L397 H402	S396-D399 WeakPolarHBondContact O-CB 3.33Å; S396-D399 PolarHBondContact O-N 2.93Å; S396-D399 VanDerWaalsContact O-N 3.08Å; L397-D399 VanDerWaalsContact C-N 3.3Å; D399-H402 PolarHBondContact O-ND1 3.3Å
400	R	87.6	Confident	93.8	Very high	40 Å²	40	37.7 Å²	37.7	15%	0.151	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-46	176.1	-178.2	173.2	66.3	97.5	-7.8	112.5	G377 E382 S396 L397	G377-R400 PolarHBondContact O-NH2 2.58Å; E382-R400 VanDerWaalsContact CD-NH2 3.32Å; E382-R400 IonicContact OE1-CZ 3.84Å; E382-R400 IonicContact OE1-NE 2.91Å; E382-R400 PolarHBondContact OE1-NE 3.4Å; E382-R400 IonicContact OE1-NH2 2.83Å; E382-R400 PolarHBondContact OE1-NH2 3.11Å; E382-R400 VanDerWaalsContact OE1-NH2 3.12Å; E382-R400 IonicContact OE2-CZ 2.75Å; E382-R400 IonicContact OE2-NE 2.65Å; E382-R400 IonicContact OE2-NH2 3.73Å; E382-R400 PolarHBondContact OE2-NH2 3.34Å; S396-R400 PolarHBondContact O-N 3.15Å; L397-R400 PolarHBondContact O-N 3.46Å
401	L	89.6	Confident	93.9	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	20.4	-175	-57.3	-172	0	0	0	113.4	L397 S403 Q404 K695 L696	L397-L401 HydrophobicContact CD2-CD1 3.95Å; L397-L401 HydrophobicContact CD2-CG 4.4Å; L397-L401 HydrophobicContact CG-CD1 4.24Å; L397-L401 WeakPolarHBondContact O-CB 3.38Å; L397-L401 PolarHBondContact O-N 3.23Å; L401-S403 PolarHBondContact O-N 2.93Å; L401-Q404 HydrophobicContact CB-CB 4.22Å; L401-Q404 WeakPolarHBondContact O-CB 3.49Å; L401-Q404 PolarHBondContact O-N 3.46Å; L401-K695 HydrophobicContact CB-CB 3.92Å; L401-K695 HydrophobicContact CB-CG 4.25Å; L401-K695 HydrophobicContact CD1-CB 4.12Å; L401-K695 VanDerWaalsContact O-CD 3.32Å; L401-K695 WeakPolarHBondContact O-CD 3.41Å; L401-K695 VanDerWaalsContact O-CE 3.23Å; L401-K695 WeakPolarHBondContact O-CE 3.33Å; L401-L696 HydrophobicContact CD1-CD2 4.44Å
402	H	87.9	Confident	93.9	Very high	111 Å²	111	36.6 Å²	36.6	51%	0.514	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.1	-176.8	71.5	-88.1	0	0	0	112.6	L398 D399 K695	L398-H402 VanDerWaalsContact O-CA 3.27Å; L398-H402 WeakPolarHBondContact O-CA 3.44Å; L398-H402 VanDerWaalsContact O-CB 3.32Å; L398-H402 WeakPolarHBondContact O-CB 3.48Å; L398-H402 PolarHBondContact O-N 3.31Å; D399-H402 PolarHBondContact O-ND1 3.3Å; H402-K695 PolarHBondContact O-NZ 3Å; H402-K695 VanDerWaalsContact O-NZ 3.13Å
403	S	84.6	Confident	93.9	Very high	92 Å²	92	36.6 Å²	36.6	64%	0.643	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.4	-178.8	56.6	0	0	0	0	114.3	L401	L401-S403 PolarHBondContact O-N 2.93Å
404	Q	87.9	Confident	93.8	Very high	24 Å²	24	36.6 Å²	36.6	11%	0.112	20%	0.199	C	C	.	.	S	Bend	trans	-71.5	128.6	175	179.8	163.5	-17.1	0	0	109.5	L401 K695	L401-Q404 HydrophobicContact CB-CB 4.22Å; L401-Q404 WeakPolarHBondContact O-CB 3.49Å; L401-Q404 PolarHBondContact O-N 3.46Å; Q404-K695 VanDerWaalsContact CD-O 3.27Å; Q404-K695 PolarHBondContact NE2-O 3.42Å; Q404-K695 WeakPolarHBondContact O-CD 3Å; Q404-K695 PolarHBondContact O-NZ 3.47Å
405	P	92.1	Very high	93.8	Very high	63 Å²	63	33.6 Å²	33.6	41%	0.409	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-63.4	136.4	176	23.8	-34.2	0	0	0	112.3	Q699	P405-Q699 HydrophobicContact CB-CB 4.05Å; P405-Q699 HydrophobicContact CG-CB 3.8Å; P405-Q699 PolarHBondContact O-N 2.93Å
406	D	95.8	Very high	93.9	Very high	67 Å²	67	32.2 Å²	32.2	36%	0.358	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-62.4	141.9	175.9	-67.5	29.6	0	0	0	111.3	L694 K695	D406-L694 HydrophobicContact CB-CB 4.18Å; D406-K695 WeakPolarHBondContact OD1-CD 3.35Å; D406-K695 WeakPolarHBondContact OD1-CE 3.08Å; D406-K695 IonicContact OD1-NZ 3.84Å; D406-K695 PolarHBondContact OD1-NZ 2.72Å
407	G	96.4	Very high	94	Very high	8 Å²	8	30.5 Å²	30.5	8%	0.082	17%	0.165	C	C	.	.			trans	-75.1	-170.4	174	0	0	0	0	0	115.6	L694 G698	G407-L694 PolarHBondContact N-O 2.93Å; G407-L694 WeakPolarHBondContact O-CD2 3.38Å; G407-G698 WeakPolarHBondContact CA-O 3.38Å
408	K	98	Very high	94	Very high	57 Å²	57	31 Å²	31	25%	0.248	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.6	178.8	-57.4	-62.4	-177.5	159.6	0	111.3	G701 Y702 V703 N731 A845	K408-G701 WeakPolarHBondContact CB-O 3.4Å; K408-G701 PolarHBondContact N-O 3.43Å; K408-Y702 HydrophobicContact CB-CD1 3.7Å; K408-Y702 HydrophobicContact CB-CE1 3.77Å; K408-Y702 HydrophobicContact CB-CG 4.16Å; K408-Y702 HydrophobicContact CG-CD1 4.31Å; K408-Y702 HydrophobicContact CG-CE1 3.93Å; K408-Y702 HydrophobicContact CG-CE2 4.39Å; K408-Y702 CarbonylContact O-C 3.22Å; K408-Y702 WeakPolarHBondContact O-CA 3.47Å; K408-V703 PolarHBondContact O-N 2.98Å; K408-N731 VanDerWaalsContact CA-OD1 3.31Å; K408-N731 WeakPolarHBondContact CA-OD1 3.47Å; K408-A845 HydrophobicContact CB-CB 4.32Å; K408-A845 HydrophobicContact CD-CB 4.26Å; K408-A845 WeakPolarHBondContact CE-O 3.3Å; K408-A845 HydrophobicContact CG-CB 4.2Å; K408-A845 PolarHBondContact NZ-O 3.47Å
409	Y	98.2	Very high	93.7	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.4	-177.8	-166.9	-145.8	0	0	0	110.9	D690 L694 V703 T705 F718 L728 N731	Y409-D690 HydrophobicContact CE2-CB 3.69Å; Y409-D690 PolarHBondContact OH-OD2 3.36Å; Y409-L694 HydrophobicContact CD2-CD1 4.06Å; Y409-L694 HydrophobicContact CD2-CD2 4.32Å; Y409-L694 HydrophobicContact CD2-CG 4.47Å; Y409-L694 HydrophobicContact CE2-CD1 4.44Å; Y409-L694 HydrophobicContact CG-CD1 4.21Å; Y409-L694 HydrophobicContact CG-CD2 4.48Å; Y409-V703 HydrophobicContact CD2-CB 4.36Å; Y409-V703 HydrophobicContact CD2-CG1 4.34Å; Y409-V703 HydrophobicContact CE2-CG1 4.48Å; Y409-T705 HydrophobicContact CD2-CG2 4.14Å; Y409-T705 HydrophobicContact CE2-CG2 3.41Å; Y409-T705 VanDerWaalsContact CE2-CG2 3.41Å; Y409-F718 AromaticContact CE1-CE1 3.97Å; Y409-F718 HydrophobicContact CE1-CE1 3.97Å; Y409-F718 AromaticContact CE1-CZ 3.68Å; Y409-F718 HydrophobicContact CE1-CZ 3.68Å; Y409-F718 HydrophobicContact CE2-CZ 4.29Å; Y409-F718 AromaticContact CZ-CZ 3.48Å; Y409-F718 VanDerWaalsContact CZ-CZ 3.48Å; Y409-F718 WeakPolarHBondContact OH-CZ 3.39Å; Y409-L728 HydrophobicContact CD1-CB 4.04Å; Y409-L728 HydrophobicContact CE1-CB 3.7Å; Y409-L728 HydrophobicContact CE1-CD1 4.04Å; Y409-N731 PolarHBondContact N-OD1 2.81Å; Y409-N731 PolarHBondContact O-N 2.83Å
410	V	98.8	Very high	93.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	-174.7	-178	0	0	0	0	109.7	L431 Y702 V703 V704 T705 V732 V734 V841	V410-L431 HydrophobicContact CG1-CD2 4.41Å; V410-Y702 HydrophobicContact CG2-CD1 4.12Å; V410-V703 PolarHBondContact N-O 2.95Å; V410-V704 HydrophobicContact CG1-CG1 4.47Å; V410-V704 WeakPolarHBondContact O-CA 3.36Å; V410-T705 PolarHBondContact O-N 3.02Å; V410-V732 HydrophobicContact CG1-CB 4.33Å; V410-V732 HydrophobicContact CG2-CB 4.38Å; V410-V734 HydrophobicContact CG1-CG2 3.84Å; V410-V841 HydrophobicContact CG1-CG1 4.04Å; V410-V841 HydrophobicContact CG2-CG1 3.79Å
411	L	98.7	Very high	93.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.4	175.5	170.2	63.3	0	0	0	110.6	T705 A707 M715 F718 F719 V732 M733 V734	L411-T705 CarbonylContact C-O 3.48Å; L411-T705 WeakPolarHBondContact CA-O 3.16Å; L411-A707 HydrophobicContact CD1-CB 4Å; L411-M715 HydrophobicContact CD2-CB 3.95Å; L411-M715 HydrophobicContact CD2-CG 3.72Å; L411-F718 HydrophobicContact CB-CE1 4.22Å; L411-F718 HydrophobicContact CB-CZ 4.27Å; L411-F718 HydrophobicContact CD1-CD1 4.27Å; L411-F718 HydrophobicContact CD1-CD2 3.72Å; L411-F718 HydrophobicContact CD1-CE1 4.27Å; L411-F718 HydrophobicContact CD1-CE2 3.73Å; L411-F718 HydrophobicContact CD1-CG 4Å; L411-F718 HydrophobicContact CD1-CZ 3.99Å; L411-F718 HydrophobicContact CD2-CB 4.28Å; L411-F718 HydrophobicContact CD2-CD1 3.7Å; L411-F718 HydrophobicContact CD2-CE1 4.04Å; L411-F718 HydrophobicContact CD2-CG 3.95Å; L411-F718 HydrophobicContact CG-CD1 4.44Å; L411-F718 HydrophobicContact CG-CE1 4.41Å; L411-F718 HydrophobicContact CG-CZ 4.5Å; L411-F719 HydrophobicContact CD2-CD1 4.4Å; L411-F719 HydrophobicContact CD2-CE1 3.55Å; L411-F719 HydrophobicContact CD2-CZ 3.74Å; L411-V732 PolarHBondContact N-O 3.37Å; L411-M733 CarbonylContact O-C 3.45Å; L411-M733 WeakPolarHBondContact O-CA 3.34Å; L411-V734 PolarHBondContact O-N 3.29Å
412	V	98.8	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.3	165.9	-172.3	0	0	0	0	109.9	T428 V704 T705 E706 A707 V734 V736	V412-T428 HydrophobicContact CG2-CG2 4.24Å; V412-V704 HydrophobicContact CG2-CG1 3.62Å; V412-T705 PolarHBondContact N-O 3.33Å; V412-E706 HydrophobicContact CB-CB 4.34Å; V412-E706 WeakPolarHBondContact O-CA 3.22Å; V412-A707 PolarHBondContact O-N 3.22Å; V412-V734 HydrophobicContact CG1-CG1 4.49Å; V412-V734 HydrophobicContact CG2-CB 4.2Å; V412-V736 HydrophobicContact CG1-CG2 3.6Å
413	A	97.4	Very high	93.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	176.8	165.5	0	0	0	0	0	109.7	A711 M715 M733 V734 L735 V736	A413-A711 HydrophobicContact CB-CB 4.37Å; A413-M715 HydrophobicContact CB-CB 4.2Å; A413-M733 HydrophobicContact CB-CE 3.72Å; A413-V734 PolarHBondContact N-O 3.43Å; A413-L735 WeakPolarHBondContact O-CA 3.27Å; A413-V736 PolarHBondContact O-N 2.91Å
414	G	96.7	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	172.5	-176.2	0	0	0	0	0	113.9	G710 A711 L735 V736	G414-G710 CarbonylContact O-C 3.54Å; G414-G710 VanDerWaalsContact O-CA 3.26Å; G414-G710 WeakPolarHBondContact O-CA 3.23Å; G414-A711 PolarHBondContact O-N 2.9Å; G414-L735 WeakPolarHBondContact O-CD1 3.34Å; G414-V736 CarbonylContact C-O 3.58Å; G414-V736 WeakPolarHBondContact CA-O 3.32Å
415	I	98.2	Very high	94	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-59.4	171.4	155.2	61.1	176.2	0	0	0	110.8	P417 E422 G710 L735 V736 A737 A741 L742 L777	I415-P417 VanDerWaalsContact O-CD 3.3Å; I415-P417 WeakPolarHBondContact O-CD 3.25Å; I415-E422 HydrophobicContact CG1-CG 4Å; I415-G710 WeakPolarHBondContact O-CA 3.44Å; I415-L735 HydrophobicContact CG2-CD1 4.22Å; I415-L735 HydrophobicContact CG2-CG 4.41Å; I415-V736 PolarHBondContact N-O 2.73Å; I415-A737 HydrophobicContact CD1-CB 3.97Å; I415-A737 HydrophobicContact CG1-CB 4.44Å; I415-A737 HydrophobicContact CG2-CB 4.05Å; I415-A741 HydrophobicContact CD1-CB 3.78Å; I415-L742 HydrophobicContact CD1-CD2 3.96Å; I415-L742 HydrophobicContact CD1-CG 4.19Å; I415-L777 HydrophobicContact CG2-CD1 3.61Å
416	T	97.1	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-60.1	124.1	179.6	-60.6	0	0	0	0	110.3	H745 N776 Q780 H907	T416-H745 WeakPolarHBondContact CA-NE2 3.42Å; T416-H745 WeakPolarHBondContact CB-NE2 3.27Å; T416-H745 PolarHBondContact O-CE1 2.99Å; T416-H745 PolarHBondContact O-NE2 3.46Å; T416-N776 WeakPolarHBondContact CB-ND2 3.41Å; T416-N776 PolarHBondContact N-OD1 2.94Å; T416-N776 PolarHBondContact OG1-ND2 3.32Å; T416-N776 PolarHBondContact OG1-OD1 2.78Å; T416-Q780 PolarHBondContact OG1-NE2 2.79Å; T416-H907 WeakPolarHBondContact CG2-O 3.45Å
417	P	94.4	Very high	94.3	Very high	12 Å²	12	16.3 Å²	16.3	8%	0.078	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-49.8	140.4	-175.8	-33.4	33.1	0	0	0	116.6	I415 E422 F709 H907	I415-P417 VanDerWaalsContact O-CD 3.3Å; I415-P417 WeakPolarHBondContact O-CD 3.25Å; P417-E422 WeakPolarHBondContact CA-OE1 3.35Å; P417-F709 HydrophobicContact CG-CB 4Å; P417-F709 HydrophobicContact CG-CD1 4.3Å; P417-H907 VanDerWaalsContact CD-O 3.22Å; P417-H907 WeakPolarHBondContact CD-O 3.32Å
418	T	92.4	Very high	94.4	Very high	10 Å²	10	15.9 Å²	15.9	6%	0.061	10%	0.099	C	C	.	.			trans	-125.7	161.7	176.5	64.9	0	0	0	0	111.4	F420 G421 E422 A741 M744 H745	T418-F420 PolarHBondContact O-N 2.92Å; T418-G421 PolarHBondContact O-N 3.45Å; T418-G421 VanDerWaalsContact O-N 3.11Å; T418-E422 PolarHBondContact N-OE1 2.99Å; T418-E422 PolarHBondContact OG1-OE1 3.41Å; T418-A741 HydrophobicContact CG2-CB 3.8Å; T418-A741 VanDerWaalsContact OG1-CB 3.32Å; T418-A741 WeakPolarHBondContact OG1-CB 3.39Å; T418-M744 HydrophobicContact CG2-CB 4.45Å; T418-M744 HydrophobicContact CG2-SD 4.04Å; T418-H745 WeakPolarHBondContact CG2-NE2 2.99Å
419	P	86.8	Confident	94.4	Very high	81 Å²	81	13.2 Å²	13.2	53%	0.526	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.7	176.9	-24.3	35.6	0	0	0	115.1	M744	P419-M744 HydrophobicContact CG-CE 4.39Å
420	F	83.6	Confident	94.5	Very high	31 Å²	31	13 Å²	13	14%	0.136	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-24.8	176.4	-61.4	-72.7	0	0	0	113.8	T418 R740 M744 V751 L757 Y761	T418-F420 PolarHBondContact O-N 2.92Å; F420-R740 HydrophobicContact CD1-CB 4.22Å; F420-R740 HydrophobicContact CD2-CB 4.24Å; F420-R740 HydrophobicContact CE1-CB 4.38Å; F420-R740 HydrophobicContact CE2-CB 4.42Å; F420-R740 HydrophobicContact CG-CB 4.14Å; F420-R740 HydrophobicContact CZ-CB 4.48Å; F420-M744 HydrophobicContact CE2-CB 4.3Å; F420-M744 HydrophobicContact CE2-SD 4.46Å; F420-V751 HydrophobicContact CE1-CG2 4.4Å; F420-V751 HydrophobicContact CE2-CG2 4.33Å; F420-V751 HydrophobicContact CZ-CG2 3.72Å; F420-L757 HydrophobicContact CE1-CD1 4.28Å; F420-L757 HydrophobicContact CE1-CD2 3.87Å; F420-Y761 HydrophobicContact CE1-CD1 4.27Å; F420-Y761 HydrophobicContact CE1-CG 4.09Å; F420-Y761 AromaticContact CE2-CD1 3.71Å; F420-Y761 HydrophobicContact CE2-CD1 3.71Å; F420-Y761 AromaticContact CE2-CE1 3.55Å; F420-Y761 HydrophobicContact CE2-CE1 3.55Å; F420-Y761 HydrophobicContact CE2-CE2 4.47Å; F420-Y761 HydrophobicContact CE2-CG 4.24Å; F420-Y761 AromaticContact CE2-CZ 3.94Å; F420-Y761 AromaticContact CZ-CD1 3.36Å; F420-Y761 HydrophobicContact CZ-CD1 3.36Å; F420-Y761 AromaticContact CZ-CD2 3.72Å; F420-Y761 HydrophobicContact CZ-CD2 3.72Å; F420-Y761 AromaticContact CZ-CE1 3.57Å; F420-Y761 HydrophobicContact CZ-CE1 3.57Å; F420-Y761 AromaticContact CZ-CE2 3.9Å; F420-Y761 HydrophobicContact CZ-CE2 3.9Å; F420-Y761 AromaticContact CZ-CG 3.42Å; F420-Y761 HydrophobicContact CZ-CG 3.42Å; F420-Y761 VanDerWaalsContact CZ-CG 3.42Å; F420-Y761 AromaticContact CZ-CZ 3.82Å
421	G	81.5	Confident	94.5	Very high	32 Å²	32	13 Å²	13	33%	0.33	9%	0.087	S	C	.	.			trans	71.8	141.1	-167.6	0	0	0	0	0	113.2	T418	T418-G421 PolarHBondContact O-N 3.45Å; T418-G421 VanDerWaalsContact O-N 3.11Å
422	E	86.9	Confident	94.5	Very high	9 Å²	9	13 Å²	13	4%	0.042	9%	0.087	C	C	.	.			trans	-95	-15.8	-178.8	-52.9	72.3	-131.6	0	0	112.9	I415 P417 T418 K424 V736 T738 N796	I415-E422 HydrophobicContact CG1-CG 4Å; P417-E422 WeakPolarHBondContact CA-OE1 3.35Å; T418-E422 PolarHBondContact N-OE1 2.99Å; T418-E422 PolarHBondContact OG1-OE1 3.41Å; E422-K424 IonicContact OE2-NZ 3.33Å; E422-K424 PolarHBondContact OE2-NZ 2.89Å; E422-V736 HydrophobicContact CB-CG1 4.15Å; E422-V736 VanDerWaalsContact O-CG1 3.31Å; E422-V736 WeakPolarHBondContact O-CG1 3.19Å; E422-T738 HydrophobicContact CB-CG2 4.4Å; E422-N796 PolarHBondContact O-ND2 2.97Å
423	G	91.1	Very high	94.4	Very high	22 Å²	22	13 Å²	13	23%	0.227	9%	0.087	C	C	.	.			trans	70.5	35.4	-175.5	0	0	0	0	0	114	T425 T426 V427	G423-T425 PolarHBondContact O-N 3.44Å; G423-T426 WeakPolarHBondContact CA-OG1 3.49Å; G423-T426 WeakPolarHBondContact O-CA 3.2Å; G423-T426 WeakPolarHBondContact O-CB 3.06Å; G423-T426 PolarHBondContact O-N 3.1Å; G423-T426 VanDerWaalsContact O-N 3.12Å; G423-T426 PolarHBondContact O-OG1 3.36Å; G423-V427 PolarHBondContact O-N 3.04Å
424	K	95	Very high	94.5	Very high	30 Å²	30	13 Å²	13	13%	0.13	9%	0.087	C	C	.	.	H	α-helix	trans	-48.8	-57.4	-179.4	-78.1	177.2	-79.1	-84.5	0	112.9	E422 T426 V427 T428 F709 V736	E422-K424 IonicContact OE2-NZ 3.33Å; E422-K424 PolarHBondContact OE2-NZ 2.89Å; K424-T426 VanDerWaalsContact C-N 3.27Å; K424-T426 PolarHBondContact O-N 3.47Å; K424-V427 WeakPolarHBondContact O-CA 3.39Å; K424-V427 WeakPolarHBondContact O-CB 3.41Å; K424-V427 PolarHBondContact O-N 3.13Å; K424-V427 VanDerWaalsContact O-N 3.1Å; K424-T428 PolarHBondContact O-N 3.24Å; K424-T428 PolarHBondContact O-OG1 3.28Å; K424-F709 VanDerWaalsContact CD-O 3.27Å; K424-F709 WeakPolarHBondContact CD-O 3.29Å; K424-F709 WeakPolarHBondContact CE-O 3.47Å; K424-F709 PolarHBondContact NZ-O 2.72Å; K424-V736 HydrophobicContact CG-CB 4.16Å; K424-V736 HydrophobicContact CG-CG2 4.38Å
425	T	96.1	Very high	94.6	Very high	34 Å²	34	13 Å²	13	21%	0.209	9%	0.087	C	C	.	.	H	α-helix	trans	-64.7	-32.6	-179.4	-46.6	0	0	0	0	112	G423 T428 V429 L447 E706	G423-T425 PolarHBondContact O-N 3.44Å; T425-T428 WeakPolarHBondContact O-CB 3.49Å; T425-T428 PolarHBondContact O-N 2.94Å; T425-V429 WeakPolarHBondContact O-CB 3.46Å; T425-V429 WeakPolarHBondContact O-CG2 3.47Å; T425-V429 PolarHBondContact O-N 3.09Å; T425-L447 HydrophobicContact CG2-CD1 3.95Å; T425-L447 HydrophobicContact CG2-CD2 4.13Å; T425-E706 WeakPolarHBondContact CA-OE2 3.42Å; T425-E706 VanDerWaalsContact CB-OE2 3.29Å; T425-E706 WeakPolarHBondContact CB-OE2 3.43Å; T425-E706 WeakPolarHBondContact CG2-OE2 3.45Å; T425-E706 PolarHBondContact OG1-OE2 3.37Å
426	T	96.8	Very high	94.5	Very high	13 Å²	13	13.3 Å²	13.3	8%	0.08	9%	0.088	C	C	.	.	H	α-helix	trans	-60.6	-43.7	172.6	-30.9	0	0	0	0	110.7	G423 K424 G430 G464 G465 A468 H826 W827	G423-T426 WeakPolarHBondContact CA-OG1 3.49Å; G423-T426 WeakPolarHBondContact O-CA 3.2Å; G423-T426 WeakPolarHBondContact O-CB 3.06Å; G423-T426 PolarHBondContact O-N 3.1Å; G423-T426 VanDerWaalsContact O-N 3.12Å; G423-T426 PolarHBondContact O-OG1 3.36Å; K424-T426 VanDerWaalsContact C-N 3.27Å; K424-T426 PolarHBondContact O-N 3.47Å; T426-G430 PolarHBondContact O-N 2.69Å; T426-G464 PolarHBondContact OG1-O 3.18Å; T426-G464 VanDerWaalsContact OG1-O 3.04Å; T426-G465 WeakPolarHBondContact CG2-O 3.41Å; T426-A468 HydrophobicContact CG2-CB 4.25Å; T426-H826 PolarHBondContact O-CD2 2.97Å; T426-H826 PolarHBondContact O-NE2 3.43Å; T426-W827 HydrophobicContact CG2-CB 4.23Å
427	V	98.1	Very high	94.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-45.3	171.6	175.2	0	0	0	0	111.6	G423 K424 V429 G430 L431 V734 V736 A794 N796 H826 L837	G423-V427 PolarHBondContact O-N 3.04Å; K424-V427 WeakPolarHBondContact O-CA 3.39Å; K424-V427 WeakPolarHBondContact O-CB 3.41Å; K424-V427 PolarHBondContact O-N 3.13Å; K424-V427 VanDerWaalsContact O-N 3.1Å; V427-V429 VanDerWaalsContact C-N 3.3Å; V427-V429 PolarHBondContact O-N 2.91Å; V427-G430 PolarHBondContact O-N 2.65Å; V427-L431 WeakPolarHBondContact O-CB 3.49Å; V427-L431 PolarHBondContact O-N 2.96Å; V427-V734 HydrophobicContact CG1-CG1 4.33Å; V427-V736 HydrophobicContact CB-CG2 3.85Å; V427-V736 HydrophobicContact CG1-CG2 3.89Å; V427-V736 HydrophobicContact CG2-CG1 3.77Å; V427-V736 HydrophobicContact CG2-CG2 3.91Å; V427-A794 HydrophobicContact CG1-CB 3.84Å; V427-N796 HydrophobicContact CG2-CB 4.13Å; V427-H826 PolarHBondContact N-NE2 3.32Å; V427-L837 HydrophobicContact CG1-CD2 3.71Å
428	T	98.5	Very high	94.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-53.4	-48.1	177.6	-51	0	0	0	0	111.3	V412 K424 T425 V432 L447 V704	V412-T428 HydrophobicContact CG2-CG2 4.24Å; K424-T428 PolarHBondContact O-N 3.24Å; K424-T428 PolarHBondContact O-OG1 3.28Å; T425-T428 WeakPolarHBondContact O-CB 3.49Å; T425-T428 PolarHBondContact O-N 2.94Å; T428-V432 PolarHBondContact O-N 2.75Å; T428-V432 VanDerWaalsContact O-N 3.13Å; T428-L447 HydrophobicContact CG2-CD2 3.69Å; T428-V704 HydrophobicContact CG2-CB 4.48Å; T428-V704 HydrophobicContact CG2-CG1 3.89Å
429	V	98.5	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-73.3	-41.1	-179.7	174.3	0	0	0	0	111.7	T425 V427 L431 V432 Q433 L447 A468 V470 T664	T425-V429 WeakPolarHBondContact O-CB 3.46Å; T425-V429 WeakPolarHBondContact O-CG2 3.47Å; T425-V429 PolarHBondContact O-N 3.09Å; V427-V429 VanDerWaalsContact C-N 3.3Å; V427-V429 PolarHBondContact O-N 2.91Å; V429-L431 VanDerWaalsContact C-N 3.32Å; V429-L431 PolarHBondContact O-N 3.31Å; V429-V432 WeakPolarHBondContact O-CG1 3.45Å; V429-V432 PolarHBondContact O-N 2.82Å; V429-Q433 WeakPolarHBondContact O-CB 3.33Å; V429-Q433 WeakPolarHBondContact O-CG 3.43Å; V429-Q433 PolarHBondContact O-N 3.12Å; V429-L447 HydrophobicContact CG2-CD1 4.03Å; V429-A468 HydrophobicContact CG1-CB 4.38Å; V429-V470 HydrophobicContact CG2-CG2 4.12Å; V429-T664 HydrophobicContact CG1-CG2 3.74Å
430	G	98.4	Very high	95	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-38.7	174.4	0	0	0	0	0	113	T426 V427 A434 S834	T426-G430 PolarHBondContact O-N 2.69Å; V427-G430 PolarHBondContact O-N 2.65Å; G430-A434 WeakPolarHBondContact O-CB 3.4Å; G430-A434 PolarHBondContact O-N 2.83Å; G430-S834 WeakPolarHBondContact O-CB 3.31Å
431	L	98.8	Very high	95.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.2	-46.6	177.3	176	54.8	0	0	0	112.1	V410 V427 V429 Q433 A434 L435 V704 V734 L837 A838 V841	V410-L431 HydrophobicContact CG1-CD2 4.41Å; V427-L431 WeakPolarHBondContact O-CB 3.49Å; V427-L431 PolarHBondContact O-N 2.96Å; V429-L431 VanDerWaalsContact C-N 3.32Å; V429-L431 PolarHBondContact O-N 3.31Å; L431-Q433 VanDerWaalsContact C-N 3.31Å; L431-Q433 PolarHBondContact O-N 3.44Å; L431-A434 WeakPolarHBondContact O-CB 3.44Å; L431-A434 PolarHBondContact O-N 3.32Å; L431-L435 HydrophobicContact CD1-CD1 3.89Å; L431-L435 HydrophobicContact CD1-CG 4.07Å; L431-L435 HydrophobicContact CG-CD1 4.01Å; L431-L435 WeakPolarHBondContact O-CG 3.13Å; L431-L435 PolarHBondContact O-N 3.22Å; L431-V704 HydrophobicContact CD2-CG1 3.87Å; L431-V704 HydrophobicContact CD2-CG2 4.44Å; L431-V704 HydrophobicContact CG-CG1 4.32Å; L431-V704 HydrophobicContact CG-CG2 4.29Å; L431-V734 HydrophobicContact CD2-CG2 4.03Å; L431-L837 HydrophobicContact CB-CD2 4.19Å; L431-L837 HydrophobicContact CD1-CD2 4.22Å; L431-L837 HydrophobicContact CD1-CG 4.07Å; L431-L837 HydrophobicContact CD2-CD2 4.28Å; L431-L837 HydrophobicContact CG-CD2 4.47Å; L431-A838 HydrophobicContact CD1-CB 3.98Å; L431-V841 HydrophobicContact CD1-CB 4.43Å; L431-V841 HydrophobicContact CD1-CG2 4.29Å; L431-V841 HydrophobicContact CD2-CG2 4.12Å
432	V	98.5	Very high	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-37.7	176.9	82.8	0	0	0	0	111.4	T428 V429 L435 S436 F444 A445 T664 T668 V704	T428-V432 PolarHBondContact O-N 2.75Å; T428-V432 VanDerWaalsContact O-N 3.13Å; V429-V432 WeakPolarHBondContact O-CG1 3.45Å; V429-V432 PolarHBondContact O-N 2.82Å; V432-L435 PolarHBondContact O-N 2.97Å; V432-S436 VanDerWaalsContact O-CB 3.25Å; V432-S436 WeakPolarHBondContact O-CB 3.11Å; V432-S436 PolarHBondContact O-N 2.8Å; V432-F444 WeakPolarHBondContact CG2-O 3.35Å; V432-A445 HydrophobicContact CB-CB 4.11Å; V432-A445 HydrophobicContact CG1-CB 3.81Å; V432-A445 HydrophobicContact CG2-CB 4.27Å; V432-T664 HydrophobicContact CG1-CG2 3.96Å; V432-T668 HydrophobicContact CB-CG2 4.26Å; V432-T668 HydrophobicContact CG1-CG2 3.84Å; V432-T668 HydrophobicContact CG2-CG2 3.64Å; V432-V704 HydrophobicContact CB-CG2 4.22Å; V432-V704 HydrophobicContact CG2-CG2 4.29Å
433	Q	98.4	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-44.9	172.6	-80.2	178.8	-126.4	0	0	111.4	V429 L431 S436 A437 H438 Y467 T664 E666	V429-Q433 WeakPolarHBondContact O-CB 3.33Å; V429-Q433 WeakPolarHBondContact O-CG 3.43Å; V429-Q433 PolarHBondContact O-N 3.12Å; L431-Q433 VanDerWaalsContact C-N 3.31Å; L431-Q433 PolarHBondContact O-N 3.44Å; Q433-S436 PolarHBondContact O-N 3.38Å; Q433-A437 WeakPolarHBondContact O-CA 3.14Å; Q433-A437 VanDerWaalsContact O-CB 3.3Å; Q433-A437 WeakPolarHBondContact O-CB 3.44Å; Q433-A437 PolarHBondContact O-N 2.99Å; Q433-H438 PolarHBondContact O-CD2 3.49Å; Q433-Y467 PolarHBondContact NE2-O 3.18Å; Q433-T664 HydrophobicContact CG-CG2 4.01Å; Q433-T664 WeakPolarHBondContact CG-OG1 3.19Å; Q433-E666 WeakPolarHBondContact CB-OE2 3.35Å; Q433-E666 HydrophobicContact CG-CB 4.23Å; Q433-E666 PolarHBondContact NE2-OE2 2.84Å
434	A	98.5	Very high	97.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-60.5	-50	176.6	0	0	0	0	0	112.6	G430 L431 S436 H438 L439 G831 S834 A838	G430-A434 WeakPolarHBondContact O-CB 3.4Å; G430-A434 PolarHBondContact O-N 2.83Å; L431-A434 WeakPolarHBondContact O-CB 3.44Å; L431-A434 PolarHBondContact O-N 3.32Å; A434-S436 PolarHBondContact O-N 3.38Å; A434-H438 WeakPolarHBondContact O-CB 3.23Å; A434-H438 PolarHBondContact O-N 2.88Å; A434-L439 PolarHBondContact O-N 3.41Å; A434-G831 VanDerWaalsContact CB-O 3.23Å; A434-G831 WeakPolarHBondContact CB-O 3.35Å; A434-S834 WeakPolarHBondContact CB-O 3.41Å; A434-A838 HydrophobicContact CB-CB 3.59Å
435	L	98.2	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-60.3	-44	178.2	-69.3	161.9	0	0	0	111.9	L431 V432 L439 K440 L441 S443 Y702 V704 A838	L431-L435 HydrophobicContact CD1-CD1 3.89Å; L431-L435 HydrophobicContact CD1-CG 4.07Å; L431-L435 HydrophobicContact CG-CD1 4.01Å; L431-L435 WeakPolarHBondContact O-CG 3.13Å; L431-L435 PolarHBondContact O-N 3.22Å; V432-L435 PolarHBondContact O-N 2.97Å; L435-L439 HydrophobicContact CD2-CD1 4.46Å; L435-L439 CarbonylContact O-C 3.58Å; L435-L439 WeakPolarHBondContact O-CB 3.36Å; L435-K440 PolarHBondContact O-N 3.07Å; L435-L441 HydrophobicContact CD2-CD1 3.96Å; L435-L441 PolarHBondContact O-N 3.45Å; L435-S443 WeakPolarHBondContact CB-OG 3.41Å; L435-Y702 HydrophobicContact CD1-CD1 4.49Å; L435-Y702 HydrophobicContact CD1-CG 4.29Å; L435-Y702 HydrophobicContact CD2-CD1 4.45Å; L435-Y702 HydrophobicContact CD2-CD2 4.5Å; L435-Y702 HydrophobicContact CD2-CG 4.34Å; L435-V704 HydrophobicContact CD1-CG2 3.87Å; L435-A838 HydrophobicContact CD2-CB 3.85Å; L435-A838 HydrophobicContact CG-CB 3.89Å
436	S	96.4	Very high	97.4	Very high	5 Å²	5	14.4 Å²	14.4	4%	0.035	7%	0.07	C	C	.	.	I	π-helix	trans	-89.3	-55.8	-172.4	-168.4	0	0	0	0	114.2	L343 V432 Q433 A434 K440 L441 T668	L343-S436 WeakPolarHBondContact CD2-OG 3.23Å; V432-S436 VanDerWaalsContact O-CB 3.25Å; V432-S436 WeakPolarHBondContact O-CB 3.11Å; V432-S436 PolarHBondContact O-N 2.8Å; Q433-S436 PolarHBondContact O-N 3.38Å; A434-S436 PolarHBondContact O-N 3.38Å; S436-K440 WeakPolarHBondContact O-CA 3.19Å; S436-K440 PolarHBondContact O-N 3.14Å; S436-L441 WeakPolarHBondContact CA-O 3.36Å; S436-T668 VanDerWaalsContact CB-CG2 3.45Å
437	A	95.5	Very high	97.5	Very high	7 Å²	7	13.9 Å²	13.9	6%	0.058	7%	0.067	C	C	.	.	I	π-helix	trans	-76	-30.8	-174.6	0	0	0	0	0	112.6	Q433 K440 E666	Q433-A437 WeakPolarHBondContact O-CA 3.14Å; Q433-A437 VanDerWaalsContact O-CB 3.3Å; Q433-A437 WeakPolarHBondContact O-CB 3.44Å; Q433-A437 PolarHBondContact O-N 2.99Å; A437-K440 WeakPolarHBondContact O-CE 3.24Å; A437-K440 PolarHBondContact O-NZ 2.8Å; A437-E666 HydrophobicContact CB-CB 3.93Å
438	H	96	Very high	97.4	Very high	69 Å²	69	17.2 Å²	17.2	32%	0.319	8%	0.08	S	C	.	.	I	π-helix	trans	-106.6	-43	-173.8	-58.8	-89.4	0	0	0	113.3	Q433 A434 E666 G831 R832 L835	Q433-H438 PolarHBondContact O-CD2 3.49Å; A434-H438 WeakPolarHBondContact O-CB 3.23Å; A434-H438 PolarHBondContact O-N 2.88Å; H438-E666 IonicContact CD2-OE1 3.34Å; H438-E666 IonicContact CD2-OE2 2.71Å; H438-E666 IonicContact CE1-OE1 3.15Å; H438-E666 PolarHBondContact CE1-OE1 3.41Å; H438-E666 VanDerWaalsContact NE2-CD 3.33Å; H438-E666 IonicContact NE2-OE1 2.77Å; H438-E666 PolarHBondContact NE2-OE1 3.48Å; H438-E666 IonicContact NE2-OE2 3.25Å; H438-E666 PolarHBondContact NE2-OE2 3.03Å; H438-G831 VanDerWaalsContact CD2-C 3.49Å; H438-R832 PolarHBondContact NE2-N 2.87Å; H438-L835 HydrophobicContact CB-CD1 4Å
439	L	96	Very high	97.3	Very high	46 Å²	46	17.5 Å²	17.5	24%	0.241	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6	175.8	-63.2	-178.1	0	0	0	115	A434 L435 L441 L835 A838 M839	A434-L439 PolarHBondContact O-N 3.41Å; L435-L439 HydrophobicContact CD2-CD1 4.46Å; L435-L439 CarbonylContact O-C 3.58Å; L435-L439 WeakPolarHBondContact O-CB 3.36Å; L439-L441 VanDerWaalsContact C-N 3.27Å; L439-L441 HydrophobicContact CB-CD1 4.24Å; L439-L441 HydrophobicContact CB-CG 4.15Å; L439-L441 HydrophobicContact CD1-CD1 4.5Å; L439-L441 PolarHBondContact O-N 3.05Å; L439-L835 HydrophobicContact CD2-CD1 3.57Å; L439-L835 HydrophobicContact CG-CD1 3.8Å; L439-A838 HydrophobicContact CD1-CB 3.63Å; L439-M839 HydrophobicContact CD1-CG 4.35Å; L439-M839 HydrophobicContact CD2-CE 3.97Å
440	K	94.8	Very high	97	Very high	125 Å²	125	19 Å²	19	54%	0.543	9%	0.09	S	C	.	.			trans	55.9	35.2	179.3	-55.1	-50.7	-168.6	-167.8	0	114.6	S345 L435 S436 A437	S345-K440 PolarHBondContact OG-NZ 2.83Å; L435-K440 PolarHBondContact O-N 3.07Å; S436-K440 WeakPolarHBondContact O-CA 3.19Å; S436-K440 PolarHBondContact O-N 3.14Å; A437-K440 WeakPolarHBondContact O-CE 3.24Å; A437-K440 PolarHBondContact O-NZ 2.8Å
441	L	95.3	Very high	96.6	Very high	34 Å²	34	19.7 Å²	19.7	18%	0.178	10%	0.095	C	C	.	.			trans	-91.2	146.4	171.3	-55.5	174.8	0	0	0	109.9	L435 S436 L439 S443 Y702 K842	L435-L441 HydrophobicContact CD2-CD1 3.96Å; L435-L441 PolarHBondContact O-N 3.45Å; S436-L441 WeakPolarHBondContact CA-O 3.36Å; L439-L441 VanDerWaalsContact C-N 3.27Å; L439-L441 HydrophobicContact CB-CD1 4.24Å; L439-L441 HydrophobicContact CB-CG 4.15Å; L439-L441 HydrophobicContact CD1-CD1 4.5Å; L439-L441 PolarHBondContact O-N 3.05Å; L441-S443 PolarHBondContact O-N 2.84Å; L441-S443 PolarHBondContact O-OG 3.12Å; L441-Y702 HydrophobicContact CB-CD2 4.47Å; L441-Y702 HydrophobicContact CD1-CD2 4.12Å; L441-Y702 HydrophobicContact CD1-CE2 3.87Å; L441-K842 HydrophobicContact CD1-CD 4.28Å
442	N	96.8	Very high	96.2	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	10%	0.104	C	C	.	.			trans	-62.7	119.9	168.9	-68.2	11.2	0	0	0	107.4	Y338 R339 P340 W341 V697 G701 Y702	Y338-N442 VanDerWaalsContact CE2-ND2 3.3Å; Y338-N442 WeakPolarHBondContact CE2-ND2 3.32Å; R339-N442 PolarHBondContact O-ND2 3.01Å; P340-N442 WeakPolarHBondContact CA-OD1 3.47Å; W341-N442 VanDerWaalsContact CD1-ND2 3.27Å; W341-N442 HydrophobicContact CD2-CB 3.84Å; W341-N442 HydrophobicContact CE3-CB 4.02Å; W341-N442 HydrophobicContact CG-CB 4.35Å; W341-N442 HydrophobicContact CH2-CB 4.4Å; W341-N442 HydrophobicContact CZ2-CB 4.22Å; W341-N442 HydrophobicContact CZ3-CB 4.3Å; W341-N442 PolarHBondContact N-OD1 3.49Å; W341-N442 PolarHBondContact NE1-ND2 3.06Å; N442-V697 HydrophobicContact CB-CB 4.11Å; N442-V697 WeakPolarHBondContact CB-O 3.41Å; N442-G701 CarbonylContact O-C 3.59Å; N442-G701 WeakPolarHBondContact O-CA 3.38Å; N442-Y702 PolarHBondContact O-N 3.44Å
443	S	97.6	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.7	-176.2	-55.9	0	0	0	0	113.8	W341 L435 L441 P669 Y702	W341-S443 WeakPolarHBondContact CZ3-O 3.46Å; L435-S443 WeakPolarHBondContact CB-OG 3.41Å; L441-S443 PolarHBondContact O-N 2.84Å; L441-S443 PolarHBondContact O-OG 3.12Å; S443-P669 WeakPolarHBondContact O-CG 3.49Å; S443-Y702 CarbonylContact C-O 3.59Å; S443-Y702 WeakPolarHBondContact CA-O 3.4Å
444	F	97.8	Very high	95.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.5	-178.3	-122.2	-71.1	0	0	0	110.4	W341 I376 V432 L661 P669 F671 A693 L696 V697 Y702 V703 V704	W341-F444 AromaticContact CH2-CD2 3.82Å; W341-F444 HydrophobicContact CH2-CD2 3.82Å; W341-F444 HydrophobicContact CH2-CE2 4.23Å; I376-F444 HydrophobicContact CD1-CE2 3.96Å; I376-F444 HydrophobicContact CD1-CZ 4Å; V432-F444 WeakPolarHBondContact CG2-O 3.35Å; F444-L661 HydrophobicContact CE1-CD1 4.03Å; F444-L661 HydrophobicContact CZ-CD1 3.89Å; F444-P669 HydrophobicContact CD1-CB 4.13Å; F444-P669 HydrophobicContact CD1-CG 4.32Å; F444-P669 HydrophobicContact CD2-CB 4.44Å; F444-P669 HydrophobicContact CD2-CG 4.12Å; F444-P669 HydrophobicContact CE1-CB 3.8Å; F444-P669 HydrophobicContact CE1-CG 4.4Å; F444-P669 HydrophobicContact CE2-CB 4.12Å; F444-P669 HydrophobicContact CE2-CG 4.19Å; F444-P669 HydrophobicContact CG-CB 4.44Å; F444-P669 HydrophobicContact CG-CG 4.18Å; F444-P669 HydrophobicContact CZ-CB 3.79Å; F444-P669 HydrophobicContact CZ-CG 4.34Å; F444-F671 AromaticContact CD1-CD2 3.9Å; F444-F671 HydrophobicContact CD1-CD2 3.9Å; F444-F671 HydrophobicContact CD1-CE2 4.35Å; F444-F671 HydrophobicContact CD1-CG 4.32Å; F444-F671 HydrophobicContact CE1-CB 4.27Å; F444-F671 HydrophobicContact CE1-CD1 4.08Å; F444-F671 AromaticContact CE1-CD2 3.38Å; F444-F671 HydrophobicContact CE1-CD2 3.38Å; F444-F671 HydrophobicContact CE1-CE1 4.29Å; F444-F671 AromaticContact CE1-CE2 3.62Å; F444-F671 HydrophobicContact CE1-CE2 3.62Å; F444-F671 AromaticContact CE1-CG 3.62Å; F444-F671 HydrophobicContact CE1-CG 3.62Å; F444-F671 HydrophobicContact CE1-CZ 4.07Å; F444-F671 HydrophobicContact CE2-CE2 4.04Å; F444-F671 HydrophobicContact CE2-CZ 4.45Å; F444-F671 HydrophobicContact CZ-CD1 4.41Å; F444-F671 AromaticContact CZ-CD2 3.76Å; F444-F671 HydrophobicContact CZ-CD2 3.76Å; F444-F671 HydrophobicContact CZ-CE1 4.15Å; F444-F671 AromaticContact CZ-CE2 3.43Å; F444-F671 HydrophobicContact CZ-CE2 3.43Å; F444-F671 VanDerWaalsContact CZ-CE2 3.43Å; F444-F671 HydrophobicContact CZ-CG 4.22Å; F444-F671 AromaticContact CZ-CZ 3.65Å; F444-F671 HydrophobicContact CZ-CZ 3.65Å; F444-A693 HydrophobicContact CB-CB 3.74Å; F444-A693 HydrophobicContact CD1-CB 4.22Å; F444-A693 HydrophobicContact CD2-CB 3.87Å; F444-A693 HydrophobicContact CG-CB 3.7Å; F444-L696 HydrophobicContact CD2-CB 4.47Å; F444-L696 HydrophobicContact CE2-CB 4.22Å; F444-L696 HydrophobicContact CE2-CD1 3.71Å; F444-L696 HydrophobicContact CZ-CD1 4.28Å; F444-V697 HydrophobicContact CB-CG1 4.03Å; F444-V697 HydrophobicContact CD2-CG1 4.13Å; F444-Y702 PolarHBondContact N-O 2.88Å; F444-V703 HydrophobicContact CB-CG2 4.27Å; F444-V704 PolarHBondContact O-N 3.22Å
445	A	98.6	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.2	160.8	0	0	0	0	0	111.5	V432 P669 V670 F671 V704	V432-A445 HydrophobicContact CB-CB 4.11Å; V432-A445 HydrophobicContact CG1-CB 3.81Å; V432-A445 HydrophobicContact CG2-CB 4.27Å; A445-P669 PolarHBondContact N-O 2.95Å; A445-V670 HydrophobicContact CB-CG1 4.15Å; A445-V670 HydrophobicContact CB-CG2 4.3Å; A445-V670 CarbonylContact O-C 3.53Å; A445-V670 WeakPolarHBondContact O-CA 3.21Å; A445-F671 PolarHBondContact O-N 2.85Å; A445-V704 CarbonylContact C-O 3.59Å; A445-V704 WeakPolarHBondContact CA-O 3.44Å
446	C	98.6	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	96.1	178.7	-65	0	0	0	0	110.5	F671 S685 D690 V703 V704 T705	C446-F671 WeakPolarHBondContact CA-O 3.47Å; C446-S685 WeakPolarHBondContact O-CB 3.35Å; C446-S685 PolarHBondContact O-OG 3.44Å; C446-S685 VanDerWaalsContact O-OG 3.09Å; C446-D690 VanDerWaalsContact CB-OD1 3.29Å; C446-D690 WeakPolarHBondContact CB-OD1 3.46Å; C446-V703 HydrophobicContact CB-CG1 4.49Å; C446-V704 PolarHBondContact N-O 3.16Å; C446-T705 PolarHBondContact O-OG1 3Å
447	L	98.1	Very high	93.6	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	162.7	-173.5	-57.5	-172.9	0	0	0	112.6	T425 T428 V429 V470 V670 F671 H673 S685 E706	T425-L447 HydrophobicContact CG2-CD1 3.95Å; T425-L447 HydrophobicContact CG2-CD2 4.13Å; T428-L447 HydrophobicContact CG2-CD2 3.69Å; V429-L447 HydrophobicContact CG2-CD1 4.03Å; L447-V470 HydrophobicContact CD1-CG2 3.58Å; L447-V670 HydrophobicContact CD1-CG1 4.03Å; L447-V670 HydrophobicContact CG-CG1 3.99Å; L447-F671 PolarHBondContact N-O 3.44Å; L447-H673 PolarHBondContact O-N 3.08Å; L447-H673 VanDerWaalsContact O-N 3.07Å; L447-S685 WeakPolarHBondContact O-CB 3.47Å; L447-E706 HydrophobicContact CD2-CG 3.92Å
448	R	96.4	Very high	92.3	Very high	70 Å²	70	32.1 Å²	32.1	26%	0.264	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-82.7	143.9	172.7	-69.4	171.1	-64.8	120.3	6.8	110.8	A674 G683 S684 E706	R448-A674 CarbonylContact C-O 3.56Å; R448-A674 WeakPolarHBondContact CA-O 3.38Å; R448-G683 WeakPolarHBondContact CD-O 3.44Å; R448-S684 VanDerWaalsContact CG-C 3.45Å; R448-E706 IonicContact CZ-OE1 2.78Å; R448-E706 IonicContact NE-OE1 2.69Å; R448-E706 PolarHBondContact NE-OE1 2.7Å; R448-E706 IonicContact NH2-OE1 2.97Å; R448-E706 PolarHBondContact NH2-OE1 2.62Å
449	Q	95.3	Very high	90.7	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.028	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-70.1	135	163.1	-171.7	-178.1	-4.1	0	0	109.3	L480 I484 V672 A674 G675	Q449-L480 HydrophobicContact CB-CD2 4.39Å; Q449-L480 HydrophobicContact CG-CD2 3.86Å; Q449-I484 HydrophobicContact CG-CD1 4.06Å; Q449-V672 HydrophobicContact CB-CG1 4.1Å; Q449-A674 PolarHBondContact N-O 3.17Å; Q449-G675 WeakPolarHBondContact O-CA 3.45Å
450	P	92.3	Very high	88.9	Confident	31 Å²	31	32.2 Å²	32.2	20%	0.201	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-73.6	157.6	171.6	32.2	-35.5	0	0	0	111.4	F476 I484	P450-F476 VanDerWaalsContact CD-CE1 3.47Å; P450-F476 WeakPolarHBondContact CD-O 3.36Å; P450-F476 HydrophobicContact CG-CD1 3.81Å; P450-F476 HydrophobicContact CG-CE1 3.71Å; P450-F476 VanDerWaalsContact CG-O 3.25Å; P450-F476 WeakPolarHBondContact CG-O 3.36Å; P450-I484 VanDerWaalsContact O-CD1 3.26Å; P450-I484 WeakPolarHBondContact O-CD1 3.44Å
451	S	91.5	Very high	87.2	Confident	14 Å²	14	28.2 Å²	28.2	10%	0.098	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-77.8	142.1	164.4	170.4	0	0	0	0	109.5	G453 P454 D573 I601	S451-G453 VanDerWaalsContact C-N 3.32Å; S451-G453 PolarHBondContact OG-N 3.15Å; S451-P454 WeakPolarHBondContact O-CD 3.44Å; S451-P454 VanDerWaalsContact OG-CD 3.26Å; S451-P454 WeakPolarHBondContact OG-CD 3.47Å; S451-D573 WeakPolarHBondContact CA-OD2 3.43Å; S451-D573 WeakPolarHBondContact CB-OD1 3.38Å; S451-D573 PolarHBondContact OG-OD1 3.03Å; S451-D573 PolarHBondContact OG-OD2 3.23Å; S451-I601 VanDerWaalsContact OG-CD1 3.31Å; S451-I601 WeakPolarHBondContact OG-CD1 3.48Å
452	Q	89	Confident	85.5	Confident	40 Å²	40	28.1 Å²	28.1	19%	0.187	16%	0.163	C	C	.	.	H	α-helix	trans	-69.4	-30.3	174.6	-172.1	-179.8	-32.6	0	0	111.6	T455 F456 H479 D573	Q452-T455 VanDerWaalsContact O-CB 3.29Å; Q452-T455 WeakPolarHBondContact O-CB 3.5Å; Q452-T455 PolarHBondContact O-N 2.85Å; Q452-F456 HydrophobicContact CG-CD2 4.13Å; Q452-F456 HydrophobicContact CG-CE2 3.67Å; Q452-F456 WeakPolarHBondContact O-CD2 3.43Å; Q452-H479 PolarHBondContact OE1-CE1 3.32Å; Q452-H479 VanDerWaalsContact OE1-CE1 3.23Å; Q452-H479 PolarHBondContact OE1-ND1 2.97Å; Q452-D573 WeakPolarHBondContact CB-OD2 3.31Å; Q452-D573 PolarHBondContact N-OD2 2.85Å
453	G	87.2	Confident	84.7	Confident	4 Å²	4	28 Å²	28	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-51.3	-175.9	0	0	0	0	0	114.6	S451 T455 G457 D573 N575	S451-G453 VanDerWaalsContact C-N 3.32Å; S451-G453 PolarHBondContact OG-N 3.15Å; G453-T455 VanDerWaalsContact C-N 3.3Å; G453-T455 PolarHBondContact O-N 3.25Å; G453-G457 PolarHBondContact O-N 2.95Å; G453-D573 VanDerWaalsContact CA-O 3.22Å; G453-D573 WeakPolarHBondContact CA-O 3.45Å; G453-D573 PolarHBondContact N-O 3.42Å; G453-N575 VanDerWaalsContact C-ND2 3.31Å; G453-N575 PolarHBondContact O-ND2 2.75Å
454	P	87.4	Confident	84.3	Confident	56 Å²	56	28.5 Å²	28.5	36%	0.364	17%	0.168	S	C	.	.	H	α-helix	trans	-54.6	-36.9	173.6	-30.5	37.2	0	0	0	115.2	S451 F456 G457 V458	S451-P454 WeakPolarHBondContact O-CD 3.44Å; S451-P454 VanDerWaalsContact OG-CD 3.26Å; S451-P454 WeakPolarHBondContact OG-CD 3.47Å; P454-F456 PolarHBondContact O-N 3.49Å; P454-G457 WeakPolarHBondContact O-CA 3.25Å; P454-G457 PolarHBondContact O-N 3.07Å; P454-V458 PolarHBondContact O-N 3.15Å
455	T	87.3	Confident	84.1	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-56.7	-46.2	-176.6	-55.8	0	0	0	0	112.1	Q452 G453 G457 L973	Q452-T455 VanDerWaalsContact O-CB 3.29Å; Q452-T455 WeakPolarHBondContact O-CB 3.5Å; Q452-T455 PolarHBondContact O-N 2.85Å; G453-T455 VanDerWaalsContact C-N 3.3Å; G453-T455 PolarHBondContact O-N 3.25Å; T455-G457 VanDerWaalsContact C-N 3.28Å; T455-G457 PolarHBondContact O-N 3.12Å; T455-L973 HydrophobicContact CG2-CD1 3.44Å; T455-L973 VanDerWaalsContact CG2-CD1 3.44Å; T455-L973 HydrophobicContact CG2-CG 4.06Å
456	F	89.2	Confident	84	Confident	62 Å²	62	28.6 Å²	28.6	27%	0.272	17%	0.169	S	C	.	.	H	α-helix	trans	-80.6	-8	176.4	-63.6	-86.6	0	0	0	113.4	Q452 P454 L478 P956 C957 F958 I961	Q452-F456 HydrophobicContact CG-CD2 4.13Å; Q452-F456 HydrophobicContact CG-CE2 3.67Å; Q452-F456 WeakPolarHBondContact O-CD2 3.43Å; P454-F456 PolarHBondContact O-N 3.49Å; F456-L478 HydrophobicContact CE2-CD2 3.95Å; F456-L478 HydrophobicContact CZ-CD2 3.92Å; F456-P956 WeakPolarHBondContact O-CB 3.29Å; F456-C957 PolarHBondContact O-N 3.24Å; F456-F958 HydrophobicContact CB-CB 4.47Å; F456-F958 HydrophobicContact CB-CD1 4.4Å; F456-F958 HydrophobicContact CD1-CB 4.18Å; F456-F958 WeakPolarHBondContact O-CD1 3.32Å; F456-F958 PolarHBondContact O-N 3.44Å; F456-I961 HydrophobicContact CD1-CD1 3.86Å; F456-I961 HydrophobicContact CE1-CD1 4.14Å; F456-I961 HydrophobicContact CE1-CG2 4.47Å
457	G	85.2	Confident	83.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-94.4	-71.2	-174.9	0	0	0	0	0	114.2	G453 P454 T455 P953 P956 C957	G453-G457 PolarHBondContact O-N 2.95Å; P454-G457 WeakPolarHBondContact O-CA 3.25Å; P454-G457 PolarHBondContact O-N 3.07Å; T455-G457 VanDerWaalsContact C-N 3.28Å; T455-G457 PolarHBondContact O-N 3.12Å; G457-P953 WeakPolarHBondContact O-CD 3.41Å; G457-P953 VanDerWaalsContact O-CG 3.31Å; G457-P953 WeakPolarHBondContact O-CG 3.37Å; G457-P956 WeakPolarHBondContact O-CA 3.21Å; G457-C957 PolarHBondContact O-N 2.96Å
458	V	67.6	Low	83.9	Confident	110 Å²	110	29.1 Å²	29.1	67%	0.667	17%	0.171	S	C	*	.	H	α-helix	trans	-125.2	12.5	-167.7	-154.6	0	0	0	0	112.3	P454 P953 C957	P454-V458 PolarHBondContact O-N 3.15Å; V458-P953 HydrophobicContact CG2-CG 4.37Å; V458-C957 VanDerWaalsContact C-SG 3.51Å
459	K	62.3	Low	83.9	Confident	105 Å²	105	25.8 Å²	25.8	46%	0.457	16%	0.158	S	C	.	.			trans	108.9	142.8	176.4	-161.6	166.2	-175.6	176.1	0	113.8	C957 F974	K459-C957 VanDerWaalsContact CA-SG 3.58Å; K459-C957 PolarHBondContact N-SG 3.16Å; K459-F974 WeakPolarHBondContact CE-O 3.12Å; K459-F974 WeakPolarHBondContact CE-OXT 3.2Å; K459-F974 PolarHBondContact NZ-O 2.98Å; K459-F974 PolarHBondContact NZ-OXT 3.37Å
460	G	59.8	Low	83.9	Confident	12 Å²	12	25.5 Å²	25.5	12%	0.124	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-62.6	142.8	175.7	0	0	0	0	0	112.5	L973	G460-L973 PolarHBondContact N-O 3.26Å
461	G	58.2	Low	84.1	Confident	40 Å²	40	24.1 Å²	24.1	41%	0.412	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-90.2	126.4	-178.7	0	0	0	0	0	111.8	N477	G461-N477 PolarHBondContact N-OD1 2.86Å; G461-N477 VanDerWaalsContact O-CG 3.29Å; G461-N477 PolarHBondContact O-ND2 2.93Å; G461-N477 PolarHBondContact O-OD1 3.4Å
462	A	60.3	Low	84.2	Confident	33 Å²	33	24.2 Å²	24.2	27%	0.273	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-61.6	141.3	169.6	0	0	0	0	0	111	D357 G464 M473	D357-A462 HydrophobicContact CB-CB 4.36Å; D357-A462 WeakPolarHBondContact OD2-CB 3.3Å; A462-G464 PolarHBondContact O-N 3.36Å; A462-M473 HydrophobicContact CB-CE 3.78Å; A462-M473 HydrophobicContact CB-SD 3.75Å
463	A	78.7	Confident	84.3	Confident	2 Å²	2	22.4 Å²	22.4	2%	0.017	14%	0.14	C	C	.	.	S	Bend	trans	-78.2	49.6	176.9	0	0	0	0	0	111.3	Q469 V470 F476	A463-Q469 VanDerWaalsContact O-CA 3.31Å; A463-Q469 WeakPolarHBondContact O-CA 3.48Å; A463-V470 HydrophobicContact CB-CB 3.69Å; A463-V470 HydrophobicContact CB-CG2 3.98Å; A463-V470 PolarHBondContact O-N 3.06Å; A463-F476 HydrophobicContact CB-CD1 3.63Å; A463-F476 HydrophobicContact CB-CD2 3.81Å; A463-F476 HydrophobicContact CB-CE1 3.57Å; A463-F476 HydrophobicContact CB-CE2 3.77Å; A463-F476 HydrophobicContact CB-CG 3.75Å; A463-F476 HydrophobicContact CB-CZ 3.66Å
464	G	90.6	Very high	84.4	Confident	10 Å²	10	23.9 Å²	23.9	10%	0.103	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.4	-116.9	-161.4	0	0	0	0	0	110.7	T426 A462 A468	T426-G464 PolarHBondContact OG1-O 3.18Å; T426-G464 VanDerWaalsContact OG1-O 3.04Å; A462-G464 PolarHBondContact O-N 3.36Å; G464-A468 CarbonylContact C-O 3.53Å; G464-A468 VanDerWaalsContact CA-O 3.28Å; G464-A468 WeakPolarHBondContact CA-O 3.23Å
465	G	93.4	Very high	84.6	Confident	2 Å²	2	23.5 Å²	23.5	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.2	153.6	169	0	0	0	0	0	113.4	D357 T426 Y467 A468 W827	D357-G465 VanDerWaalsContact OD2-CA 3.29Å; D357-G465 WeakPolarHBondContact OD2-CA 3.14Å; T426-G465 WeakPolarHBondContact CG2-O 3.41Å; G465-Y467 PolarHBondContact O-N 3.45Å; G465-A468 PolarHBondContact N-O 2.9Å; G465-A468 CarbonylContact O-C 3.46Å; G465-A468 PolarHBondContact O-N 3.05Å; G465-W827 VanDerWaalsContact C-CD1 3.42Å
466	G	95.3	Very high	84.8	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-126.4	-177.5	0	0	0	0	0	111.9	D357 A468 Q469	D357-G466 VanDerWaalsContact CG-N 3.29Å; D357-G466 WeakPolarHBondContact OD1-CA 3.42Å; D357-G466 PolarHBondContact OD1-N 3.34Å; G466-A468 VanDerWaalsContact C-N 3.28Å; G466-A468 PolarHBondContact O-N 3.32Å; G466-Q469 WeakPolarHBondContact O-CG 3.21Å; G466-Q469 PolarHBondContact O-NE2 2.87Å
467	Y	97.7	Very high	84.8	Confident	12 Å²	12	21.1 Å²	21.1	5%	0.047	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	7.4	177.3	-74.3	-64.6	0	0	0	115.2	L348 P350 L351 V354 P355 I360 Q433 G465 L665 W827 G830	L348-Y467 HydrophobicContact CD1-CD1 4.06Å; L348-Y467 HydrophobicContact CD2-CD1 4.09Å; L348-Y467 HydrophobicContact CD2-CG 4.35Å; L348-Y467 HydrophobicContact CG-CD1 4.12Å; P350-Y467 HydrophobicContact CB-CD2 3.99Å; P350-Y467 HydrophobicContact CB-CE2 3.89Å; P350-Y467 HydrophobicContact CB-CG 4.43Å; L351-Y467 PolarHBondContact N-OH 3.19Å; V354-Y467 HydrophobicContact CB-CE2 4.48Å; V354-Y467 HydrophobicContact CG1-CD2 4.07Å; V354-Y467 HydrophobicContact CG1-CE2 3.84Å; V354-Y467 HydrophobicContact CG2-CE2 4.3Å; P355-Y467 WeakPolarHBondContact CD-OH 3.49Å; I360-Y467 HydrophobicContact CB-CE1 4.46Å; I360-Y467 HydrophobicContact CD1-CD1 4.37Å; I360-Y467 HydrophobicContact CD1-CD2 4.28Å; I360-Y467 HydrophobicContact CD1-CE1 4.12Å; I360-Y467 HydrophobicContact CD1-CE2 4.04Å; I360-Y467 HydrophobicContact CD1-CG 4.44Å; I360-Y467 HydrophobicContact CG1-CE1 4.02Å; I360-Y467 HydrophobicContact CG2-CD1 3.65Å; I360-Y467 HydrophobicContact CG2-CE1 3.62Å; Q433-Y467 PolarHBondContact NE2-O 3.18Å; G465-Y467 PolarHBondContact O-N 3.45Å; Y467-L665 VanDerWaalsContact C-CD1 3.48Å; Y467-L665 HydrophobicContact CD1-CD1 4.49Å; Y467-L665 WeakPolarHBondContact O-CD1 3.47Å; Y467-W827 PolarHBondContact N-O 3.04Å; Y467-G830 VanDerWaalsContact O-CA 3.3Å; Y467-G830 WeakPolarHBondContact O-CA 3.47Å
468	A	97.6	Very high	85.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	75.9	177.2	0	0	0	0	0	110.7	T426 V429 G464 G465 G466 H826	T426-A468 HydrophobicContact CG2-CB 4.25Å; V429-A468 HydrophobicContact CG1-CB 4.38Å; G464-A468 CarbonylContact C-O 3.53Å; G464-A468 VanDerWaalsContact CA-O 3.28Å; G464-A468 WeakPolarHBondContact CA-O 3.23Å; G465-A468 PolarHBondContact N-O 2.9Å; G465-A468 CarbonylContact O-C 3.46Å; G465-A468 PolarHBondContact O-N 3.05Å; G466-A468 VanDerWaalsContact C-N 3.28Å; G466-A468 PolarHBondContact O-N 3.32Å; A468-H826 HydrophobicContact CB-CB 4.16Å
469	Q	95.5	Very high	86.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.6	-178.4	55.2	170.3	-56.7	0	0	112.9	D357 A463 G466 I471 M473 T664 L665	D357-Q469 PolarHBondContact O-NE2 3.44Å; A463-Q469 VanDerWaalsContact O-CA 3.31Å; A463-Q469 WeakPolarHBondContact O-CA 3.48Å; G466-Q469 WeakPolarHBondContact O-CG 3.21Å; G466-Q469 PolarHBondContact O-NE2 2.87Å; Q469-I471 HydrophobicContact CG-CG2 4.43Å; Q469-M473 PolarHBondContact OE1-SD 2.81Å; Q469-M473 VanDerWaalsContact OE1-SD 3.33Å; Q469-T664 WeakPolarHBondContact O-CA 3.48Å; Q469-L665 HydrophobicContact CG-CD1 3.47Å; Q469-L665 VanDerWaalsContact CG-CD1 3.47Å; Q469-L665 HydrophobicContact CG-CD2 4.46Å; Q469-L665 HydrophobicContact CG-CG 3.82Å; Q469-L665 PolarHBondContact O-N 2.89Å; Q469-L665 VanDerWaalsContact O-N 3.13Å
470	V	97.1	Very high	87.9	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.6	168.7	-167	0	0	0	0	110.2	V429 L447 A463 F476 M662 Q663 V670	V429-V470 HydrophobicContact CG2-CG2 4.12Å; L447-V470 HydrophobicContact CD1-CG2 3.58Å; A463-V470 HydrophobicContact CB-CB 3.69Å; A463-V470 HydrophobicContact CB-CG2 3.98Å; A463-V470 PolarHBondContact O-N 3.06Å; V470-F476 HydrophobicContact CB-CD2 4.33Å; V470-F476 HydrophobicContact CB-CE2 4.48Å; V470-F476 HydrophobicContact CG1-CD2 4.32Å; V470-F476 HydrophobicContact CG2-CE2 4.48Å; V470-M662 HydrophobicContact CG1-CB 3.78Å; V470-M662 HydrophobicContact CG1-CE 4.48Å; V470-M662 HydrophobicContact CG1-SD 4.39Å; V470-Q663 WeakPolarHBondContact CA-O 3.36Å; V470-Q663 VanDerWaalsContact CG1-O 3.3Å; V470-Q663 WeakPolarHBondContact CG1-O 2.88Å; V470-V670 HydrophobicContact CG1-CB 4.29Å; V470-V670 HydrophobicContact CG1-CG1 4.4Å; V470-V670 HydrophobicContact CG1-CG2 4.34Å; V470-V670 HydrophobicContact CG2-CB 4.43Å; V470-V670 HydrophobicContact CG2-CG1 3.97Å; V470-V670 HydrophobicContact CG2-CG2 4.12Å
471	I	95.5	Very high	89.7	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.1	-178.8	59.2	164.3	0	0	0	112.6	Q364 P366 Q469 Q663 L665	Q364-I471 HydrophobicContact CB-CD1 4.25Å; Q364-I471 HydrophobicContact CG-CD1 3.92Å; P366-I471 HydrophobicContact CB-CD1 3.96Å; P366-I471 HydrophobicContact CB-CG1 4.43Å; Q469-I471 HydrophobicContact CG-CG2 4.43Å; I471-Q663 HydrophobicContact CG1-CG 4.15Å; I471-Q663 PolarHBondContact N-O 2.89Å; I471-L665 HydrophobicContact CD1-CD2 4.34Å; I471-L665 HydrophobicContact CG2-CD2 3.63Å; I471-L665 HydrophobicContact CG2-CG 4.04Å
472	P	94.4	Very high	91.5	Very high	17 Å²	17	17.4 Å²	17.4	11%	0.11	10%	0.1	C	C	.	.			cis	-75	138.8	-7.4	-22.4	38.5	0	0	0	113.5	P366 N389 E474 E475 F476	P366-P472 HydrophobicContact CG-CG 4.35Å; N389-P472 HydrophobicContact CB-CG 4.17Å; P472-E474 VanDerWaalsContact C-N 3.32Å; P472-E474 PolarHBondContact O-N 3.35Å; P472-E475 HydrophobicContact CB-CB 4.5Å; P472-E475 HydrophobicContact CB-CG 4.22Å; P472-E475 HydrophobicContact CG-CG 4.48Å; P472-E475 WeakPolarHBondContact CG-OE1 3.45Å; P472-E475 PolarHBondContact O-N 3.34Å; P472-F476 PolarHBondContact O-N 3.02Å
473	M	90.9	Very high	93.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-70.2	-25.2	-172.4	-172.8	158.3	123.8	0	0	113.9	D357 S361 A462 Q469 N477 F974	D357-M473 HydrophobicContact CB-CE 3.92Å; D357-M473 HydrophobicContact CB-SD 4.21Å; S361-M473 PolarHBondContact OG-N 3.24Å; A462-M473 HydrophobicContact CB-CE 3.78Å; A462-M473 HydrophobicContact CB-SD 3.75Å; Q469-M473 PolarHBondContact OE1-SD 2.81Å; Q469-M473 VanDerWaalsContact OE1-SD 3.33Å; M473-N477 PolarHBondContact O-N 3.05Å; M473-N477 PolarHBondContact O-ND2 3.11Å; M473-F974 HydrophobicContact CB-CE2 4.47Å; M473-F974 HydrophobicContact CE-CB 3.8Å; M473-F974 HydrophobicContact CE-CD1 3.32Å; M473-F974 HydrophobicContact CE-CD2 3.85Å; M473-F974 HydrophobicContact CE-CE1 3.74Å; M473-F974 HydrophobicContact CE-CE2 4.2Å; M473-F974 HydrophobicContact CE-CG 3.38Å; M473-F974 HydrophobicContact CE-CZ 4.16Å; M473-F974 HydrophobicContact CG-CE1 4.16Å; M473-F974 HydrophobicContact CG-CE2 4.08Å; M473-F974 HydrophobicContact CG-CZ 3.85Å; M473-F974 WeakPolarHBondContact O-CZ 3.5Å
474	E	89.4	Confident	94.3	Very high	35 Å²	35	16 Å²	16	16%	0.164	9%	0.088	C	C	.	.	H	α-helix	trans	-70.8	-48.4	174.7	-65.4	158.1	123.5	0	0	111.3	I358 R362 P472 F476 N477 L478 I970 L973 F974	I358-E474 HydrophobicContact CD1-CG 4.05Å; R362-E474 IonicContact CZ-OE1 2.77Å; R362-E474 IonicContact NE-OE1 3.2Å; R362-E474 IonicContact NE-OE2 2.77Å; R362-E474 IonicContact NH2-OE1 3.46Å; R362-E474 PolarHBondContact NH2-OE1 3Å; P472-E474 VanDerWaalsContact C-N 3.32Å; P472-E474 PolarHBondContact O-N 3.35Å; E474-F476 PolarHBondContact O-N 2.85Å; E474-N477 PolarHBondContact O-N 2.83Å; E474-L478 PolarHBondContact O-N 2.86Å; E474-I970 HydrophobicContact CB-CD1 4.24Å; E474-I970 HydrophobicContact CG-CD1 4.25Å; E474-L973 HydrophobicContact CG-CD2 4.48Å; E474-F974 HydrophobicContact CG-CE2 3.77Å
475	E	91.3	Very high	94.6	Very high	48 Å²	48	19.6 Å²	19.6	22%	0.224	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-31.8	176.1	-64.8	-169.2	-122.2	0	0	112.1	N389 K390 P472 L480 M662	N389-E475 WeakPolarHBondContact CB-OE1 3.48Å; N389-E475 PolarHBondContact ND2-OE1 2.65Å; K390-E475 HydrophobicContact CD-CB 4.42Å; K390-E475 VanDerWaalsContact CD-OE2 3.27Å; K390-E475 WeakPolarHBondContact CD-OE2 3.46Å; K390-E475 WeakPolarHBondContact CE-OE2 3.34Å; K390-E475 IonicContact NZ-OE2 3.44Å; K390-E475 PolarHBondContact NZ-OE2 3.02Å; P472-E475 HydrophobicContact CB-CB 4.5Å; P472-E475 HydrophobicContact CB-CG 4.22Å; P472-E475 HydrophobicContact CG-CG 4.48Å; P472-E475 WeakPolarHBondContact CG-OE1 3.45Å; P472-E475 PolarHBondContact O-N 3.34Å; E475-L480 WeakPolarHBondContact O-CA 3.15Å; E475-L480 PolarHBondContact O-N 3.23Å; E475-M662 HydrophobicContact CB-CE 4.33Å
476	F	91.3	Very high	94.9	Very high	11 Å²	11	20.5 Å²	20.5	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-36	178.1	-175.9	-83.9	0	0	0	113.8	P450 A463 V470 P472 E474 M662 V672	P450-F476 VanDerWaalsContact CD-CE1 3.47Å; P450-F476 WeakPolarHBondContact CD-O 3.36Å; P450-F476 HydrophobicContact CG-CD1 3.81Å; P450-F476 HydrophobicContact CG-CE1 3.71Å; P450-F476 VanDerWaalsContact CG-O 3.25Å; P450-F476 WeakPolarHBondContact CG-O 3.36Å; A463-F476 HydrophobicContact CB-CD1 3.63Å; A463-F476 HydrophobicContact CB-CD2 3.81Å; A463-F476 HydrophobicContact CB-CE1 3.57Å; A463-F476 HydrophobicContact CB-CE2 3.77Å; A463-F476 HydrophobicContact CB-CG 3.75Å; A463-F476 HydrophobicContact CB-CZ 3.66Å; V470-F476 HydrophobicContact CB-CD2 4.33Å; V470-F476 HydrophobicContact CB-CE2 4.48Å; V470-F476 HydrophobicContact CG1-CD2 4.32Å; V470-F476 HydrophobicContact CG2-CE2 4.48Å; P472-F476 PolarHBondContact O-N 3.02Å; E474-F476 PolarHBondContact O-N 2.85Å; F476-M662 HydrophobicContact CB-CE 4.37Å; F476-M662 HydrophobicContact CD2-SD 4.14Å; F476-V672 HydrophobicContact CD2-CG1 4.09Å; F476-V672 HydrophobicContact CD2-CG2 3.86Å; F476-V672 HydrophobicContact CE2-CB 4.28Å; F476-V672 HydrophobicContact CE2-CG1 3.63Å; F476-V672 HydrophobicContact CE2-CG2 3.58Å; F476-V672 HydrophobicContact CZ-CG1 4.26Å
477	N	89.2	Confident	95	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-98	-9.5	-169.2	-85.7	-78.5	0	0	0	115.7	G461 M473 E474 F974	G461-N477 PolarHBondContact N-OD1 2.86Å; G461-N477 VanDerWaalsContact O-CG 3.29Å; G461-N477 PolarHBondContact O-ND2 2.93Å; G461-N477 PolarHBondContact O-OD1 3.4Å; M473-N477 PolarHBondContact O-N 3.05Å; M473-N477 PolarHBondContact O-ND2 3.11Å; E474-N477 PolarHBondContact O-N 2.83Å; N477-F974 HydrophobicContact CB-CE1 4.02Å; N477-F974 HydrophobicContact CB-CZ 3.84Å; N477-F974 WeakPolarHBondContact ND2-CE1 3.26Å
478	L	90.6	Very high	95.1	Very high	36 Å²	36	21.2 Å²	21.2	19%	0.188	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-126.7	177.9	-60.5	176.7	0	0	0	109.6	F456 E474 L480 I970 L973	F456-L478 HydrophobicContact CE2-CD2 3.95Å; F456-L478 HydrophobicContact CZ-CD2 3.92Å; E474-L478 PolarHBondContact O-N 2.86Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-L480 PolarHBondContact O-N 3.22Å; L478-I970 HydrophobicContact CD1-CD1 3.79Å; L478-L973 HydrophobicContact CD1-CD2 4.27Å; L478-L973 HydrophobicContact CD2-CD2 4.39Å; L478-L973 HydrophobicContact CG-CD2 4.35Å
479	H	94.1	Very high	95.1	Very high	104 Å²	104	23.3 Å²	23.3	48%	0.481	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.5	-169.8	-49.8	-35.1	0	0	0	114.6	Q452 T481 G482 H485	Q452-H479 PolarHBondContact OE1-CE1 3.32Å; Q452-H479 VanDerWaalsContact OE1-CE1 3.23Å; Q452-H479 PolarHBondContact OE1-ND1 2.97Å; H479-T481 PolarHBondContact O-N 3.32Å; H479-G482 PolarHBondContact O-N 3.13Å; H479-H485 AromaticContact CG-NE2 3.67Å; H479-H485 AromaticContact ND1-CE1 3.94Å; H479-H485 AromaticContact ND1-NE2 3.43Å; H479-H485 PolarHBondContact ND1-NE2 3.02Å
480	L	95.1	Very high	95.3	Very high	13 Å²	13	23.3 Å²	23.3	7%	0.068	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	-99.2	-172.8	-172.5	69.5	0	0	0	112.4	K390 Q449 E475 L478 T660 M662 V672	K390-L480 HydrophobicContact CD-CD1 4.07Å; K390-L480 WeakPolarHBondContact CE-O 3.25Å; Q449-L480 HydrophobicContact CB-CD2 4.39Å; Q449-L480 HydrophobicContact CG-CD2 3.86Å; E475-L480 WeakPolarHBondContact O-CA 3.15Å; E475-L480 PolarHBondContact O-N 3.23Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-L480 PolarHBondContact O-N 3.22Å; L480-T660 HydrophobicContact CD1-CG2 4.07Å; L480-T660 HydrophobicContact CD2-CG2 4.33Å; L480-T660 HydrophobicContact CG-CG2 4.15Å; L480-M662 HydrophobicContact CD1-SD 3.53Å; L480-M662 VanDerWaalsContact CD1-SD 3.53Å; L480-V672 HydrophobicContact CD2-CB 4.12Å; L480-V672 HydrophobicContact CD2-CG1 3.76Å
481	T	97.1	Very high	95.4	Very high	14 Å²	14	23.5 Å²	23.5	9%	0.086	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	6.2	-179.3	41.4	0	0	0	0	113.6	Y386 K392 H479 D483 T660	Y386-T481 HydrophobicContact CD1-CG2 3.76Å; Y386-T481 HydrophobicContact CD2-CG2 4.1Å; Y386-T481 HydrophobicContact CE1-CG2 4.08Å; Y386-T481 WeakPolarHBondContact CE1-O 3.37Å; Y386-T481 HydrophobicContact CE2-CG2 4.43Å; Y386-T481 HydrophobicContact CG-CG2 3.76Å; K392-T481 HydrophobicContact CD-CG2 4.2Å; K392-T481 WeakPolarHBondContact CE-OG1 3.32Å; K392-T481 HydrophobicContact CG-CG2 4.41Å; K392-T481 PolarHBondContact NZ-OG1 2.87Å; K392-T481 VanDerWaalsContact NZ-OG1 3.11Å; H479-T481 PolarHBondContact O-N 3.32Å; T481-D483 WeakPolarHBondContact CB-OD1 3.45Å; T481-D483 PolarHBondContact OG1-OD1 3.13Å; T481-T660 HydrophobicContact CG2-CG2 3.54Å; T481-T660 PolarHBondContact OG1-OG1 3.31Å
482	G	97.6	Very high	95.5	Very high	23 Å²	23	25.3 Å²	25.3	24%	0.237	14%	0.142	C	C	.	.	S	Bend	trans	91.9	3.3	177.5	0	0	0	0	0	115.7	H479 I484 H485 A486	H479-G482 PolarHBondContact O-N 3.13Å; G482-I484 VanDerWaalsContact C-N 3.35Å; G482-I484 PolarHBondContact O-N 3.32Å; G482-H485 WeakPolarHBondContact O-CA 3.48Å; G482-H485 VanDerWaalsContact O-CB 3.31Å; G482-H485 WeakPolarHBondContact O-CB 3.44Å; G482-H485 PolarHBondContact O-N 3.49Å; G482-A486 PolarHBondContact O-N 3.26Å
483	D	98.4	Very high	95.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-55.5	-45	-172.7	-51.9	17.2	0	0	0	112.9	K392 T481 H485 A486 I487 A656 H673	K392-D483 WeakPolarHBondContact CE-OD1 3.26Å; K392-D483 IonicContact NZ-OD1 3.17Å; K392-D483 PolarHBondContact NZ-OD1 2.76Å; K392-D483 IonicContact NZ-OD2 3.17Å; K392-D483 PolarHBondContact NZ-OD2 2.91Å; T481-D483 WeakPolarHBondContact CB-OD1 3.45Å; T481-D483 PolarHBondContact OG1-OD1 3.13Å; D483-H485 VanDerWaalsContact C-N 3.3Å; D483-H485 PolarHBondContact O-N 2.9Å; D483-A486 WeakPolarHBondContact O-CB 3.23Å; D483-A486 PolarHBondContact O-N 3.03Å; D483-I487 WeakPolarHBondContact O-CG1 3.32Å; D483-I487 PolarHBondContact O-N 3.3Å; D483-A656 HydrophobicContact CB-CB 4.3Å; D483-H673 IonicContact OD2-CD2 3.61Å; D483-H673 PolarHBondContact OD2-CD2 3.41Å; D483-H673 IonicContact OD2-NE2 3.36Å
484	I	97.9	Very high	96.1	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-69.3	-29.7	178.3	-60.1	174.7	0	0	0	111.5	Q449 P450 G482 T488 D573 A602 V603 M608	Q449-I484 HydrophobicContact CG-CD1 4.06Å; P450-I484 VanDerWaalsContact O-CD1 3.26Å; P450-I484 WeakPolarHBondContact O-CD1 3.44Å; G482-I484 VanDerWaalsContact C-N 3.35Å; G482-I484 PolarHBondContact O-N 3.32Å; I484-T488 WeakPolarHBondContact O-CB 3.3Å; I484-T488 PolarHBondContact O-N 2.92Å; I484-T488 PolarHBondContact O-OG1 2.94Å; I484-D573 HydrophobicContact CG2-CB 3.81Å; I484-A602 HydrophobicContact CG2-CB 3.54Å; I484-V603 HydrophobicContact CD1-CG1 3.77Å; I484-V603 HydrophobicContact CG1-CG1 4.3Å; I484-V603 HydrophobicContact CG2-CG1 4.48Å; I484-M608 HydrophobicContact CD1-CE 4.44Å; I484-M608 HydrophobicContact CG1-CE 3.86Å
485	H	98.3	Very high	96.5	Very high	85 Å²	85	25.9 Å²	25.9	39%	0.394	15%	0.145	S	C	.	.	H	α-helix	trans	-70.1	-39.2	173.1	-57.2	-36.6	0	0	0	111.1	H479 G482 D483 T488 A489	H479-H485 AromaticContact CG-NE2 3.67Å; H479-H485 AromaticContact ND1-CE1 3.94Å; H479-H485 AromaticContact ND1-NE2 3.43Å; H479-H485 PolarHBondContact ND1-NE2 3.02Å; G482-H485 WeakPolarHBondContact O-CA 3.48Å; G482-H485 VanDerWaalsContact O-CB 3.31Å; G482-H485 WeakPolarHBondContact O-CB 3.44Å; G482-H485 PolarHBondContact O-N 3.49Å; D483-H485 VanDerWaalsContact C-N 3.3Å; D483-H485 PolarHBondContact O-N 2.9Å; H485-T488 PolarHBondContact O-N 2.94Å; H485-A489 WeakPolarHBondContact O-CB 3.35Å; H485-A489 PolarHBondContact O-N 2.77Å
486	A	98.6	Very high	96.9	Very high	20 Å²	20	25.7 Å²	25.7	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-43.6	173.1	0	0	0	0	0	112.1	G482 D483 T488 A489 A490 M653 A656	G482-A486 PolarHBondContact O-N 3.26Å; D483-A486 WeakPolarHBondContact O-CB 3.23Å; D483-A486 PolarHBondContact O-N 3.03Å; A486-T488 VanDerWaalsContact C-N 3.34Å; A486-T488 PolarHBondContact O-N 3.35Å; A486-A489 PolarHBondContact O-N 3.32Å; A486-A490 WeakPolarHBondContact O-CB 3.3Å; A486-A490 PolarHBondContact O-N 3.39Å; A486-M653 HydrophobicContact CB-SD 4.19Å; A486-A656 HydrophobicContact CB-CB 3.7Å
487	I	98.6	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-45.8	172.5	-69.2	165.4	0	0	0	110.6	D483 A489 A490 N491 I607 M608 L611 M653	D483-I487 WeakPolarHBondContact O-CG1 3.32Å; D483-I487 PolarHBondContact O-N 3.3Å; I487-A489 PolarHBondContact O-N 2.98Å; I487-A490 PolarHBondContact O-N 3.42Å; I487-N491 VanDerWaalsContact O-CB 3.23Å; I487-N491 WeakPolarHBondContact O-CB 3.47Å; I487-N491 PolarHBondContact O-N 3.09Å; I487-I607 HydrophobicContact CG1-CG2 4.24Å; I487-I607 HydrophobicContact CG2-CB 4.29Å; I487-I607 HydrophobicContact CG2-CG2 4.35Å; I487-M608 HydrophobicContact CD1-CB 4.08Å; I487-M608 HydrophobicContact CD1-CE 3.39Å; I487-M608 HydrophobicContact CD1-CG 4.39Å; I487-M608 HydrophobicContact CD1-SD 3.52Å; I487-M608 VanDerWaalsContact CD1-SD 3.52Å; I487-M608 HydrophobicContact CG2-CB 4.47Å; I487-L611 HydrophobicContact CD1-CD2 3.91Å; I487-M653 HydrophobicContact CD1-CE 4.46Å; I487-M653 HydrophobicContact CG1-CE 3.66Å; I487-M653 HydrophobicContact CG1-SD 3.85Å
488	T	98.7	Very high	97.6	Very high	27 Å²	27	26 Å²	26	17%	0.166	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-45.9	178.6	-60.9	0	0	0	0	111.3	I484 H485 A486 N492 V571 A602	I484-T488 WeakPolarHBondContact O-CB 3.3Å; I484-T488 PolarHBondContact O-N 2.92Å; I484-T488 PolarHBondContact O-OG1 2.94Å; H485-T488 PolarHBondContact O-N 2.94Å; A486-T488 VanDerWaalsContact C-N 3.34Å; A486-T488 PolarHBondContact O-N 3.35Å; T488-N492 VanDerWaalsContact O-CB 3.27Å; T488-N492 WeakPolarHBondContact O-CB 3.33Å; T488-N492 VanDerWaalsContact O-CG 3.25Å; T488-N492 PolarHBondContact O-N 2.77Å; T488-N492 PolarHBondContact O-ND2 3.46Å; T488-V571 HydrophobicContact CG2-CG2 4.3Å; T488-A602 WeakPolarHBondContact OG1-CB 3.41Å
489	A	98.8	Very high	97.8	Very high	45 Å²	45	26.1 Å²	26.1	37%	0.372	16%	0.158	S	C	.	.	H	α-helix	trans	-62.7	-46	176.3	0	0	0	0	0	112.1	H485 A486 I487 L493 L652	H485-A489 WeakPolarHBondContact O-CB 3.35Å; H485-A489 PolarHBondContact O-N 2.77Å; A486-A489 PolarHBondContact O-N 3.32Å; I487-A489 PolarHBondContact O-N 2.98Å; A489-L493 VanDerWaalsContact O-CB 3.28Å; A489-L493 WeakPolarHBondContact O-CB 3.36Å; A489-L493 PolarHBondContact O-N 2.53Å; A489-L652 HydrophobicContact CB-CD1 4.36Å; A489-L652 HydrophobicContact CB-CD2 4.44Å
490	A	98.8	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-46.9	179.4	0	0	0	0	0	112	A486 I487 N492 L493 L494 I607 L649 L652 M653	A486-A490 WeakPolarHBondContact O-CB 3.3Å; A486-A490 PolarHBondContact O-N 3.39Å; I487-A490 PolarHBondContact O-N 3.42Å; A490-N492 VanDerWaalsContact C-N 3.32Å; A490-N492 PolarHBondContact O-N 2.7Å; A490-L493 PolarHBondContact O-N 3.17Å; A490-L494 PolarHBondContact O-N 2.95Å; A490-I607 HydrophobicContact CB-CD1 3.83Å; A490-L649 HydrophobicContact CB-CD2 4.11Å; A490-L649 WeakPolarHBondContact O-CD2 3.49Å; A490-L652 HydrophobicContact CB-CB 4.24Å; A490-L652 HydrophobicContact CB-CD1 4.2Å; A490-M653 HydrophobicContact CB-CG 4.24Å; A490-M653 HydrophobicContact CB-SD 4.31Å
491	N	98.8	Very high	97.8	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-43.4	178.8	-172.8	109	0	0	0	111.5	I487 L494 A495 W568 Q569 V571 S605 I607	I487-N491 VanDerWaalsContact O-CB 3.23Å; I487-N491 WeakPolarHBondContact O-CB 3.47Å; I487-N491 PolarHBondContact O-N 3.09Å; N491-L494 PolarHBondContact O-N 3.21Å; N491-A495 PolarHBondContact O-N 3.3Å; N491-W568 HydrophobicContact CB-CZ2 4.35Å; N491-W568 PolarHBondContact O-NE1 2.99Å; N491-W568 VanDerWaalsContact O-NE1 3.13Å; N491-W568 WeakPolarHBondContact OD1-CZ2 3.46Å; N491-Q569 PolarHBondContact ND2-O 3.39Å; N491-V571 HydrophobicContact CB-CG2 3.68Å; N491-S605 WeakPolarHBondContact OD1-CB 3.34Å; N491-S605 PolarHBondContact OD1-OG 3.44Å; N491-I607 HydrophobicContact CB-CD1 4.22Å
492	N	98.8	Very high	97.6	Very high	40 Å²	40	24.6 Å²	24.6	21%	0.214	16%	0.156	C	C	.	.	H	α-helix	trans	-78.4	-26.9	-178	-67.1	-20.3	0	0	0	112.7	T488 A490 A495 A496 R570 V571	T488-N492 VanDerWaalsContact O-CB 3.27Å; T488-N492 WeakPolarHBondContact O-CB 3.33Å; T488-N492 VanDerWaalsContact O-CG 3.25Å; T488-N492 PolarHBondContact O-N 2.77Å; T488-N492 PolarHBondContact O-ND2 3.46Å; A490-N492 VanDerWaalsContact C-N 3.32Å; A490-N492 PolarHBondContact O-N 2.7Å; N492-A495 PolarHBondContact O-N 3.16Å; N492-A496 WeakPolarHBondContact O-CB 3.32Å; N492-A496 PolarHBondContact O-N 2.98Å; N492-R570 VanDerWaalsContact OD1-CA 3.31Å; N492-R570 WeakPolarHBondContact OD1-CA 3.27Å; N492-R570 WeakPolarHBondContact OD1-CB 3.43Å; N492-V571 PolarHBondContact ND2-O 3.49Å; N492-V571 PolarHBondContact OD1-N 3.06Å
493	L	98.8	Very high	97.4	Very high	65 Å²	65	25.2 Å²	25.2	34%	0.34	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-43.4	166.5	177.2	60.8	0	0	0	111.1	A489 A490 A496 A497 V645 A648 L649 L652	A489-L493 VanDerWaalsContact O-CB 3.28Å; A489-L493 WeakPolarHBondContact O-CB 3.36Å; A489-L493 PolarHBondContact O-N 2.53Å; A490-L493 PolarHBondContact O-N 3.17Å; L493-A496 PolarHBondContact O-N 3.25Å; L493-A497 WeakPolarHBondContact O-CB 3.22Å; L493-A497 PolarHBondContact O-N 2.9Å; L493-V645 HydrophobicContact CD2-CG2 4Å; L493-V645 HydrophobicContact CG-CG2 3.91Å; L493-A648 HydrophobicContact CD2-CB 3.91Å; L493-L649 HydrophobicContact CB-CD2 4.42Å; L493-L649 HydrophobicContact CD2-CD2 4.32Å; L493-L649 HydrophobicContact CG-CD2 4.47Å; L493-L652 HydrophobicContact CB-CD1 4.3Å; L493-L652 HydrophobicContact CD2-CD1 3.68Å
494	L	98.7	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-43.3	174.8	-178.4	54.1	0	0	0	111.4	A490 N491 A496 A497 I498 W568 I627 V629 A640 L643 V645 L649	A490-L494 PolarHBondContact O-N 2.95Å; N491-L494 PolarHBondContact O-N 3.21Å; L494-A496 PolarHBondContact O-N 3.39Å; L494-A497 PolarHBondContact O-N 3.49Å; L494-I498 WeakPolarHBondContact O-CG1 3.43Å; L494-I498 PolarHBondContact O-N 2.76Å; L494-I498 VanDerWaalsContact O-N 3.14Å; L494-W568 HydrophobicContact CD2-CD2 4.05Å; L494-W568 HydrophobicContact CD2-CE3 4.44Å; L494-W568 HydrophobicContact CD2-CH2 4.12Å; L494-W568 HydrophobicContact CD2-CZ2 3.68Å; L494-W568 HydrophobicContact CD2-CZ3 4.48Å; L494-W568 HydrophobicContact CG-CD2 4.43Å; L494-W568 HydrophobicContact CG-CZ2 4.45Å; L494-I627 HydrophobicContact CD2-CD1 4.12Å; L494-I627 HydrophobicContact CD2-CG2 3.97Å; L494-V629 HydrophobicContact CD1-CG1 3.95Å; L494-V629 HydrophobicContact CD2-CG1 3.77Å; L494-V629 HydrophobicContact CG-CG1 3.89Å; L494-A640 HydrophobicContact CD1-CB 3.69Å; L494-A640 HydrophobicContact CD2-CB 4.04Å; L494-L643 HydrophobicContact CD1-CD1 3.62Å; L494-V645 HydrophobicContact CD1-CG1 3.55Å; L494-L649 HydrophobicContact CB-CD1 4.33Å; L494-L649 HydrophobicContact CB-CD2 4.2Å; L494-L649 HydrophobicContact CD2-CD1 4.08Å
495	A	98.4	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-40.2	174.4	0	0	0	0	0	113.1	N491 N492 D499 R570	N491-A495 PolarHBondContact O-N 3.3Å; N492-A495 PolarHBondContact O-N 3.16Å; A495-D499 PolarHBondContact O-N 3.42Å; A495-R570 HydrophobicContact CB-CG 3.59Å
496	A	98.1	Very high	96.6	Very high	44 Å²	44	28.5 Å²	28.5	36%	0.364	18%	0.179	S	C	.	.	H	α-helix	trans	-68.7	-35.4	175.2	0	0	0	0	0	112.6	N492 L493 L494 D499 A500	N492-A496 WeakPolarHBondContact O-CB 3.32Å; N492-A496 PolarHBondContact O-N 2.98Å; L493-A496 PolarHBondContact O-N 3.25Å; L494-A496 PolarHBondContact O-N 3.39Å; A496-D499 PolarHBondContact O-N 2.72Å; A496-A500 VanDerWaalsContact O-CB 3.25Å; A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 2.99Å
497	A	97.8	Very high	96.2	Very high	21 Å²	21	31.9 Å²	31.9	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-38.2	176.8	0	0	0	0	0	112.3	L493 L494 R501 L643 V645	L493-A497 WeakPolarHBondContact O-CB 3.22Å; L493-A497 PolarHBondContact O-N 2.9Å; L494-A497 PolarHBondContact O-N 3.49Å; A497-R501 WeakPolarHBondContact O-CB 3.43Å; A497-R501 PolarHBondContact O-N 3.14Å; A497-L643 HydrophobicContact CB-CD1 4.47Å; A497-V645 HydrophobicContact CB-CB 4.39Å; A497-V645 HydrophobicContact CB-CG1 4.34Å; A497-V645 HydrophobicContact CB-CG2 4.41Å
498	I	97	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-58.5	172.5	-62.9	161.5	0	0	0	110	L494 A500 R501 M502 F561 I566 W568 V629 L643	L494-I498 WeakPolarHBondContact O-CG1 3.43Å; L494-I498 PolarHBondContact O-N 2.76Å; L494-I498 VanDerWaalsContact O-N 3.14Å; I498-A500 VanDerWaalsContact C-N 3.34Å; I498-A500 PolarHBondContact O-N 2.95Å; I498-R501 PolarHBondContact O-N 2.97Å; I498-R501 VanDerWaalsContact O-N 3.12Å; I498-M502 HydrophobicContact CG2-SD 3.86Å; I498-M502 WeakPolarHBondContact O-CG 3.35Å; I498-M502 PolarHBondContact O-N 2.87Å; I498-F561 HydrophobicContact CG1-CZ 4.42Å; I498-F561 HydrophobicContact CG2-CE2 4.38Å; I498-F561 HydrophobicContact CG2-CZ 4.28Å; I498-I566 HydrophobicContact CD1-CG2 4.48Å; I498-I566 HydrophobicContact CG2-CD1 3.92Å; I498-I566 HydrophobicContact CG2-CG2 4.32Å; I498-W568 HydrophobicContact CD1-CB 3.61Å; I498-W568 HydrophobicContact CD1-CG 3.98Å; I498-V629 HydrophobicContact CD1-CB 3.7Å; I498-V629 HydrophobicContact CD1-CG1 4.02Å; I498-V629 HydrophobicContact CD1-CG2 4.05Å; I498-V629 HydrophobicContact CG1-CB 4.27Å; I498-V629 HydrophobicContact CG1-CG2 4.07Å; I498-L643 HydrophobicContact CG1-CD1 3.64Å
499	D	95.4	Very high	96	Very high	37 Å²	37	35.7 Å²	35.7	20%	0.198	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-41	-173.3	-59.6	-21.3	0	0	0	111.5	A495 A496 L503 R570 R595	A495-D499 PolarHBondContact O-N 3.42Å; A496-D499 PolarHBondContact O-N 2.72Å; D499-L503 WeakPolarHBondContact O-CB 3.41Å; D499-L503 PolarHBondContact O-N 3.04Å; D499-R570 IonicContact OD2-CZ 3.46Å; D499-R570 IonicContact OD2-NH1 2.97Å; D499-R570 PolarHBondContact OD2-NH1 3.44Å; D499-R570 IonicContact OD2-NH2 3.88Å; D499-R570 PolarHBondContact OD2-NH2 3.01Å; D499-R595 IonicContact OD1-CZ 2.66Å; D499-R595 IonicContact OD1-NE 2.62Å; D499-R595 PolarHBondContact OD1-NE 2.85Å; D499-R595 IonicContact OD1-NH2 3.61Å; D499-R595 PolarHBondContact OD1-NH2 3.13Å; D499-R595 IonicContact OD2-NH2 2.66Å
500	A	94.8	Very high	95.9	Very high	42 Å²	42	35.6 Å²	35.6	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-66.9	-37.6	175.7	0	0	0	0	0	112.8	A496 I498 H504	A496-A500 VanDerWaalsContact O-CB 3.25Å; A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 2.99Å; I498-A500 VanDerWaalsContact C-N 3.34Å; I498-A500 PolarHBondContact O-N 2.95Å; A500-H504 WeakPolarHBondContact O-CB 3.42Å; A500-H504 PolarHBondContact O-CD2 2.95Å; A500-H504 VanDerWaalsContact O-CG 3.3Å; A500-H504 PolarHBondContact O-N 2.87Å
501	R	94.6	Very high	95.7	Very high	28 Å²	28	43.3 Å²	43.3	11%	0.106	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-43.3	177.4	-174.5	61.4	177.6	-104.2	0.3	111.3	A497 I498 H504 E505 V557 L559 L643	A497-R501 WeakPolarHBondContact O-CB 3.43Å; A497-R501 PolarHBondContact O-N 3.14Å; I498-R501 PolarHBondContact O-N 2.97Å; I498-R501 VanDerWaalsContact O-N 3.12Å; R501-H504 PolarHBondContact O-N 2.79Å; R501-E505 IonicContact CZ-OE1 3.67Å; R501-E505 IonicContact NE-OE1 2.74Å; R501-E505 PolarHBondContact NE-OE1 2.74Å; R501-E505 IonicContact NH2-OE1 2.72Å; R501-E505 PolarHBondContact NH2-OE1 3.18Å; R501-E505 WeakPolarHBondContact O-CB 3.34Å; R501-E505 PolarHBondContact O-N 2.68Å; R501-V557 PolarHBondContact NH2-O 2.88Å; R501-L559 HydrophobicContact CG-CD1 3.87Å; R501-L559 HydrophobicContact CG-CG 4.26Å; R501-L643 HydrophobicContact CB-CD2 3.74Å; R501-L643 HydrophobicContact CG-CD2 4.01Å
502	M	93.5	Very high	95.6	Very high	30 Å²	30	44.9 Å²	44.9	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-50.6	174.1	-66.9	170.3	71.4	0	0	111.5	I498 H504 E505 A506 F561 P563 I566	I498-M502 HydrophobicContact CG2-SD 3.86Å; I498-M502 WeakPolarHBondContact O-CG 3.35Å; I498-M502 PolarHBondContact O-N 2.87Å; M502-H504 VanDerWaalsContact C-N 3.35Å; M502-H504 PolarHBondContact O-N 3.12Å; M502-E505 PolarHBondContact O-N 3.18Å; M502-A506 WeakPolarHBondContact O-CB 3.22Å; M502-A506 PolarHBondContact O-N 3.33Å; M502-F561 HydrophobicContact CG-CB 4.19Å; M502-F561 HydrophobicContact CG-CD2 3.95Å; M502-F561 HydrophobicContact CG-CG 4.35Å; M502-P563 HydrophobicContact CE-CB 3.89Å; M502-P563 HydrophobicContact CE-CG 3.8Å; M502-I566 HydrophobicContact CE-CD1 3.82Å; M502-I566 HydrophobicContact SD-CD1 3.41Å; M502-I566 WeakPolarHBondContact SD-CD1 3.38Å
503	L	93.1	Very high	95.5	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.188	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-46.5	177.3	172.2	63.5	0	0	0	111.9	D499 A506 T507 Q593	D499-L503 WeakPolarHBondContact O-CB 3.41Å; D499-L503 PolarHBondContact O-N 3.04Å; L503-A506 PolarHBondContact O-N 3.48Å; L503-T507 HydrophobicContact CD1-CG2 4.07Å; L503-T507 WeakPolarHBondContact O-CB 3.15Å; L503-T507 WeakPolarHBondContact O-CG2 3.41Å; L503-T507 PolarHBondContact O-N 2.69Å; L503-T507 PolarHBondContact O-OG1 3Å; L503-Q593 HydrophobicContact CD1-CB 4.46Å; L503-Q593 HydrophobicContact CD1-CG 3.79Å
504	H	93.3	Very high	95.4	Very high	84 Å²	84	41 Å²	41	39%	0.389	24%	0.239	S	C	.	.	H	α-helix	trans	-74.5	-29.8	-177.7	-68.5	-15.6	0	0	0	113.7	A500 R501 M502 Q508 L513	A500-H504 WeakPolarHBondContact O-CB 3.42Å; A500-H504 PolarHBondContact O-CD2 2.95Å; A500-H504 VanDerWaalsContact O-CG 3.3Å; A500-H504 PolarHBondContact O-N 2.87Å; R501-H504 PolarHBondContact O-N 2.79Å; M502-H504 VanDerWaalsContact C-N 3.35Å; M502-H504 PolarHBondContact O-N 3.12Å; H504-Q508 VanDerWaalsContact O-CB 3.29Å; H504-Q508 WeakPolarHBondContact O-CB 3.26Å; H504-Q508 VanDerWaalsContact O-CG 3.3Å; H504-Q508 WeakPolarHBondContact O-CG 3.19Å; H504-Q508 PolarHBondContact O-N 2.82Å; H504-L513 HydrophobicContact CB-CD1 4.22Å
505	E	93.9	Very high	95.2	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-69.5	-45.6	169.2	-79.9	-174.9	-140.8	0	0	111.4	R501 M502 T507 L513 R558 L559 D560	R501-E505 IonicContact CZ-OE1 3.67Å; R501-E505 IonicContact NE-OE1 2.74Å; R501-E505 PolarHBondContact NE-OE1 2.74Å; R501-E505 IonicContact NH2-OE1 2.72Å; R501-E505 PolarHBondContact NH2-OE1 3.18Å; R501-E505 WeakPolarHBondContact O-CB 3.34Å; R501-E505 PolarHBondContact O-N 2.68Å; M502-E505 PolarHBondContact O-N 3.18Å; E505-T507 PolarHBondContact O-N 3.16Å; E505-L513 HydrophobicContact CG-CD2 3.62Å; E505-R558 VanDerWaalsContact C-NH1 3.3Å; E505-R558 VanDerWaalsContact CA-NH1 3.32Å; E505-R558 PolarHBondContact O-NH1 2.88Å; E505-R558 WeakPolarHBondContact OE2-CA 3.28Å; E505-L559 VanDerWaalsContact CD-N 3.31Å; E505-L559 PolarHBondContact OE1-N 3.18Å; E505-L559 PolarHBondContact OE2-N 3.46Å; E505-D560 PolarHBondContact OE2-N 2.85Å
506	A	90.6	Very high	95	Very high	61 Å²	61	51.4 Å²	51.4	50%	0.504	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-19.4	-179.2	0	0	0	0	0	114.5	M502 L503	M502-A506 WeakPolarHBondContact O-CB 3.22Å; M502-A506 PolarHBondContact O-N 3.33Å; L503-A506 PolarHBondContact O-N 3.48Å
507	T	90.9	Very high	94.9	Very high	90 Å²	90	51.7 Å²	51.7	55%	0.552	28%	0.279	S	S	*	.	H	α-helix	trans	-114.7	-2.6	-172.1	56.5	0	0	0	0	115.2	L503 E505	L503-T507 HydrophobicContact CD1-CG2 4.07Å; L503-T507 WeakPolarHBondContact O-CB 3.15Å; L503-T507 WeakPolarHBondContact O-CG2 3.41Å; L503-T507 PolarHBondContact O-N 2.69Å; L503-T507 PolarHBondContact O-OG1 3Å; E505-T507 PolarHBondContact O-N 3.16Å
508	Q	94.3	Very high	94.7	Very high	29 Å²	29	50.7 Å²	50.7	14%	0.136	27%	0.27	C	S	.	.	S	Bend	trans	-131.3	144.4	-173.8	-56.3	179.2	35.2	0	0	112.2	H504 L513 R558	H504-Q508 VanDerWaalsContact O-CB 3.29Å; H504-Q508 WeakPolarHBondContact O-CB 3.26Å; H504-Q508 VanDerWaalsContact O-CG 3.3Å; H504-Q508 WeakPolarHBondContact O-CG 3.19Å; H504-Q508 PolarHBondContact O-N 2.82Å; Q508-L513 HydrophobicContact CB-CB 4.28Å; Q508-R558 PolarHBondContact O-NH2 2.99Å
509	S	96.8	Very high	94.6	Very high	78 Å²	78	53.9 Å²	53.9	55%	0.545	29%	0.291	S	S	.	.			trans	-76.1	154.9	167.2	60.4	0	0	0	0	111.3	K511 S512 L513	S509-K511 VanDerWaalsContact C-N 3.33Å; S509-K511 PolarHBondContact O-N 3.2Å; S509-S512 CarbonylContact O-C 3.57Å; S509-S512 VanDerWaalsContact O-CA 3.31Å; S509-S512 WeakPolarHBondContact O-CA 3.49Å; S509-S512 WeakPolarHBondContact O-CB 3.49Å; S509-S512 PolarHBondContact O-N 2.82Å; S509-L513 PolarHBondContact O-N 2.86Å
510	D	97.3	Very high	94.5	Very high	44 Å²	44	55 Å²	55	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-56.3	-44.7	-170.3	-62.2	18	0	0	0	112.5	S512 L513 F514 S554 V557 R558	D510-S512 VanDerWaalsContact C-N 3.28Å; D510-S512 PolarHBondContact O-N 3.41Å; D510-L513 PolarHBondContact O-N 3.42Å; D510-F514 VanDerWaalsContact O-CB 3.25Å; D510-F514 WeakPolarHBondContact O-CB 3.47Å; D510-F514 PolarHBondContact O-N 2.78Å; D510-S554 WeakPolarHBondContact OD2-CA 3.47Å; D510-S554 WeakPolarHBondContact OD2-CB 3.48Å; D510-S554 PolarHBondContact OD2-OG 3.08Å; D510-V557 HydrophobicContact CB-CG2 3.96Å; D510-R558 IonicContact OD1-CZ 3.37Å; D510-R558 VanDerWaalsContact OD1-CZ 3.23Å; D510-R558 IonicContact OD1-NE 2.63Å; D510-R558 PolarHBondContact OD1-NE 2.79Å; D510-R558 IonicContact OD1-NH2 3.97Å; D510-R558 PolarHBondContact OD1-NH2 3.04Å
511	K	95.2	Very high	94.2	Very high	161 Å²	161	57 Å²	57	70%	0.7	31%	0.31	S	S	*	.	H	α-helix	trans	-58.4	-37.3	173	-177.3	173.8	-178.3	173.5	0	112.7	S509 N515	S509-K511 VanDerWaalsContact C-N 3.33Å; S509-K511 PolarHBondContact O-N 3.2Å; K511-N515 VanDerWaalsContact O-CB 3.25Å; K511-N515 WeakPolarHBondContact O-CB 3.46Å; K511-N515 PolarHBondContact O-N 2.76Å; K511-N515 VanDerWaalsContact O-N 3.12Å; K511-N515 PolarHBondContact O-ND2 2.79Å
512	S	96.3	Very high	94	Very high	37 Å²	37	66.8 Å²	66.8	26%	0.259	35%	0.348	S	S	.	.	H	α-helix	trans	-72.8	-40.5	178.8	-156.2	0	0	0	0	111.3	S509 D510 R516	S509-S512 CarbonylContact O-C 3.57Å; S509-S512 VanDerWaalsContact O-CA 3.31Å; S509-S512 WeakPolarHBondContact O-CA 3.49Å; S509-S512 WeakPolarHBondContact O-CB 3.49Å; S509-S512 PolarHBondContact O-N 2.82Å; D510-S512 VanDerWaalsContact C-N 3.28Å; D510-S512 PolarHBondContact O-N 3.41Å; S512-R516 PolarHBondContact O-N 2.76Å; S512-R516 PolarHBondContact O-NH1 2.79Å; S512-R516 PolarHBondContact OG-NH1 2.87Å
513	L	96.2	Very high	93.8	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-71.4	-45.7	177.8	-173	57.6	0	0	0	111.7	H504 E505 Q508 S509 D510 N515 R516 L517 V557	H504-L513 HydrophobicContact CB-CD1 4.22Å; E505-L513 HydrophobicContact CG-CD2 3.62Å; Q508-L513 HydrophobicContact CB-CB 4.28Å; S509-L513 PolarHBondContact O-N 2.86Å; D510-L513 PolarHBondContact O-N 3.42Å; L513-N515 VanDerWaalsContact C-N 3.28Å; L513-N515 PolarHBondContact O-N 2.99Å; L513-R516 PolarHBondContact O-N 3.33Å; L513-L517 HydrophobicContact CD1-CD1 4.24Å; L513-L517 HydrophobicContact CD1-CG 4.29Å; L513-L517 HydrophobicContact CG-CD1 3.9Å; L513-L517 HydrophobicContact CG-CG 4.37Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 2.86Å; L513-V557 HydrophobicContact CB-CB 4.45Å; L513-V557 HydrophobicContact CB-CG2 4.48Å; L513-V557 HydrophobicContact CD2-CB 3.95Å; L513-V557 HydrophobicContact CD2-CG2 4.14Å; L513-V557 WeakPolarHBondContact CD2-O 3.48Å; L513-V557 HydrophobicContact CG-CB 4.1Å
514	F	96.6	Very high	93.7	Very high	19 Å²	19	70.7 Å²	70.7	8%	0.083	39%	0.388	C	S	.	.	H	α-helix	trans	-55.5	-43.3	172.4	-173.4	-103.1	0	0	0	111.8	D510 R516 L517 V518 F527 P545 L548 V553 F556 V557	D510-F514 VanDerWaalsContact O-CB 3.25Å; D510-F514 WeakPolarHBondContact O-CB 3.47Å; D510-F514 PolarHBondContact O-N 2.78Å; F514-R516 PolarHBondContact O-N 2.9Å; F514-L517 PolarHBondContact O-N 2.9Å; F514-V518 HydrophobicContact CD2-CG2 4.16Å; F514-V518 HydrophobicContact CE2-CG2 3.93Å; F514-V518 HydrophobicContact CZ-CB 4.49Å; F514-V518 HydrophobicContact CZ-CG2 4.33Å; F514-V518 PolarHBondContact O-N 3.26Å; F514-F527 HydrophobicContact CE2-CE1 4.06Å; F514-F527 HydrophobicContact CE2-CZ 4.24Å; F514-F527 HydrophobicContact CZ-CE1 4.42Å; F514-F527 HydrophobicContact CZ-CZ 4.33Å; F514-P545 HydrophobicContact CE1-CB 4.48Å; F514-P545 HydrophobicContact CZ-CB 3.97Å; F514-P545 WeakPolarHBondContact CZ-O 3.37Å; F514-L548 HydrophobicContact CE2-CD1 4.09Å; F514-V553 HydrophobicContact CB-CG1 3.86Å; F514-V553 HydrophobicContact CD2-CG1 3.88Å; F514-V553 HydrophobicContact CD2-CG2 4.26Å; F514-V553 HydrophobicContact CE2-CG2 4.18Å; F514-V553 HydrophobicContact CG-CG1 3.9Å; F514-V553 HydrophobicContact CZ-CG2 4.39Å; F514-F556 AromaticContact CD2-CD1 3.93Å; F514-F556 HydrophobicContact CD2-CD1 3.93Å; F514-F556 HydrophobicContact CD2-CE1 4.12Å; F514-F556 HydrophobicContact CE2-CD1 4.01Å; F514-F556 HydrophobicContact CE2-CE1 4.14Å; F514-V557 HydrophobicContact CB-CG1 3.78Å; F514-V557 HydrophobicContact CD2-CG1 3.87Å; F514-V557 HydrophobicContact CG-CG1 4.35Å
515	N	94.8	Very high	93.7	Very high	67 Å²	67	70.7 Å²	70.7	36%	0.358	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-29.4	177.1	-85.5	-29.6	0	0	0	113.8	K511 L513 R525	K511-N515 VanDerWaalsContact O-CB 3.25Å; K511-N515 WeakPolarHBondContact O-CB 3.46Å; K511-N515 PolarHBondContact O-N 2.76Å; K511-N515 VanDerWaalsContact O-N 3.12Å; K511-N515 PolarHBondContact O-ND2 2.79Å; L513-N515 VanDerWaalsContact C-N 3.28Å; L513-N515 PolarHBondContact O-N 2.99Å; N515-R525 PolarHBondContact OD1-NH1 3.38Å; N515-R525 PolarHBondContact OD1-NH2 3.01Å
516	R	95.2	Very high	93.7	Very high	151 Å²	151	77.7 Å²	77.7	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-90.7	-36.8	177.5	-68.1	-176.5	-176.6	75.7	8.9	113.1	S512 L513 F514	S512-R516 PolarHBondContact O-N 2.76Å; S512-R516 PolarHBondContact O-NH1 2.79Å; S512-R516 PolarHBondContact OG-NH1 2.87Å; L513-R516 PolarHBondContact O-N 3.33Å; F514-R516 PolarHBondContact O-N 2.9Å
517	L	94.4	Very high	94	Very high	50 Å²	50	75.6 Å²	75.6	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-70.6	-34.9	177.7	-70.1	174.3	0	0	0	112.1	L513 F514 P519 Q531 V557	L513-L517 HydrophobicContact CD1-CD1 4.24Å; L513-L517 HydrophobicContact CD1-CG 4.29Å; L513-L517 HydrophobicContact CG-CD1 3.9Å; L513-L517 HydrophobicContact CG-CG 4.37Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 2.86Å; F514-L517 PolarHBondContact O-N 2.9Å; L517-P519 VanDerWaalsContact C-CD 3.45Å; L517-P519 WeakPolarHBondContact O-CD 3.37Å; L517-Q531 PolarHBondContact O-NE2 3.06Å; L517-V557 HydrophobicContact CD1-CB 4.03Å; L517-V557 HydrophobicContact CD1-CG1 3.92Å
518	V	95.3	Very high	94.1	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-124.2	65.5	-177.9	-162.2	0	0	0	0	109.5	F514 R525 F527 P545 F556	F514-V518 HydrophobicContact CD2-CG2 4.16Å; F514-V518 HydrophobicContact CE2-CG2 3.93Å; F514-V518 HydrophobicContact CZ-CB 4.49Å; F514-V518 HydrophobicContact CZ-CG2 4.33Å; F514-V518 PolarHBondContact O-N 3.26Å; V518-R525 HydrophobicContact CG1-CB 4.3Å; V518-R525 WeakPolarHBondContact O-CD 3.39Å; V518-R525 PolarHBondContact O-NH1 2.9Å; V518-F527 HydrophobicContact CG1-CD1 4.03Å; V518-F527 HydrophobicContact CG1-CE1 4.2Å; V518-F527 HydrophobicContact CG2-CD1 3.87Å; V518-F527 HydrophobicContact CG2-CE1 3.71Å; V518-P545 HydrophobicContact CG1-CB 4.02Å; V518-P545 HydrophobicContact CG1-CG 3.79Å; V518-F556 HydrophobicContact CG2-CE1 3.71Å; V518-F556 HydrophobicContact CG2-CZ 4.14Å
519	P	94.3	Very high	94	Very high	67 Å²	67	77.4 Å²	77.4	44%	0.435	41%	0.412	S	S	.	.			trans	-63.8	152.3	-171.9	28.2	-35.5	0	0	0	111.9	L517 V521	L517-P519 VanDerWaalsContact C-CD 3.45Å; L517-P519 WeakPolarHBondContact O-CD 3.37Å; P519-V521 HydrophobicContact CG-CG2 4.49Å
520	S	92.8	Very high	93.9	Very high	61 Å²	61	75.3 Å²	75.3	43%	0.427	39%	0.394	S	S	.	.			trans	-84.1	119.1	170.4	-177.5	0	0	0	0	109.3	G523 V524	S520-G523 VanDerWaalsContact OG-CA 3.26Å; S520-G523 WeakPolarHBondContact OG-CA 3.41Å; S520-G523 PolarHBondContact OG-O 2.85Å; S520-V524 PolarHBondContact OG-N 2.83Å
521	V	89.6	Confident	93.8	Very high	84 Å²	84	74.8 Å²	74.8	51%	0.509	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-116.3	120.2	-179.6	-176.2	0	0	0	0	107.6	P519 G523 V524	P519-V521 HydrophobicContact CG-CG2 4.49Å; V521-G523 PolarHBondContact O-N 3.09Å; V521-V524 PolarHBondContact N-O 3.44Å; V521-V524 PolarHBondContact O-N 3Å
522	Y	90.4	Very high	93.8	Very high	234 Å²	234	69 Å²	69	92%	0.918	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36.1	-169.6	-52	-64.5	0	0	0	113.8	V524	Y522-V524 VanDerWaalsContact C-N 3.31Å; Y522-V524 PolarHBondContact O-N 2.97Å
523	G	88.8	Confident	93.6	Very high	66 Å²	66	69.2 Å²	69.2	68%	0.68	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-13.2	-179.2	0	0	0	0	0	114.9	S520 V521	S520-G523 VanDerWaalsContact OG-CA 3.26Å; S520-G523 WeakPolarHBondContact OG-CA 3.41Å; S520-G523 PolarHBondContact OG-O 2.85Å; V521-G523 PolarHBondContact O-N 3.09Å
524	V	90	Very high	93.4	Very high	82 Å²	82	70.2 Å²	70.2	50%	0.497	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-104.3	132.1	-175.5	-169.9	0	0	0	0	110.9	S520 V521 Y522 K526	S520-V524 PolarHBondContact OG-N 2.83Å; V521-V524 PolarHBondContact N-O 3.44Å; V521-V524 PolarHBondContact O-N 3Å; Y522-V524 VanDerWaalsContact C-N 3.31Å; Y522-V524 PolarHBondContact O-N 2.97Å; V524-K526 HydrophobicContact CG1-CG 4.09Å
525	R	93.9	Very high	93.4	Very high	83 Å²	83	69.4 Å²	69.4	31%	0.313	37%	0.368	S	S	.	.			trans	-96.6	141	165.4	-64.9	-175.5	-166.9	-96.9	6.4	109.5	N515 V518 P545	N515-R525 PolarHBondContact OD1-NH1 3.38Å; N515-R525 PolarHBondContact OD1-NH2 3.01Å; V518-R525 HydrophobicContact CG1-CB 4.3Å; V518-R525 WeakPolarHBondContact O-CD 3.39Å; V518-R525 PolarHBondContact O-NH1 2.9Å; R525-P545 HydrophobicContact CB-CB 3.99Å; R525-P545 HydrophobicContact CB-CG 3.96Å
526	K	94.8	Very high	93.3	Very high	163 Å²	163	74.1 Å²	74.1	71%	0.709	38%	0.381	S	S	*	.			trans	-143.8	141	170.2	-63.7	-173.2	179	-178	0	108.9	V524	V524-K526 HydrophobicContact CG1-CG 4.09Å
527	F	95.4	Very high	93	Very high	16 Å²	16	72.6 Å²	72.6	7%	0.07	38%	0.375	C	S	.	.			trans	-69.2	140.6	167	-65.6	-65	0	0	0	110.2	F514 V518 Q531 I532 L535 T543 P545 L548 F556	F514-F527 HydrophobicContact CE2-CE1 4.06Å; F514-F527 HydrophobicContact CE2-CZ 4.24Å; F514-F527 HydrophobicContact CZ-CE1 4.42Å; F514-F527 HydrophobicContact CZ-CZ 4.33Å; V518-F527 HydrophobicContact CG1-CD1 4.03Å; V518-F527 HydrophobicContact CG1-CE1 4.2Å; V518-F527 HydrophobicContact CG2-CD1 3.87Å; V518-F527 HydrophobicContact CG2-CE1 3.71Å; F527-Q531 HydrophobicContact CB-CB 4Å; F527-Q531 HydrophobicContact CD1-CB 3.99Å; F527-Q531 HydrophobicContact CG-CB 4.41Å; F527-I532 HydrophobicContact CB-CD1 4.35Å; F527-I532 HydrophobicContact CB-CG1 3.74Å; F527-L535 HydrophobicContact CD1-CD1 3.98Å; F527-L535 HydrophobicContact CD2-CD1 3.66Å; F527-L535 HydrophobicContact CE1-CD1 3.91Å; F527-L535 HydrophobicContact CE2-CD1 3.61Å; F527-L535 HydrophobicContact CG-CD1 3.86Å; F527-L535 HydrophobicContact CZ-CD1 3.75Å; F527-T543 WeakPolarHBondContact CD2-O 3.41Å; F527-P545 HydrophobicContact CD1-CG 4.39Å; F527-P545 HydrophobicContact CD2-CG 3.78Å; F527-P545 HydrophobicContact CE1-CB 4.44Å; F527-P545 HydrophobicContact CE1-CG 4.3Å; F527-P545 HydrophobicContact CE2-CB 4.05Å; F527-P545 HydrophobicContact CE2-CG 3.66Å; F527-P545 HydrophobicContact CG-CG 4.14Å; F527-P545 HydrophobicContact CZ-CB 3.93Å; F527-P545 HydrophobicContact CZ-CG 3.92Å; F527-L548 HydrophobicContact CZ-CD1 3.74Å; F527-L548 HydrophobicContact CZ-CG 4.16Å; F527-F556 HydrophobicContact CD1-CE1 4.44Å; F527-F556 HydrophobicContact CD1-CE2 4.46Å; F527-F556 AromaticContact CD1-CZ 3.97Å; F527-F556 HydrophobicContact CD1-CZ 3.97Å; F527-F556 HydrophobicContact CE1-CD1 4.45Å; F527-F556 AromaticContact CE1-CE1 3.9Å; F527-F556 HydrophobicContact CE1-CE1 3.9Å; F527-F556 HydrophobicContact CE1-CE2 4.33Å; F527-F556 AromaticContact CE1-CZ 3.83Å; F527-F556 HydrophobicContact CE1-CZ 3.83Å
528	S	94	Very high	92.9	Very high	46 Å²	46	73.2 Å²	73.2	32%	0.322	38%	0.378	S	S	.	.			trans	-74.6	161.1	167.2	69.7	0	0	0	0	110.8	I530 Q531 I532	S528-I530 PolarHBondContact O-N 3.26Å; S528-I530 VanDerWaalsContact O-N 3.13Å; S528-I530 WeakPolarHBondContact OG-CG2 3.28Å; S528-Q531 WeakPolarHBondContact O-CA 3.29Å; S528-Q531 WeakPolarHBondContact O-CB 3.46Å; S528-Q531 PolarHBondContact O-N 3.3Å; S528-Q531 WeakPolarHBondContact OG-CG 3.41Å; S528-Q531 PolarHBondContact OG-OE1 3.2Å; S528-I532 PolarHBondContact O-N 2.9Å
529	P	93.3	Very high	92.9	Very high	112 Å²	112	76.3 Å²	76.3	73%	0.727	41%	0.409	S	S	*	.	H	α-helix	trans	-55.9	-33.3	-178.7	-28.6	36.5	0	0	0	114.4	I532 S533	P529-I532 PolarHBondContact O-N 3.36Å; P529-S533 PolarHBondContact O-N 2.98Å
530	I	94.2	Very high	92.9	Very high	33 Å²	33	73.7 Å²	73.7	17%	0.169	39%	0.392	C	S	.	.	H	α-helix	trans	-75.1	-27.7	176.6	-170.9	155	0	0	0	112.9	S528 S533 R534 E641 S646	S528-I530 PolarHBondContact O-N 3.26Å; S528-I530 VanDerWaalsContact O-N 3.13Å; S528-I530 WeakPolarHBondContact OG-CG2 3.28Å; I530-S533 VanDerWaalsContact O-CB 3.24Å; I530-S533 WeakPolarHBondContact O-CB 3.2Å; I530-S533 PolarHBondContact O-N 2.82Å; I530-R534 PolarHBondContact O-N 3.35Å; I530-E641 HydrophobicContact CD1-CG 4.4Å; I530-E641 WeakPolarHBondContact CD1-OE2 3.39Å; I530-E641 HydrophobicContact CG1-CG 4.2Å; I530-S646 VanDerWaalsContact CD1-OG 3.28Å; I530-S646 WeakPolarHBondContact CD1-OG 3.41Å
531	Q	95.3	Very high	92.9	Very high	33 Å²	33	77.2 Å²	77.2	15%	0.154	41%	0.406	C	S	.	.	H	α-helix	trans	-72.2	-37.9	171.2	-70	171.4	-23.2	0	0	111.3	L517 F527 S528 S533 R534 L535 F556	L517-Q531 PolarHBondContact O-NE2 3.06Å; F527-Q531 HydrophobicContact CB-CB 4Å; F527-Q531 HydrophobicContact CD1-CB 3.99Å; F527-Q531 HydrophobicContact CG-CB 4.41Å; S528-Q531 WeakPolarHBondContact O-CA 3.29Å; S528-Q531 WeakPolarHBondContact O-CB 3.46Å; S528-Q531 PolarHBondContact O-N 3.3Å; S528-Q531 WeakPolarHBondContact OG-CG 3.41Å; S528-Q531 PolarHBondContact OG-OE1 3.2Å; Q531-S533 VanDerWaalsContact C-N 3.3Å; Q531-S533 PolarHBondContact O-N 2.81Å; Q531-R534 PolarHBondContact O-N 3.19Å; Q531-L535 WeakPolarHBondContact O-CG 3.4Å; Q531-L535 PolarHBondContact O-N 3.18Å; Q531-F556 HydrophobicContact CB-CE2 3.88Å; Q531-F556 HydrophobicContact CB-CZ 3.83Å; Q531-F556 HydrophobicContact CG-CE2 4.18Å; Q531-F556 HydrophobicContact CG-CZ 3.78Å
532	I	94.3	Very high	93.1	Very high	41 Å²	41	76.6 Å²	76.6	21%	0.21	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-37.4	170.8	-60.8	170.3	0	0	0	110.7	F527 S528 P529 L535 R536	F527-I532 HydrophobicContact CB-CD1 4.35Å; F527-I532 HydrophobicContact CB-CG1 3.74Å; S528-I532 PolarHBondContact O-N 2.9Å; P529-I532 PolarHBondContact O-N 3.36Å; I532-L535 PolarHBondContact O-N 3.48Å; I532-R536 WeakPolarHBondContact O-CG 3.49Å; I532-R536 PolarHBondContact O-N 3.19Å; I532-R536 VanDerWaalsContact O-N 3.09Å
533	S	92.2	Very high	93.2	Very high	40 Å²	40	70 Å²	70	28%	0.28	38%	0.381	S	S	.	.	H	α-helix	trans	-56.8	-47.4	171.7	-161.4	0	0	0	0	111.7	P529 I530 Q531 R537 E641	P529-S533 PolarHBondContact O-N 2.98Å; I530-S533 VanDerWaalsContact O-CB 3.24Å; I530-S533 WeakPolarHBondContact O-CB 3.2Å; I530-S533 PolarHBondContact O-N 2.82Å; Q531-S533 VanDerWaalsContact C-N 3.3Å; Q531-S533 PolarHBondContact O-N 2.81Å; S533-R537 PolarHBondContact O-N 2.81Å; S533-E641 WeakPolarHBondContact CB-OE1 3.3Å; S533-E641 PolarHBondContact OG-OE1 3.14Å
534	R	93.1	Very high	93.5	Very high	27 Å²	27	70.8 Å²	70.8	10%	0.102	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-46.5	174.7	179.6	168.4	171.2	72.5	4.9	113	I530 Q531 R536 R537 L538 S555 F556 R558 D642	I530-R534 PolarHBondContact O-N 3.35Å; Q531-R534 PolarHBondContact O-N 3.19Å; R534-R536 VanDerWaalsContact C-N 3.31Å; R534-R536 PolarHBondContact O-N 2.85Å; R534-R537 PolarHBondContact O-N 2.63Å; R534-L538 HydrophobicContact CG-CD1 4.07Å; R534-L538 HydrophobicContact CG-CG 4.46Å; R534-L538 PolarHBondContact O-N 3.18Å; R534-L538 VanDerWaalsContact O-N 3.12Å; R534-S555 PolarHBondContact NH2-O 2.95Å; R534-F556 HydrophobicContact CG-CD2 4.44Å; R534-F556 PolarHBondContact NE-O 3Å; R534-R558 PolarHBondContact NH2-O 2.87Å; R534-D642 IonicContact CZ-OD1 3.63Å; R534-D642 IonicContact NH1-OD1 3.88Å; R534-D642 PolarHBondContact NH1-OD1 2.91Å
535	L	94.8	Very high	93.7	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-56.2	-44.5	-179.7	-73.3	165.9	0	0	0	111.7	F527 Q531 I532 R537 L538 G539 I540 L548 F556	F527-L535 HydrophobicContact CD1-CD1 3.98Å; F527-L535 HydrophobicContact CD2-CD1 3.66Å; F527-L535 HydrophobicContact CE1-CD1 3.91Å; F527-L535 HydrophobicContact CE2-CD1 3.61Å; F527-L535 HydrophobicContact CG-CD1 3.86Å; F527-L535 HydrophobicContact CZ-CD1 3.75Å; Q531-L535 WeakPolarHBondContact O-CG 3.4Å; Q531-L535 PolarHBondContact O-N 3.18Å; I532-L535 PolarHBondContact O-N 3.48Å; L535-R537 VanDerWaalsContact C-N 3.35Å; L535-R537 PolarHBondContact O-N 3.27Å; L535-L538 CarbonylContact O-C 3.53Å; L535-L538 WeakPolarHBondContact O-CA 3.39Å; L535-L538 WeakPolarHBondContact O-CB 3.36Å; L535-L538 PolarHBondContact O-N 2.87Å; L535-G539 PolarHBondContact O-N 2.83Å; L535-I540 CarbonylContact C-O 3.38Å; L535-I540 HydrophobicContact CB-CB 4.25Å; L535-I540 WeakPolarHBondContact CB-O 3.43Å; L535-I540 HydrophobicContact CD2-CB 4.08Å; L535-I540 HydrophobicContact CD2-CD1 4.01Å; L535-I540 HydrophobicContact CD2-CG2 3.95Å; L535-I540 WeakPolarHBondContact O-CB 3.24Å; L535-I540 PolarHBondContact O-N 3.36Å; L535-L548 HydrophobicContact CD2-CD1 4.13Å; L535-F556 HydrophobicContact CD1-CE2 4.44Å; L535-F556 HydrophobicContact CD2-CB 4.05Å; L535-F556 HydrophobicContact CD2-CD2 3.5Å; L535-F556 VanDerWaalsContact CD2-CD2 3.5Å; L535-F556 HydrophobicContact CD2-CE2 4.21Å; L535-F556 HydrophobicContact CD2-CG 3.94Å; L535-F556 HydrophobicContact CG-CD2 3.71Å; L535-F556 HydrophobicContact CG-CE2 3.98Å
536	R	93.5	Very high	93.6	Very high	166 Å²	166	67.5 Å²	67.5	63%	0.626	37%	0.368	S	S	*	.	H	α-helix	trans	-60.6	-38.6	175.2	-72.2	172.5	178	167.6	-0.6	113.6	I532 R534 L538 G539	I532-R536 WeakPolarHBondContact O-CG 3.49Å; I532-R536 PolarHBondContact O-N 3.19Å; I532-R536 VanDerWaalsContact O-N 3.09Å; R534-R536 VanDerWaalsContact C-N 3.31Å; R534-R536 PolarHBondContact O-N 2.85Å; R536-L538 PolarHBondContact O-N 3.24Å; R536-G539 PolarHBondContact O-N 3.37Å; R536-G539 VanDerWaalsContact O-N 3.09Å
537	R	89.3	Confident	93.6	Very high	118 Å²	118	62 Å²	62	45%	0.445	35%	0.35	S	S	.	.	H	α-helix	trans	-68.5	-23.2	175	-70.4	-168.5	-63.5	-171.1	0.2	113.3	S533 R534 L535 G539 T639 D642	S533-R537 PolarHBondContact O-N 2.81Å; R534-R537 PolarHBondContact O-N 2.63Å; L535-R537 VanDerWaalsContact C-N 3.35Å; L535-R537 PolarHBondContact O-N 3.27Å; R537-G539 VanDerWaalsContact C-N 3.31Å; R537-T639 PolarHBondContact NH1-OG1 2.75Å; R537-T639 PolarHBondContact NH2-OG1 2.84Å; R537-D642 IonicContact CZ-OD1 2.65Å; R537-D642 IonicContact CZ-OD2 3.32Å; R537-D642 IonicContact NE-OD1 2.83Å; R537-D642 IonicContact NH1-OD2 2.72Å; R537-D642 IonicContact NH2-OD1 3.58Å; R537-D642 PolarHBondContact NH2-OD1 3.11Å; R537-D642 IonicContact NH2-OD2 3.62Å; R537-D642 PolarHBondContact NH2-OD2 3.15Å
538	L	91.9	Very high	93.6	Very high	64 Å²	64	62.2 Å²	62.2	34%	0.335	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.7	171.8	-62	171	0	0	0	113	R534 L535 R536 I540 S555 F556	R534-L538 HydrophobicContact CG-CD1 4.07Å; R534-L538 HydrophobicContact CG-CG 4.46Å; R534-L538 PolarHBondContact O-N 3.18Å; R534-L538 VanDerWaalsContact O-N 3.12Å; L535-L538 CarbonylContact O-C 3.53Å; L535-L538 WeakPolarHBondContact O-CA 3.39Å; L535-L538 WeakPolarHBondContact O-CB 3.36Å; L535-L538 PolarHBondContact O-N 2.87Å; R536-L538 PolarHBondContact O-N 3.24Å; L538-I540 VanDerWaalsContact C-N 3.33Å; L538-I540 HydrophobicContact CB-CD1 3.83Å; L538-I540 HydrophobicContact CB-CG1 4.08Å; L538-I540 HydrophobicContact CD1-CD1 4.24Å; L538-S555 WeakPolarHBondContact CD1-O 3.46Å; L538-F556 HydrophobicContact CD1-CB 4.35Å
539	G	94.6	Very high	93.8	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	18.2	-175.1	0	0	0	0	0	114.5	L535 R536 R537	L535-G539 PolarHBondContact O-N 2.83Å; R536-G539 PolarHBondContact O-N 3.37Å; R536-G539 VanDerWaalsContact O-N 3.09Å; R537-G539 VanDerWaalsContact C-N 3.31Å
540	I	95.3	Very high	93.9	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.062	35%	0.346	C	S	.	.			trans	-104.3	102.5	-176.1	-54.4	166.9	0	0	0	109.5	L535 L538 K542 L548 E552	L535-I540 CarbonylContact C-O 3.38Å; L535-I540 HydrophobicContact CB-CB 4.25Å; L535-I540 WeakPolarHBondContact CB-O 3.43Å; L535-I540 HydrophobicContact CD2-CB 4.08Å; L535-I540 HydrophobicContact CD2-CD1 4.01Å; L535-I540 HydrophobicContact CD2-CG2 3.95Å; L535-I540 WeakPolarHBondContact O-CB 3.24Å; L535-I540 PolarHBondContact O-N 3.36Å; L538-I540 VanDerWaalsContact C-N 3.33Å; L538-I540 HydrophobicContact CB-CD1 3.83Å; L538-I540 HydrophobicContact CB-CG1 4.08Å; L538-I540 HydrophobicContact CD1-CD1 4.24Å; I540-K542 VanDerWaalsContact C-N 3.26Å; I540-K542 HydrophobicContact CG2-CB 3.95Å; I540-K542 HydrophobicContact CG2-CD 4.41Å; I540-K542 HydrophobicContact CG2-CG 4.3Å; I540-K542 PolarHBondContact O-N 3.49Å; I540-L548 HydrophobicContact CG2-CD2 3.79Å; I540-E552 HydrophobicContact CD1-CB 3.95Å; I540-E552 HydrophobicContact CD1-CG 4.03Å; I540-E552 HydrophobicContact CG1-CG 4.26Å
541	D	93.5	Very high	94	Very high	136 Å²	136	66.1 Å²	66.1	73%	0.727	37%	0.366	S	S	*	.			trans	-80.3	-2.9	178.6	-74.9	-48	0	0	0	114.4	T543	D541-T543 PolarHBondContact O-N 3.21Å
542	K	93.7	Very high	94	Very high	71 Å²	71	66.4 Å²	66.4	31%	0.309	37%	0.368	S	S	.	.			trans	-70.3	125.4	-177	-66.9	176.8	178.4	178.7	0	112.1	I540 S547 L548 E552	I540-K542 VanDerWaalsContact C-N 3.26Å; I540-K542 HydrophobicContact CG2-CB 3.95Å; I540-K542 HydrophobicContact CG2-CD 4.41Å; I540-K542 HydrophobicContact CG2-CG 4.3Å; I540-K542 PolarHBondContact O-N 3.49Å; K542-S547 WeakPolarHBondContact CD-O 3.47Å; K542-S547 PolarHBondContact NZ-O 3.15Å; K542-L548 HydrophobicContact CB-CD2 3.68Å; K542-L548 HydrophobicContact CD-CD2 3.75Å; K542-L548 HydrophobicContact CG-CD2 4.37Å; K542-E552 WeakPolarHBondContact CD-OE1 3.36Å; K542-E552 WeakPolarHBondContact CE-OE1 3.5Å; K542-E552 IonicContact NZ-OE1 3.37Å; K542-E552 PolarHBondContact NZ-OE1 2.98Å; K542-E552 IonicContact NZ-OE2 2.68Å; K542-E552 PolarHBondContact NZ-OE2 2.86Å
543	T	92.4	Very high	94.1	Very high	96 Å²	96	65.5 Å²	65.5	59%	0.589	36%	0.364	S	S	*	.			trans	-105.7	-9.2	-178.8	54.9	0	0	0	0	114.7	F527 D541	F527-T543 WeakPolarHBondContact CD2-O 3.41Å; D541-T543 PolarHBondContact O-N 3.21Å
544	D	93.6	Very high	94.3	Very high	81 Å²	81	65.4 Å²	65.4	43%	0.433	36%	0.363	S	S	.	.			trans	-93.7	118.8	172	171.5	21.8	0	0	0	110.8	A546 S547	D544-A546 PolarHBondContact O-N 3.31Å; D544-A546 VanDerWaalsContact O-N 3.12Å; D544-A546 PolarHBondContact OD1-N 3.03Å; D544-S547 PolarHBondContact O-N 3.13Å; D544-S547 PolarHBondContact O-OG 3.13Å
545	P	94.4	Very high	94.4	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.058	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.7	174.7	-25.9	35.2	0	0	0	115.8	F514 V518 R525 F527	F514-P545 HydrophobicContact CE1-CB 4.48Å; F514-P545 HydrophobicContact CZ-CB 3.97Å; F514-P545 WeakPolarHBondContact CZ-O 3.37Å; V518-P545 HydrophobicContact CG1-CB 4.02Å; V518-P545 HydrophobicContact CG1-CG 3.79Å; R525-P545 HydrophobicContact CB-CB 3.99Å; R525-P545 HydrophobicContact CB-CG 3.96Å; F527-P545 HydrophobicContact CD1-CG 4.39Å; F527-P545 HydrophobicContact CD2-CG 3.78Å; F527-P545 HydrophobicContact CE1-CB 4.44Å; F527-P545 HydrophobicContact CE1-CG 4.3Å; F527-P545 HydrophobicContact CE2-CB 4.05Å; F527-P545 HydrophobicContact CE2-CG 3.66Å; F527-P545 HydrophobicContact CG-CG 4.14Å; F527-P545 HydrophobicContact CZ-CB 3.93Å; F527-P545 HydrophobicContact CZ-CG 3.92Å
546	A	92.6	Very high	94.4	Very high	88 Å²	88	66.6 Å²	66.6	73%	0.727	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.4	176.3	0	0	0	0	0	113.7	D544	D544-A546 PolarHBondContact O-N 3.31Å; D544-A546 VanDerWaalsContact O-N 3.12Å; D544-A546 PolarHBondContact OD1-N 3.03Å
547	S	94.8	Very high	94.5	Very high	47 Å²	47	58.7 Å²	58.7	33%	0.329	35%	0.345	S	S	.	.	S	Bend	trans	-90.9	-5.5	-177.5	71.6	0	0	0	0	114.9	K542 D544	K542-S547 WeakPolarHBondContact CD-O 3.47Å; K542-S547 PolarHBondContact NZ-O 3.15Å; D544-S547 PolarHBondContact O-N 3.13Å; D544-S547 PolarHBondContact O-OG 3.13Å
548	L	95.9	Very high	94.8	Very high	20 Å²	20	56 Å²	56	11%	0.105	34%	0.335	C	S	.	.			trans	-75.8	136.2	178.3	-62	-163	0	0	0	112	F514 F527 L535 I540 K542 E552 V553	F514-L548 HydrophobicContact CE2-CD1 4.09Å; F527-L548 HydrophobicContact CZ-CD1 3.74Å; F527-L548 HydrophobicContact CZ-CG 4.16Å; L535-L548 HydrophobicContact CD2-CD1 4.13Å; I540-L548 HydrophobicContact CG2-CD2 3.79Å; K542-L548 HydrophobicContact CB-CD2 3.68Å; K542-L548 HydrophobicContact CD-CD2 3.75Å; K542-L548 HydrophobicContact CG-CD2 4.37Å; L548-E552 VanDerWaalsContact CA-OE2 3.23Å; L548-E552 WeakPolarHBondContact CA-OE2 3.34Å; L548-E552 HydrophobicContact CB-CB 4.07Å; L548-E552 HydrophobicContact CD1-CB 4.45Å; L548-E552 HydrophobicContact CD2-CB 4.18Å; L548-E552 HydrophobicContact CG-CB 4.46Å; L548-V553 HydrophobicContact CB-CG2 3.67Å; L548-V553 HydrophobicContact CD1-CG2 4.2Å
549	T	96.4	Very high	95	Very high	53 Å²	53	53.4 Å²	53.4	33%	0.325	32%	0.321	S	S	.	.			trans	-73	165.2	168.5	78.9	0	0	0	0	110.8	E551 E552 V553	T549-E551 WeakPolarHBondContact CB-OE2 3.26Å; T549-E551 PolarHBondContact O-N 3.37Å; T549-E551 PolarHBondContact OG1-N 3.3Å; T549-E551 PolarHBondContact OG1-OE2 3.29Å; T549-E552 PolarHBondContact N-OE2 3.38Å; T549-E552 PolarHBondContact O-N 2.67Å; T549-E552 PolarHBondContact OG1-N 3.01Å; T549-V553 WeakPolarHBondContact O-CB 3.37Å; T549-V553 WeakPolarHBondContact O-CG2 3.5Å; T549-V553 PolarHBondContact O-N 2.96Å
550	P	96.1	Very high	94.9	Very high	95 Å²	95	53.9 Å²	53.9	62%	0.617	31%	0.309	S	S	*	.	H	α-helix	trans	-54.6	-33	175.5	-26.3	36.3	0	0	0	113.9	S554	P550-S554 WeakPolarHBondContact O-CB 3.44Å; P550-S554 PolarHBondContact O-N 2.8Å
551	E	95.6	Very high	94.8	Very high	126 Å²	126	53.7 Å²	53.7	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-76.7	-41.3	-178.3	-53.6	69.4	-146.2	0	0	111.6	T549 S554 S555	T549-E551 WeakPolarHBondContact CB-OE2 3.26Å; T549-E551 PolarHBondContact O-N 3.37Å; T549-E551 PolarHBondContact OG1-N 3.3Å; T549-E551 PolarHBondContact OG1-OE2 3.29Å; E551-S554 PolarHBondContact O-N 3.12Å; E551-S555 WeakPolarHBondContact O-CB 3.3Å; E551-S555 PolarHBondContact O-N 3.33Å; E551-S555 PolarHBondContact O-OG 3.12Å
552	E	96.6	Very high	94.8	Very high	39 Å²	39	49.1 Å²	49.1	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-38.4	170.8	-70.2	170.7	147.4	0	0	111.4	I540 K542 L548 T549 S555 F556	I540-E552 HydrophobicContact CD1-CB 3.95Å; I540-E552 HydrophobicContact CD1-CG 4.03Å; I540-E552 HydrophobicContact CG1-CG 4.26Å; K542-E552 WeakPolarHBondContact CD-OE1 3.36Å; K542-E552 WeakPolarHBondContact CE-OE1 3.5Å; K542-E552 IonicContact NZ-OE1 3.37Å; K542-E552 PolarHBondContact NZ-OE1 2.98Å; K542-E552 IonicContact NZ-OE2 2.68Å; K542-E552 PolarHBondContact NZ-OE2 2.86Å; L548-E552 VanDerWaalsContact CA-OE2 3.23Å; L548-E552 WeakPolarHBondContact CA-OE2 3.34Å; L548-E552 HydrophobicContact CB-CB 4.07Å; L548-E552 HydrophobicContact CD1-CB 4.45Å; L548-E552 HydrophobicContact CD2-CB 4.18Å; L548-E552 HydrophobicContact CG-CB 4.46Å; T549-E552 PolarHBondContact N-OE2 3.38Å; T549-E552 PolarHBondContact O-N 2.67Å; T549-E552 PolarHBondContact OG1-N 3.01Å; E552-S555 WeakPolarHBondContact CA-OG 3.45Å; E552-S555 PolarHBondContact O-OG 3.32Å; E552-F556 WeakPolarHBondContact O-CB 3.41Å; E552-F556 PolarHBondContact O-N 3.27Å
553	V	96.7	Very high	94.7	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.127	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-47.1	171.3	169	0	0	0	0	110.4	F514 L548 T549 F556 V557	F514-V553 HydrophobicContact CB-CG1 3.86Å; F514-V553 HydrophobicContact CD2-CG1 3.88Å; F514-V553 HydrophobicContact CD2-CG2 4.26Å; F514-V553 HydrophobicContact CE2-CG2 4.18Å; F514-V553 HydrophobicContact CG-CG1 3.9Å; F514-V553 HydrophobicContact CZ-CG2 4.39Å; L548-V553 HydrophobicContact CB-CG2 3.67Å; L548-V553 HydrophobicContact CD1-CG2 4.2Å; T549-V553 WeakPolarHBondContact O-CB 3.37Å; T549-V553 WeakPolarHBondContact O-CG2 3.5Å; T549-V553 PolarHBondContact O-N 2.96Å; V553-F556 PolarHBondContact O-N 3.17Å; V553-V557 HydrophobicContact CG1-CG1 4.45Å; V553-V557 WeakPolarHBondContact O-CG1 3.36Å; V553-V557 WeakPolarHBondContact O-CG2 3.35Å; V553-V557 PolarHBondContact O-N 3.35Å
554	S	95.9	Very high	94.6	Very high	39 Å²	39	48 Å²	48	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-56.2	-178.9	-166.2	0	0	0	0	111.4	D510 P550 E551 F556 V557 R558	D510-S554 WeakPolarHBondContact OD2-CA 3.47Å; D510-S554 WeakPolarHBondContact OD2-CB 3.48Å; D510-S554 PolarHBondContact OD2-OG 3.08Å; P550-S554 WeakPolarHBondContact O-CB 3.44Å; P550-S554 PolarHBondContact O-N 2.8Å; E551-S554 PolarHBondContact O-N 3.12Å; S554-F556 VanDerWaalsContact C-N 3.29Å; S554-F556 PolarHBondContact O-N 3.5Å; S554-V557 PolarHBondContact O-N 2.86Å; S554-V557 VanDerWaalsContact O-N 3.14Å; S554-R558 WeakPolarHBondContact O-CB 3.46Å; S554-R558 VanDerWaalsContact O-CG 3.26Å; S554-R558 WeakPolarHBondContact O-CG 3.38Å; S554-R558 PolarHBondContact O-N 2.85Å
555	S	94.3	Very high	94.5	Very high	47 Å²	47	48.8 Å²	48.8	33%	0.329	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-35.7	177	52.4	0	0	0	0	113	R534 L538 E551 E552	R534-S555 PolarHBondContact NH2-O 2.95Å; L538-S555 WeakPolarHBondContact CD1-O 3.46Å; E551-S555 WeakPolarHBondContact O-CB 3.3Å; E551-S555 PolarHBondContact O-N 3.33Å; E551-S555 PolarHBondContact O-OG 3.12Å; E552-S555 WeakPolarHBondContact CA-OG 3.45Å; E552-S555 PolarHBondContact O-OG 3.32Å
556	F	95.6	Very high	94.5	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-45.9	173.4	172.5	-105.3	0	0	0	113	F514 V518 F527 Q531 R534 L535 L538 E552 V553 S554	F514-F556 AromaticContact CD2-CD1 3.93Å; F514-F556 HydrophobicContact CD2-CD1 3.93Å; F514-F556 HydrophobicContact CD2-CE1 4.12Å; F514-F556 HydrophobicContact CE2-CD1 4.01Å; F514-F556 HydrophobicContact CE2-CE1 4.14Å; V518-F556 HydrophobicContact CG2-CE1 3.71Å; V518-F556 HydrophobicContact CG2-CZ 4.14Å; F527-F556 HydrophobicContact CD1-CE1 4.44Å; F527-F556 HydrophobicContact CD1-CE2 4.46Å; F527-F556 AromaticContact CD1-CZ 3.97Å; F527-F556 HydrophobicContact CD1-CZ 3.97Å; F527-F556 HydrophobicContact CE1-CD1 4.45Å; F527-F556 AromaticContact CE1-CE1 3.9Å; F527-F556 HydrophobicContact CE1-CE1 3.9Å; F527-F556 HydrophobicContact CE1-CE2 4.33Å; F527-F556 AromaticContact CE1-CZ 3.83Å; F527-F556 HydrophobicContact CE1-CZ 3.83Å; Q531-F556 HydrophobicContact CB-CE2 3.88Å; Q531-F556 HydrophobicContact CB-CZ 3.83Å; Q531-F556 HydrophobicContact CG-CE2 4.18Å; Q531-F556 HydrophobicContact CG-CZ 3.78Å; R534-F556 HydrophobicContact CG-CD2 4.44Å; R534-F556 PolarHBondContact NE-O 3Å; L535-F556 HydrophobicContact CD1-CE2 4.44Å; L535-F556 HydrophobicContact CD2-CB 4.05Å; L535-F556 HydrophobicContact CD2-CD2 3.5Å; L535-F556 VanDerWaalsContact CD2-CD2 3.5Å; L535-F556 HydrophobicContact CD2-CE2 4.21Å; L535-F556 HydrophobicContact CD2-CG 3.94Å; L535-F556 HydrophobicContact CG-CD2 3.71Å; L535-F556 HydrophobicContact CG-CE2 3.98Å; L538-F556 HydrophobicContact CD1-CB 4.35Å; E552-F556 WeakPolarHBondContact O-CB 3.41Å; E552-F556 PolarHBondContact O-N 3.27Å; V553-F556 PolarHBondContact O-N 3.17Å; S554-F556 VanDerWaalsContact C-N 3.29Å; S554-F556 PolarHBondContact O-N 3.5Å
557	V	95.9	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-85.7	-16.3	-175.2	-54	0	0	0	0	114.9	R501 D510 L513 F514 L517 V553 S554	R501-V557 PolarHBondContact NH2-O 2.88Å; D510-V557 HydrophobicContact CB-CG2 3.96Å; L513-V557 HydrophobicContact CB-CB 4.45Å; L513-V557 HydrophobicContact CB-CG2 4.48Å; L513-V557 HydrophobicContact CD2-CB 3.95Å; L513-V557 HydrophobicContact CD2-CG2 4.14Å; L513-V557 WeakPolarHBondContact CD2-O 3.48Å; L513-V557 HydrophobicContact CG-CB 4.1Å; F514-V557 HydrophobicContact CB-CG1 3.78Å; F514-V557 HydrophobicContact CD2-CG1 3.87Å; F514-V557 HydrophobicContact CG-CG1 4.35Å; L517-V557 HydrophobicContact CD1-CB 4.03Å; L517-V557 HydrophobicContact CD1-CG1 3.92Å; V553-V557 HydrophobicContact CG1-CG1 4.45Å; V553-V557 WeakPolarHBondContact O-CG1 3.36Å; V553-V557 WeakPolarHBondContact O-CG2 3.35Å; V553-V557 PolarHBondContact O-N 3.35Å; S554-V557 PolarHBondContact O-N 2.86Å; S554-V557 VanDerWaalsContact O-N 3.14Å
558	R	95.3	Very high	94.5	Very high	62 Å²	62	48.3 Å²	48.3	23%	0.234	27%	0.271	C	S	.	.			trans	-97.2	121.7	177.7	-61.1	-60.7	177.4	179.6	-6.1	111.7	E505 Q508 D510 R534 S554	E505-R558 VanDerWaalsContact C-NH1 3.3Å; E505-R558 VanDerWaalsContact CA-NH1 3.32Å; E505-R558 PolarHBondContact O-NH1 2.88Å; E505-R558 WeakPolarHBondContact OE2-CA 3.28Å; Q508-R558 PolarHBondContact O-NH2 2.99Å; D510-R558 IonicContact OD1-CZ 3.37Å; D510-R558 VanDerWaalsContact OD1-CZ 3.23Å; D510-R558 IonicContact OD1-NE 2.63Å; D510-R558 PolarHBondContact OD1-NE 2.79Å; D510-R558 IonicContact OD1-NH2 3.97Å; D510-R558 PolarHBondContact OD1-NH2 3.04Å; R534-R558 PolarHBondContact NH2-O 2.87Å; S554-R558 WeakPolarHBondContact O-CB 3.46Å; S554-R558 VanDerWaalsContact O-CG 3.26Å; S554-R558 WeakPolarHBondContact O-CG 3.38Å; S554-R558 PolarHBondContact O-N 2.85Å
559	L	95.4	Very high	94.5	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	28%	0.277	C	S	.	.			trans	-91.8	-25.6	160.5	-51.5	-167.9	0	0	0	110.8	R501 E505 F561 S632 V638 D642 L643	R501-L559 HydrophobicContact CG-CD1 3.87Å; R501-L559 HydrophobicContact CG-CG 4.26Å; E505-L559 VanDerWaalsContact CD-N 3.31Å; E505-L559 PolarHBondContact OE1-N 3.18Å; E505-L559 PolarHBondContact OE2-N 3.46Å; L559-F561 VanDerWaalsContact C-N 3.33Å; L559-F561 HydrophobicContact CB-CD2 4.26Å; L559-F561 HydrophobicContact CB-CE2 4.33Å; L559-F561 HydrophobicContact CD1-CE2 3.91Å; L559-F561 HydrophobicContact CD1-CZ 4.47Å; L559-F561 PolarHBondContact O-N 3.3Å; L559-S632 WeakPolarHBondContact O-CB 3.38Å; L559-V638 HydrophobicContact CB-CG1 4.23Å; L559-V638 HydrophobicContact CD1-CG1 3.73Å; L559-V638 HydrophobicContact CG-CG1 4.44Å; L559-D642 HydrophobicContact CD1-CB 4.21Å; L559-D642 HydrophobicContact CD2-CB 3.95Å; L559-L643 HydrophobicContact CD1-CD2 3.87Å; L559-L643 HydrophobicContact CD1-CG 4.24Å
560	D	93.8	Very high	94.6	Very high	74 Å²	74	49 Å²	49	40%	0.396	27%	0.269	S	S	.	.			trans	41.7	55.6	-178.1	-169.3	31.1	0	0	0	113.6	E505 D562 S632 R633	E505-D560 PolarHBondContact OE2-N 2.85Å; D560-D562 PolarHBondContact O-N 3.41Å; D560-S632 CarbonylContact O-C 3.6Å; D560-S632 WeakPolarHBondContact O-CA 3.24Å; D560-S632 WeakPolarHBondContact O-CB 3.44Å; D560-R633 PolarHBondContact O-N 3.32Å; D560-R633 WeakPolarHBondContact OD1-CD 3.44Å; D560-R633 IonicContact OD1-CZ 2.76Å; D560-R633 IonicContact OD1-NE 2.71Å; D560-R633 PolarHBondContact OD1-NE 3.42Å; D560-R633 WeakPolarHBondContact OD2-CB 3.29Å; D560-R633 VanDerWaalsContact OD2-CD 3.26Å; D560-R633 WeakPolarHBondContact OD2-CD 3.17Å; D560-R633 WeakPolarHBondContact OD2-CG 3.32Å; D560-R633 IonicContact OD2-NE 3.9Å
561	F	93.3	Very high	94.7	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.035	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-51.1	134.3	174.2	-85.1	-72.2	0	0	0	111.9	I498 M502 L559 P563 I566 V629 R633 V638 L643	I498-F561 HydrophobicContact CG1-CZ 4.42Å; I498-F561 HydrophobicContact CG2-CE2 4.38Å; I498-F561 HydrophobicContact CG2-CZ 4.28Å; M502-F561 HydrophobicContact CG-CB 4.19Å; M502-F561 HydrophobicContact CG-CD2 3.95Å; M502-F561 HydrophobicContact CG-CG 4.35Å; L559-F561 VanDerWaalsContact C-N 3.33Å; L559-F561 HydrophobicContact CB-CD2 4.26Å; L559-F561 HydrophobicContact CB-CE2 4.33Å; L559-F561 HydrophobicContact CD1-CE2 3.91Å; L559-F561 HydrophobicContact CD1-CZ 4.47Å; L559-F561 PolarHBondContact O-N 3.3Å; F561-P563 WeakPolarHBondContact O-CD 3.3Å; F561-I566 HydrophobicContact CD1-CG1 4.3Å; F561-V629 HydrophobicContact CE1-CG2 3.92Å; F561-V629 HydrophobicContact CZ-CG2 3.87Å; F561-R633 PolarHBondContact O-NH2 2.93Å; F561-R633 VanDerWaalsContact O-NH2 3.12Å; F561-V638 HydrophobicContact CD1-CB 4.28Å; F561-V638 HydrophobicContact CD1-CG1 4.46Å; F561-V638 HydrophobicContact CD1-CG2 4.2Å; F561-V638 HydrophobicContact CE1-CB 3.61Å; F561-V638 HydrophobicContact CE1-CG1 3.64Å; F561-V638 HydrophobicContact CE1-CG2 4.04Å; F561-V638 HydrophobicContact CE2-CG1 4.03Å; F561-V638 HydrophobicContact CZ-CB 3.93Å; F561-V638 HydrophobicContact CZ-CG1 3.38Å; F561-L643 HydrophobicContact CE2-CD2 3.96Å; F561-L643 HydrophobicContact CZ-CD1 4.47Å; F561-L643 HydrophobicContact CZ-CD2 4.23Å; F561-L643 HydrophobicContact CZ-CG 4.47Å
562	D	92.6	Very high	94.8	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.214	22%	0.223	C	C	.	.			trans	-80.9	116.5	156.1	-171.4	-32	0	0	0	108.9	D560 S564 Q565 S631 R633	D560-D562 PolarHBondContact O-N 3.41Å; D562-S564 PolarHBondContact O-N 3.32Å; D562-S564 VanDerWaalsContact O-N 3.14Å; D562-S564 VanDerWaalsContact OD1-CB 3.3Å; D562-S564 WeakPolarHBondContact OD1-CB 3.46Å; D562-S564 PolarHBondContact OD1-N 3.05Å; D562-S564 PolarHBondContact OD1-OG 2.88Å; D562-S564 PolarHBondContact OD2-OG 3.42Å; D562-Q565 HydrophobicContact CB-CB 4.2Å; D562-Q565 HydrophobicContact CB-CG 3.85Å; D562-Q565 PolarHBondContact O-N 3Å; D562-Q565 VanDerWaalsContact O-N 3.09Å; D562-S631 PolarHBondContact N-O 3.22Å; D562-R633 HydrophobicContact CB-CG 4.32Å
563	P	91.6	Very high	94.8	Very high	59 Å²	59	39.2 Å²	39.2	38%	0.383	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59	-25.1	179.1	-21.6	32.6	0	0	0	114.1	M502 F561	M502-P563 HydrophobicContact CE-CB 3.89Å; M502-P563 HydrophobicContact CE-CG 3.8Å; F561-P563 WeakPolarHBondContact O-CD 3.3Å
564	S	90.4	Very high	94.7	Very high	84 Å²	84	41.9 Å²	41.9	59%	0.587	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-77.3	-21.9	179.3	71.9	0	0	0	0	113.4	D562	D562-S564 PolarHBondContact O-N 3.32Å; D562-S564 VanDerWaalsContact O-N 3.14Å; D562-S564 VanDerWaalsContact OD1-CB 3.3Å; D562-S564 WeakPolarHBondContact OD1-CB 3.46Å; D562-S564 PolarHBondContact OD1-N 3.05Å; D562-S564 PolarHBondContact OD1-OG 2.88Å; D562-S564 PolarHBondContact OD2-OG 3.42Å
565	Q	91.2	Very high	94.6	Very high	99 Å²	99	40.3 Å²	40.3	46%	0.463	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-96.3	4.6	-177.9	-55.5	-52.9	-56.4	0	0	113	D562 T567 G630	D562-Q565 HydrophobicContact CB-CB 4.2Å; D562-Q565 HydrophobicContact CB-CG 3.85Å; D562-Q565 PolarHBondContact O-N 3Å; D562-Q565 VanDerWaalsContact O-N 3.09Å; Q565-T567 PolarHBondContact O-N 3.33Å; Q565-G630 WeakPolarHBondContact O-CA 3.31Å
566	I	93.9	Very high	94.7	Very high	23 Å²	23	40.7 Å²	40.7	12%	0.118	22%	0.221	C	C	.	.			trans	-74.1	107.3	179	-60.7	171.5	0	0	0	109.7	I498 M502 F561	I498-I566 HydrophobicContact CD1-CG2 4.48Å; I498-I566 HydrophobicContact CG2-CD1 3.92Å; I498-I566 HydrophobicContact CG2-CG2 4.32Å; M502-I566 HydrophobicContact CE-CD1 3.82Å; M502-I566 HydrophobicContact SD-CD1 3.41Å; M502-I566 WeakPolarHBondContact SD-CD1 3.38Å; F561-I566 HydrophobicContact CD1-CG1 4.3Å
567	T	92.1	Very high	94.7	Very high	96 Å²	96	46.2 Å²	46.2	59%	0.589	24%	0.242	S	C	*	.			trans	-84.3	-21.1	177.8	55.5	0	0	0	0	112.9	Q565 Q569 V629	Q565-T567 PolarHBondContact O-N 3.33Å; T567-Q569 PolarHBondContact O-N 3.34Å; T567-V629 PolarHBondContact N-O 3.43Å; T567-V629 PolarHBondContact OG1-O 3Å
568	W	96.6	Very high	94.7	Very high	15 Å²	15	54.4 Å²	54.4	6%	0.057	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-76.6	121.3	-172	-160.9	-97.6	0	0	0	113.5	N491 L494 I498 E606 I607 I627 V629	N491-W568 HydrophobicContact CB-CZ2 4.35Å; N491-W568 PolarHBondContact O-NE1 2.99Å; N491-W568 VanDerWaalsContact O-NE1 3.13Å; N491-W568 WeakPolarHBondContact OD1-CZ2 3.46Å; L494-W568 HydrophobicContact CD2-CD2 4.05Å; L494-W568 HydrophobicContact CD2-CE3 4.44Å; L494-W568 HydrophobicContact CD2-CH2 4.12Å; L494-W568 HydrophobicContact CD2-CZ2 3.68Å; L494-W568 HydrophobicContact CD2-CZ3 4.48Å; L494-W568 HydrophobicContact CG-CD2 4.43Å; L494-W568 HydrophobicContact CG-CZ2 4.45Å; I498-W568 HydrophobicContact CD1-CB 3.61Å; I498-W568 HydrophobicContact CD1-CG 3.98Å; W568-E606 HydrophobicContact CH2-CB 3.98Å; W568-E606 HydrophobicContact CZ3-CB 3.91Å; W568-I607 HydrophobicContact CH2-CG1 4.11Å; W568-I607 HydrophobicContact CZ2-CD1 4.23Å; W568-I607 HydrophobicContact CZ2-CG1 4.27Å; W568-I627 HydrophobicContact CE3-CG2 3.74Å; W568-I627 HydrophobicContact CH2-CD1 4.14Å; W568-I627 HydrophobicContact CH2-CG2 3.94Å; W568-I627 HydrophobicContact CZ3-CG2 3.33Å; W568-V629 HydrophobicContact CB-CB 3.86Å; W568-V629 HydrophobicContact CB-CG1 3.98Å; W568-V629 HydrophobicContact CD2-CG1 4.03Å; W568-V629 HydrophobicContact CE3-CG1 4.1Å; W568-V629 HydrophobicContact CG-CB 4.41Å; W568-V629 HydrophobicContact CG-CG1 3.98Å; W568-V629 PolarHBondContact N-O 3.4Å
569	Q	96.3	Very high	94.8	Very high	47 Å²	47	53.8 Å²	53.8	22%	0.22	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-99.3	165.4	175.8	-66.6	-161.5	83.9	0	0	112.2	N491 T567 D600	N491-Q569 PolarHBondContact ND2-O 3.39Å; T567-Q569 PolarHBondContact O-N 3.34Å; Q569-D600 PolarHBondContact NE2-OD1 3.49Å; Q569-D600 PolarHBondContact NE2-OD2 2.77Å
570	R	98.5	Very high	94.8	Very high	41 Å²	41	58.4 Å²	58.4	16%	0.155	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	171.2	166.8	-73.7	174.3	163.6	79.2	2.2	110	N492 A495 D499 G598 F599 D600	N492-R570 VanDerWaalsContact OD1-CA 3.31Å; N492-R570 WeakPolarHBondContact OD1-CA 3.27Å; N492-R570 WeakPolarHBondContact OD1-CB 3.43Å; A495-R570 HydrophobicContact CB-CG 3.59Å; D499-R570 IonicContact OD2-CZ 3.46Å; D499-R570 IonicContact OD2-NH1 2.97Å; D499-R570 PolarHBondContact OD2-NH1 3.44Å; D499-R570 IonicContact OD2-NH2 3.88Å; D499-R570 PolarHBondContact OD2-NH2 3.01Å; R570-G598 PolarHBondContact N-O 3.36Å; R570-F599 HydrophobicContact CB-CD1 3.7Å; R570-F599 HydrophobicContact CB-CD2 3.91Å; R570-F599 HydrophobicContact CB-CE1 3.6Å; R570-F599 HydrophobicContact CB-CE2 3.81Å; R570-F599 HydrophobicContact CB-CG 3.86Å; R570-F599 HydrophobicContact CB-CZ 3.65Å; R570-F599 HydrophobicContact CG-CE2 4.47Å; R570-F599 HydrophobicContact CG-CZ 4.3Å; R570-F599 VanDerWaalsContact O-CA 3.24Å; R570-F599 WeakPolarHBondContact O-CA 3.41Å; R570-D600 PolarHBondContact O-N 3Å
571	V	98.3	Very high	94.9	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.5	172.7	-59.4	0	0	0	0	113.9	T488 N491 N492 D600 A602	T488-V571 HydrophobicContact CG2-CG2 4.3Å; N491-V571 HydrophobicContact CB-CG2 3.68Å; N492-V571 PolarHBondContact ND2-O 3.49Å; N492-V571 PolarHBondContact OD1-N 3.06Å; V571-D600 WeakPolarHBondContact CA-O 3.47Å; V571-D600 WeakPolarHBondContact CB-O 3.35Å; V571-D600 HydrophobicContact CG1-CB 4.16Å; V571-A602 HydrophobicContact CB-CB 4.43Å; V571-A602 HydrophobicContact CG2-CB 4.21Å
572	V	97.6	Very high	95.1	Very high	39 Å²	39	63 Å²	63	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	144.9	170	61.9	0	0	0	0	108.4	T574 L579 F599 D600 I601 A602 M949	V572-T574 PolarHBondContact O-N 3.04Å; V572-T574 VanDerWaalsContact O-N 3.12Å; V572-L579 HydrophobicContact CG1-CD1 4.11Å; V572-F599 HydrophobicContact CB-CD1 4.19Å; V572-F599 HydrophobicContact CG1-CD1 3.99Å; V572-D600 PolarHBondContact N-O 3.41Å; V572-I601 VanDerWaalsContact O-CA 3.31Å; V572-I601 WeakPolarHBondContact O-CA 3.4Å; V572-A602 PolarHBondContact O-N 3.33Å; V572-A602 VanDerWaalsContact O-N 3.12Å; V572-M949 HydrophobicContact CG1-CE 3.64Å
573	D	95.6	Very high	95.3	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.064	32%	0.322	C	S	.	.	S	Bend	trans	-88.2	43.1	-179.2	-151.8	43.7	0	0	0	113.3	S451 Q452 G453 I484 A602	S451-D573 WeakPolarHBondContact CA-OD2 3.43Å; S451-D573 WeakPolarHBondContact CB-OD1 3.38Å; S451-D573 PolarHBondContact OG-OD1 3.03Å; S451-D573 PolarHBondContact OG-OD2 3.23Å; Q452-D573 WeakPolarHBondContact CB-OD2 3.31Å; Q452-D573 PolarHBondContact N-OD2 2.85Å; G453-D573 VanDerWaalsContact CA-O 3.22Å; G453-D573 WeakPolarHBondContact CA-O 3.45Å; G453-D573 PolarHBondContact N-O 3.42Å; I484-D573 HydrophobicContact CG2-CB 3.81Å; D573-A602 HydrophobicContact CB-CB 3.72Å
574	T	93.9	Very high	95.4	Very high	77 Å²	77	62.9 Å²	62.9	47%	0.472	31%	0.313	S	S	.	.	S	Bend	trans	-132.4	141.2	-176.4	-56.7	0	0	0	0	109.7	V572 D576	V572-T574 PolarHBondContact O-N 3.04Å; V572-T574 VanDerWaalsContact O-N 3.12Å; T574-D576 VanDerWaalsContact C-N 3.25Å; T574-D576 PolarHBondContact O-N 3.23Å
575	N	94.1	Very high	95.5	Very high	7 Å²	7	60 Å²	60	4%	0.037	30%	0.296	C	S	.	.			trans	-76	60.1	-177	-69.5	-12.6	0	0	0	113.9	G453 I601 P950 G951 L952	G453-N575 VanDerWaalsContact C-ND2 3.31Å; G453-N575 PolarHBondContact O-ND2 2.75Å; N575-I601 WeakPolarHBondContact OD1-CD1 3.26Å; N575-P950 CarbonylContact C-O 3.59Å; N575-P950 HydrophobicContact CB-CB 4.23Å; N575-G951 WeakPolarHBondContact O-CA 3.2Å; N575-L952 HydrophobicContact CB-CD2 4.23Å; N575-L952 HydrophobicContact CB-CG 4.28Å; N575-L952 PolarHBondContact O-N 3.04Å
576	D	95.9	Very high	95.7	Very high	54 Å²	54	62.4 Å²	62.4	29%	0.289	31%	0.307	S	S	.	.			trans	-96.8	99.3	-178.7	-166.6	-16.3	0	0	0	113.6	T574 F578 L579 M949	T574-D576 VanDerWaalsContact C-N 3.25Å; T574-D576 PolarHBondContact O-N 3.23Å; D576-F578 PolarHBondContact O-N 2.88Å; D576-F578 WeakPolarHBondContact OD1-CB 3.29Å; D576-F578 PolarHBondContact OD1-N 3.45Å; D576-L579 HydrophobicContact CB-CD1 4.06Å; D576-L579 HydrophobicContact CB-CG 4.16Å; D576-L579 PolarHBondContact O-N 3.14Å; D576-M949 WeakPolarHBondContact O-CG 3.28Å
577	R	95.6	Very high	95.6	Very high	123 Å²	123	63.8 Å²	63.8	46%	0.464	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.1	177	66.8	172.9	73.7	-159.2	4	114.8	R580 L952	R577-R580 VanDerWaalsContact O-CD 3.26Å; R577-R580 WeakPolarHBondContact O-CD 3.12Å; R577-R580 VanDerWaalsContact O-CG 3.32Å; R577-R580 WeakPolarHBondContact O-CG 3.18Å; R577-L952 PolarHBondContact NH2-O 3.31Å
578	F	96.4	Very high	95.5	Very high	171 Å²	171	64.6 Å²	64.6	75%	0.75	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-23.4	-177.9	-69.9	-79.9	0	0	0	112.5	D576 R580	D576-F578 PolarHBondContact O-N 2.88Å; D576-F578 WeakPolarHBondContact OD1-CB 3.29Å; D576-F578 PolarHBondContact OD1-N 3.45Å; F578-R580 PolarHBondContact O-N 2.7Å
579	L	97.4	Very high	95.1	Very high	49 Å²	49	69 Å²	69	26%	0.257	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.8	175.8	-59.8	178.3	0	0	0	113.8	V572 D576 K581 I582 G598 F599	V572-L579 HydrophobicContact CG1-CD1 4.11Å; D576-L579 HydrophobicContact CB-CD1 4.06Å; D576-L579 HydrophobicContact CB-CG 4.16Å; D576-L579 PolarHBondContact O-N 3.14Å; L579-K581 PolarHBondContact O-N 2.95Å; L579-K581 VanDerWaalsContact O-N 3.11Å; L579-I582 HydrophobicContact CD2-CG2 4.38Å; L579-G598 CarbonylContact O-C 3.56Å; L579-G598 WeakPolarHBondContact O-CA 3.45Å; L579-F599 HydrophobicContact CB-CB 3.76Å; L579-F599 HydrophobicContact CB-CD2 3.96Å; L579-F599 HydrophobicContact CB-CG 4Å; L579-F599 HydrophobicContact CD1-CD1 4.36Å; L579-F599 HydrophobicContact CD1-CD2 4.4Å; L579-F599 HydrophobicContact CD1-CG 4.21Å; L579-F599 HydrophobicContact CD2-CD2 4.5Å; L579-F599 PolarHBondContact O-N 3.47Å
580	R	95.8	Very high	94.7	Very high	107 Å²	107	69.9 Å²	69.9	40%	0.404	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.9	177.9	-75.8	176	-179.3	169.5	-2.4	114.7	R577 F578 S947 M949	R577-R580 VanDerWaalsContact O-CD 3.26Å; R577-R580 WeakPolarHBondContact O-CD 3.12Å; R577-R580 VanDerWaalsContact O-CG 3.32Å; R577-R580 WeakPolarHBondContact O-CG 3.18Å; F578-R580 PolarHBondContact O-N 2.7Å; R580-S947 PolarHBondContact NH2-OG 3.27Å; R580-S947 VanDerWaalsContact NH2-OG 3.09Å; R580-M949 HydrophobicContact CG-CB 3.87Å; R580-M949 HydrophobicContact CG-CG 3.96Å; R580-M949 VanDerWaalsContact CZ-O 3.25Å; R580-M949 PolarHBondContact NE-O 2.95Å; R580-M949 PolarHBondContact NH2-O 3.33Å
581	K	96.4	Very high	93.5	Very high	134 Å²	134	76.7 Å²	76.7	58%	0.583	40%	0.396	S	S	*	.	S	Bend	trans	-155.9	117.6	179.3	178.4	163.3	165.3	137.9	0	109.5	L579 E596 T597	L579-K581 PolarHBondContact O-N 2.95Å; L579-K581 VanDerWaalsContact O-N 3.11Å; K581-E596 WeakPolarHBondContact CE-OE1 3.23Å; K581-E596 WeakPolarHBondContact CE-OE2 3.4Å; K581-E596 HydrophobicContact CG-CG 4.35Å; K581-E596 IonicContact NZ-OE1 2.66Å; K581-E596 PolarHBondContact NZ-OE1 3.43Å; K581-E596 IonicContact NZ-OE2 3.54Å; K581-E596 PolarHBondContact NZ-OE2 3.36Å; K581-T597 CarbonylContact C-O 3.54Å; K581-T597 WeakPolarHBondContact CA-O 3.44Å
582	I	96.9	Very high	92.6	Very high	43 Å²	43	79.5 Å²	79.5	22%	0.221	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	167.5	-173.6	63.1	167.9	0	0	0	111	L579 V584 E596 T597 F599	L579-I582 HydrophobicContact CD2-CG2 4.38Å; I582-V584 HydrophobicContact CD1-CG1 4Å; I582-E596 WeakPolarHBondContact O-CA 3.4Å; I582-T597 HydrophobicContact CD1-CG2 4.05Å; I582-T597 HydrophobicContact CG1-CG2 3.73Å; I582-T597 PolarHBondContact N-O 3.13Å; I582-T597 PolarHBondContact O-N 2.94Å; I582-T597 VanDerWaalsContact O-O 3.09Å; I582-F599 HydrophobicContact CD1-CD2 3.92Å; I582-F599 HydrophobicContact CD1-CE2 3.65Å
583	T	95.7	Very high	92.1	Very high	67 Å²	67	81.1 Å²	81.1	41%	0.411	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.6	170.7	-55.7	0	0	0	0	109.8	Q586 I594 R595	T583-Q586 HydrophobicContact CG2-CG 4.36Å; T583-I594 HydrophobicContact CG2-CB 4.27Å; T583-R595 WeakPolarHBondContact CA-O 3.47Å
584	V	95.1	Very high	91.9	Very high	31 Å²	31	85.6 Å²	85.6	19%	0.188	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	169.2	177.4	-65.1	0	0	0	0	111.5	I582 I594 R595 T597	I582-V584 HydrophobicContact CD1-CG1 4Å; V584-I594 VanDerWaalsContact O-CA 3.3Å; V584-I594 WeakPolarHBondContact O-CA 3.36Å; V584-R595 HydrophobicContact CG2-CG 3.68Å; V584-R595 PolarHBondContact N-O 3.06Å; V584-R595 PolarHBondContact O-N 3.36Å; V584-T597 HydrophobicContact CB-CG2 4.46Å; V584-T597 HydrophobicContact CG1-CG2 3.68Å; V584-T597 HydrophobicContact CG2-CG2 3.96Å
585	G	93	Very high	91.8	Very high	22 Å²	22	83 Å²	83	23%	0.227	43%	0.434	C	S	.	.			trans	79.9	16.9	176.8	0	0	0	0	0	115.6	A587 I594	G585-A587 VanDerWaalsContact C-N 3.31Å; G585-A587 PolarHBondContact O-N 3.48Å; G585-I594 WeakPolarHBondContact O-CG2 3.38Å
586	Q	93.6	Very high	91.8	Very high	150 Å²	150	88.3 Å²	88.3	70%	0.701	46%	0.459	S	S	*	.			trans	-75.7	-9.7	-173.2	-64.9	-171.2	-11.7	0	0	115.4	T583 I594	T583-Q586 HydrophobicContact CG2-CG 4.36Å; Q586-I594 HydrophobicContact CG-CG2 4.46Å
587	A	92.1	Very high	91.8	Very high	53 Å²	53	86.5 Å²	86.5	44%	0.438	45%	0.45	S	S	.	.	S	Bend	trans	-73.2	156.3	179.5	0	0	0	0	0	112	G585 T589 E590 K591	G585-A587 VanDerWaalsContact C-N 3.31Å; G585-A587 PolarHBondContact O-N 3.48Å; A587-T589 PolarHBondContact O-N 3.31Å; A587-E590 WeakPolarHBondContact CB-OE2 3.34Å; A587-E590 PolarHBondContact O-N 3.01Å; A587-E590 VanDerWaalsContact O-N 3.14Å; A587-K591 PolarHBondContact O-N 2.97Å
588	S	90.6	Very high	91.9	Very high	112 Å²	112	80.6 Å²	80.6	78%	0.783	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.5	-175	51.8	0	0	0	0	114.2	K591	S588-K591 WeakPolarHBondContact O-CB 3.45Å
589	T	87.4	Confident	92	Very high	108 Å²	108	74.2 Å²	74.2	66%	0.663	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.9	173.3	30.2	0	0	0	0	113	A587	A587-T589 PolarHBondContact O-N 3.31Å
590	E	88.4	Confident	91.9	Very high	66 Å²	66	73.1 Å²	73.1	31%	0.308	39%	0.394	S	S	.	.	S	Bend	trans	-99.2	16.3	-179.6	-69.1	62.9	-131.8	0	0	111.9	A587 G592 Q593	A587-E590 WeakPolarHBondContact CB-OE2 3.34Å; A587-E590 PolarHBondContact O-N 3.01Å; A587-E590 VanDerWaalsContact O-N 3.14Å; E590-G592 PolarHBondContact O-N 3.12Å; E590-G592 VanDerWaalsContact O-N 3.13Å; E590-Q593 WeakPolarHBondContact O-CB 3.31Å; E590-Q593 PolarHBondContact O-N 2.98Å
591	K	73.8	Confident	91.9	Very high	184 Å²	184	68.1 Å²	68.1	80%	0.8	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	116.9	-171.7	-177.4	-179.6	179.4	-177.9	0	112.7	A587 S588	A587-K591 PolarHBondContact O-N 2.97Å; S588-K591 WeakPolarHBondContact O-CB 3.45Å
592	G	79.1	Confident	92	Very high	61 Å²	61	61.7 Å²	61.7	63%	0.629	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-7.9	-179.6	0	0	0	0	0	114.6	E590	E590-G592 PolarHBondContact O-N 3.12Å; E590-G592 VanDerWaalsContact O-N 3.13Å
593	Q	86.8	Confident	91.9	Very high	72 Å²	72	59.9 Å²	59.9	34%	0.336	34%	0.338	S	S	.	.			trans	-103.8	43.7	174.8	-55.5	-57	-47.2	0	0	111.4	L503 E590	L503-Q593 HydrophobicContact CD1-CB 4.46Å; L503-Q593 HydrophobicContact CD1-CG 3.79Å; E590-Q593 WeakPolarHBondContact O-CB 3.31Å; E590-Q593 PolarHBondContact O-N 2.98Å
594	I	91.3	Very high	91.9	Very high	106 Å²	106	57.3 Å²	57.3	54%	0.544	32%	0.323	S	S	.	.			trans	-78.6	143.9	172.2	58	171.7	0	0	0	110.5	T583 V584 G585 Q586	T583-I594 HydrophobicContact CG2-CB 4.27Å; V584-I594 VanDerWaalsContact O-CA 3.3Å; V584-I594 WeakPolarHBondContact O-CA 3.36Å; G585-I594 WeakPolarHBondContact O-CG2 3.38Å; Q586-I594 HydrophobicContact CG-CG2 4.46Å
595	R	91.8	Very high	92	Very high	23 Å²	23	56.1 Å²	56.1	9%	0.087	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.1	165.1	74.1	169.5	179	115.5	-10.1	112.8	D499 T583 V584 T597	D499-R595 IonicContact OD1-CZ 2.66Å; D499-R595 IonicContact OD1-NE 2.62Å; D499-R595 PolarHBondContact OD1-NE 2.85Å; D499-R595 IonicContact OD1-NH2 3.61Å; D499-R595 PolarHBondContact OD1-NH2 3.13Å; D499-R595 IonicContact OD2-NH2 2.66Å; T583-R595 WeakPolarHBondContact CA-O 3.47Å; V584-R595 HydrophobicContact CG2-CG 3.68Å; V584-R595 PolarHBondContact N-O 3.06Å; V584-R595 PolarHBondContact O-N 3.36Å; R595-T597 PolarHBondContact NH1-OG1 2.9Å
596	E	94.8	Very high	92.2	Very high	119 Å²	119	55.9 Å²	55.9	56%	0.556	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.5	165.5	-167	176.3	103.8	0	0	110.1	K581 I582	K581-E596 WeakPolarHBondContact CE-OE1 3.23Å; K581-E596 WeakPolarHBondContact CE-OE2 3.4Å; K581-E596 HydrophobicContact CG-CG 4.35Å; K581-E596 IonicContact NZ-OE1 2.66Å; K581-E596 PolarHBondContact NZ-OE1 3.43Å; K581-E596 IonicContact NZ-OE2 3.54Å; K581-E596 PolarHBondContact NZ-OE2 3.36Å; I582-E596 WeakPolarHBondContact O-CA 3.4Å
597	T	95.9	Very high	92.5	Very high	15 Å²	15	48.8 Å²	48.8	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-171.9	177.5	-166.5	0	0	0	0	109.5	K581 I582 V584 R595	K581-T597 CarbonylContact C-O 3.54Å; K581-T597 WeakPolarHBondContact CA-O 3.44Å; I582-T597 HydrophobicContact CD1-CG2 4.05Å; I582-T597 HydrophobicContact CG1-CG2 3.73Å; I582-T597 PolarHBondContact N-O 3.13Å; I582-T597 PolarHBondContact O-N 2.94Å; I582-T597 VanDerWaalsContact O-O 3.09Å; V584-T597 HydrophobicContact CB-CG2 4.46Å; V584-T597 HydrophobicContact CG1-CG2 3.68Å; V584-T597 HydrophobicContact CG2-CG2 3.96Å; R595-T597 PolarHBondContact NH1-OG1 2.9Å
598	G	97.2	Very high	92.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.			trans	-156.7	-178.2	175	0	0	0	0	0	112.3	R570 L579	R570-G598 PolarHBondContact N-O 3.36Å; L579-G598 CarbonylContact O-C 3.56Å; L579-G598 WeakPolarHBondContact O-CA 3.45Å
599	F	98.1	Very high	93.2	Very high	37 Å²	37	41.1 Å²	41.1	16%	0.162	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.6	169	-75.7	-115.9	0	0	0	110.5	R570 V572 L579 I582 M949	R570-F599 HydrophobicContact CB-CD1 3.7Å; R570-F599 HydrophobicContact CB-CD2 3.91Å; R570-F599 HydrophobicContact CB-CE1 3.6Å; R570-F599 HydrophobicContact CB-CE2 3.81Å; R570-F599 HydrophobicContact CB-CG 3.86Å; R570-F599 HydrophobicContact CB-CZ 3.65Å; R570-F599 HydrophobicContact CG-CE2 4.47Å; R570-F599 HydrophobicContact CG-CZ 4.3Å; R570-F599 VanDerWaalsContact O-CA 3.24Å; R570-F599 WeakPolarHBondContact O-CA 3.41Å; V572-F599 HydrophobicContact CB-CD1 4.19Å; V572-F599 HydrophobicContact CG1-CD1 3.99Å; L579-F599 HydrophobicContact CB-CB 3.76Å; L579-F599 HydrophobicContact CB-CD2 3.96Å; L579-F599 HydrophobicContact CB-CG 4Å; L579-F599 HydrophobicContact CD1-CD1 4.36Å; L579-F599 HydrophobicContact CD1-CD2 4.4Å; L579-F599 HydrophobicContact CD1-CG 4.21Å; L579-F599 HydrophobicContact CD2-CD2 4.5Å; L579-F599 PolarHBondContact O-N 3.47Å; I582-F599 HydrophobicContact CD1-CD2 3.92Å; I582-F599 HydrophobicContact CD1-CE2 3.65Å; F599-M949 HydrophobicContact CB-CE 4.03Å; F599-M949 WeakPolarHBondContact O-CB 3.47Å
600	D	96.6	Very high	93.7	Very high	26 Å²	26	36 Å²	36	14%	0.139	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	164.5	163.2	-62.8	-43.1	0	0	0	110.2	Q569 R570 V571 V572 A604 T948 M949	Q569-D600 PolarHBondContact NE2-OD1 3.49Å; Q569-D600 PolarHBondContact NE2-OD2 2.77Å; R570-D600 PolarHBondContact O-N 3Å; V571-D600 WeakPolarHBondContact CA-O 3.47Å; V571-D600 WeakPolarHBondContact CB-O 3.35Å; V571-D600 HydrophobicContact CG1-CB 4.16Å; V572-D600 PolarHBondContact N-O 3.41Å; D600-A604 HydrophobicContact CB-CB 4.31Å; D600-T948 WeakPolarHBondContact OD1-CB 3.25Å; D600-T948 PolarHBondContact OD1-OG1 3.39Å; D600-M949 WeakPolarHBondContact O-CE 3.33Å
601	I	95.9	Very high	94.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.5	171.9	-158.8	171.1	0	0	0	109.8	S451 V572 N575 V603 A604 F677 T948 M949 P950	S451-I601 VanDerWaalsContact OG-CD1 3.31Å; S451-I601 WeakPolarHBondContact OG-CD1 3.48Å; V572-I601 VanDerWaalsContact O-CA 3.31Å; V572-I601 WeakPolarHBondContact O-CA 3.4Å; N575-I601 WeakPolarHBondContact OD1-CD1 3.26Å; I601-V603 VanDerWaalsContact C-N 3.26Å; I601-V603 HydrophobicContact CG2-CG2 3.77Å; I601-V603 PolarHBondContact O-N 2.89Å; I601-V603 VanDerWaalsContact O-N 3.12Å; I601-A604 HydrophobicContact CG2-CB 3.86Å; I601-A604 WeakPolarHBondContact O-CA 3.39Å; I601-A604 VanDerWaalsContact O-CB 3.3Å; I601-A604 WeakPolarHBondContact O-CB 3.36Å; I601-A604 PolarHBondContact O-N 3.39Å; I601-F677 HydrophobicContact CG2-CE1 3.76Å; I601-F677 HydrophobicContact CG2-CE2 4.4Å; I601-F677 HydrophobicContact CG2-CZ 3.59Å; I601-T948 WeakPolarHBondContact CG2-O 3.25Å; I601-T948 PolarHBondContact N-O 3.08Å; I601-M949 HydrophobicContact CB-SD 4.44Å; I601-P950 HydrophobicContact CD1-CG 4.15Å
602	A	97.1	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-55	-37.9	-171.8	0	0	0	0	0	114.3	I484 T488 V571 V572 D573 A604 S605	I484-A602 HydrophobicContact CG2-CB 3.54Å; T488-A602 WeakPolarHBondContact OG1-CB 3.41Å; V571-A602 HydrophobicContact CB-CB 4.43Å; V571-A602 HydrophobicContact CG2-CB 4.21Å; V572-A602 PolarHBondContact O-N 3.33Å; V572-A602 VanDerWaalsContact O-N 3.12Å; D573-A602 HydrophobicContact CB-CB 3.72Å; A602-A604 PolarHBondContact O-N 2.65Å; A602-S605 VanDerWaalsContact O-CB 3.27Å; A602-S605 WeakPolarHBondContact O-CB 3.4Å; A602-S605 PolarHBondContact O-N 3.22Å; A602-S605 VanDerWaalsContact O-N 3.15Å
603	V	94.9	Very high	96.3	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-72	-6.1	176.6	-59.2	0	0	0	0	115.1	I484 I601 M608 F677	I484-V603 HydrophobicContact CD1-CG1 3.77Å; I484-V603 HydrophobicContact CG1-CG1 4.3Å; I484-V603 HydrophobicContact CG2-CG1 4.48Å; I601-V603 VanDerWaalsContact C-N 3.26Å; I601-V603 HydrophobicContact CG2-CG2 3.77Å; I601-V603 PolarHBondContact O-N 2.89Å; I601-V603 VanDerWaalsContact O-N 3.12Å; V603-M608 HydrophobicContact CB-CE 4.34Å; V603-M608 HydrophobicContact CG1-CE 3.84Å; V603-F677 HydrophobicContact CG2-CD1 3.76Å; V603-F677 HydrophobicContact CG2-CE1 3.54Å; V603-F677 PolarHBondContact O-N 3.16Å
604	A	95.6	Very high	96.9	Very high	13 Å²	13	17.8 Å²	17.8	11%	0.107	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-92.8	-8.2	171.1	0	0	0	0	0	113.3	D600 I601 A602 F677 I680	D600-A604 HydrophobicContact CB-CB 4.31Å; I601-A604 HydrophobicContact CG2-CB 3.86Å; I601-A604 WeakPolarHBondContact O-CA 3.39Å; I601-A604 VanDerWaalsContact O-CB 3.3Å; I601-A604 WeakPolarHBondContact O-CB 3.36Å; I601-A604 PolarHBondContact O-N 3.39Å; A602-A604 PolarHBondContact O-N 2.65Å; A604-F677 HydrophobicContact CB-CD2 4.18Å; A604-F677 HydrophobicContact CB-CE2 4.34Å; A604-F677 HydrophobicContact CB-CG 4.33Å; A604-I680 HydrophobicContact CB-CD1 4.01Å
605	S	97.4	Very high	97.1	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.042	8%	0.079	C	C	.	.	S	Bend	trans	-58.5	143.4	176.1	179.5	0	0	0	0	112.3	N491 A602 I607 M608 A609	N491-S605 WeakPolarHBondContact OD1-CB 3.34Å; N491-S605 PolarHBondContact OD1-OG 3.44Å; A602-S605 VanDerWaalsContact O-CB 3.27Å; A602-S605 WeakPolarHBondContact O-CB 3.4Å; A602-S605 PolarHBondContact O-N 3.22Å; A602-S605 VanDerWaalsContact O-N 3.15Å; S605-I607 PolarHBondContact O-N 2.78Å; S605-I607 PolarHBondContact OG-N 2.88Å; S605-M608 WeakPolarHBondContact O-CB 3.48Å; S605-M608 PolarHBondContact O-N 3.03Å; S605-A609 PolarHBondContact O-N 2.79Å
606	E	98.4	Very high	97.4	Very high	18 Å²	18	16.2 Å²	16.2	8%	0.084	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-29.1	168	178.1	168.6	-175.7	0	0	111.9	W568 M608 A609 I610 S933 V934 G935 A936	W568-E606 HydrophobicContact CH2-CB 3.98Å; W568-E606 HydrophobicContact CZ3-CB 3.91Å; E606-M608 VanDerWaalsContact C-N 3.26Å; E606-M608 PolarHBondContact O-N 3.34Å; E606-A609 CarbonylContact O-C 3.55Å; E606-A609 WeakPolarHBondContact O-CA 3.47Å; E606-A609 WeakPolarHBondContact O-CB 3.31Å; E606-A609 PolarHBondContact O-N 3.26Å; E606-I610 HydrophobicContact CG-CD1 3.93Å; E606-I610 HydrophobicContact CG-CG1 4.19Å; E606-I610 WeakPolarHBondContact O-CG1 3.26Å; E606-I610 PolarHBondContact O-N 3.33Å; E606-S933 VanDerWaalsContact CD-CA 3.5Å; E606-S933 VanDerWaalsContact CD-CB 3.42Å; E606-S933 VanDerWaalsContact OE1-CA 3.29Å; E606-S933 WeakPolarHBondContact OE1-CA 3.28Å; E606-S933 WeakPolarHBondContact OE1-CB 3.36Å; E606-S933 WeakPolarHBondContact OE2-CA 3.32Å; E606-V934 PolarHBondContact OE1-N 3.19Å; E606-V934 VanDerWaalsContact OE1-N 3.12Å; E606-G935 VanDerWaalsContact OE1-CA 3.25Å; E606-G935 WeakPolarHBondContact OE1-CA 3.45Å; E606-G935 PolarHBondContact OE1-N 2.86Å; E606-A936 HydrophobicContact CG-CB 4.05Å; E606-A936 PolarHBondContact OE1-N 2.87Å
607	I	98.7	Very high	97.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-32	176	-60.8	-176.9	0	0	0	111.2	I487 A490 N491 W568 S605 I610 L611 L624 I627 M653	I487-I607 HydrophobicContact CG1-CG2 4.24Å; I487-I607 HydrophobicContact CG2-CB 4.29Å; I487-I607 HydrophobicContact CG2-CG2 4.35Å; A490-I607 HydrophobicContact CB-CD1 3.83Å; N491-I607 HydrophobicContact CB-CD1 4.22Å; W568-I607 HydrophobicContact CH2-CG1 4.11Å; W568-I607 HydrophobicContact CZ2-CD1 4.23Å; W568-I607 HydrophobicContact CZ2-CG1 4.27Å; S605-I607 PolarHBondContact O-N 2.78Å; S605-I607 PolarHBondContact OG-N 2.88Å; I607-I610 PolarHBondContact O-N 2.81Å; I607-L611 WeakPolarHBondContact O-CB 3.5Å; I607-L611 PolarHBondContact O-N 2.99Å; I607-L624 HydrophobicContact CD1-CD2 4.23Å; I607-L624 HydrophobicContact CG1-CD2 4Å; I607-L624 HydrophobicContact CG2-CD2 4.11Å; I607-I627 HydrophobicContact CD1-CD1 4.49Å; I607-I627 HydrophobicContact CG1-CD1 3.98Å; I607-M653 HydrophobicContact CG2-CE 4.1Å; I607-M653 HydrophobicContact CG2-CG 4.24Å; I607-M653 HydrophobicContact CG2-SD 3.88Å
608	M	98.6	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.6	-39.7	171.2	-179.7	56.6	96.8	0	0	111.7	I484 I487 V603 S605 E606 L611 A612 A674 G675 P676	I484-M608 HydrophobicContact CD1-CE 4.44Å; I484-M608 HydrophobicContact CG1-CE 3.86Å; I487-M608 HydrophobicContact CD1-CB 4.08Å; I487-M608 HydrophobicContact CD1-CE 3.39Å; I487-M608 HydrophobicContact CD1-CG 4.39Å; I487-M608 HydrophobicContact CD1-SD 3.52Å; I487-M608 VanDerWaalsContact CD1-SD 3.52Å; I487-M608 HydrophobicContact CG2-CB 4.47Å; V603-M608 HydrophobicContact CB-CE 4.34Å; V603-M608 HydrophobicContact CG1-CE 3.84Å; S605-M608 WeakPolarHBondContact O-CB 3.48Å; S605-M608 PolarHBondContact O-N 3.03Å; E606-M608 VanDerWaalsContact C-N 3.26Å; E606-M608 PolarHBondContact O-N 3.34Å; M608-L611 PolarHBondContact O-N 3.38Å; M608-L611 HydrophobicContact SD-CD2 4.37Å; M608-A612 WeakPolarHBondContact O-CB 3.22Å; M608-A612 PolarHBondContact O-N 3.21Å; M608-A612 VanDerWaalsContact O-N 3.07Å; M608-A674 HydrophobicContact SD-CB 3.84Å; M608-G675 PolarHBondContact SD-N 3.14Å; M608-P676 HydrophobicContact CG-CB 4.06Å
609	A	98.4	Very high	97.6	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-68.2	-35	175.2	0	0	0	0	0	112.5	S605 E606 A612 L613 A681 A936 F938	S605-A609 PolarHBondContact O-N 2.79Å; E606-A609 CarbonylContact O-C 3.55Å; E606-A609 WeakPolarHBondContact O-CA 3.47Å; E606-A609 WeakPolarHBondContact O-CB 3.31Å; E606-A609 PolarHBondContact O-N 3.26Å; A609-A612 PolarHBondContact O-N 2.89Å; A609-L613 WeakPolarHBondContact O-CB 3.04Å; A609-L613 WeakPolarHBondContact O-CG 3.21Å; A609-L613 PolarHBondContact O-N 2.92Å; A609-L613 VanDerWaalsContact O-N 3.08Å; A609-A681 HydrophobicContact CB-CB 4.16Å; A609-A936 HydrophobicContact CB-CB 3.79Å; A609-F938 HydrophobicContact CB-CE1 4.13Å; A609-F938 HydrophobicContact CB-CZ 4.09Å
610	I	98.8	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-48.1	172.9	-73.2	169.9	0	0	0	111	E606 I607 A612 L613 A614 M620 R623 L624 I627 A936	E606-I610 HydrophobicContact CG-CD1 3.93Å; E606-I610 HydrophobicContact CG-CG1 4.19Å; E606-I610 WeakPolarHBondContact O-CG1 3.26Å; E606-I610 PolarHBondContact O-N 3.33Å; I607-I610 PolarHBondContact O-N 2.81Å; I610-A612 PolarHBondContact O-N 3.12Å; I610-L613 PolarHBondContact O-N 3.41Å; I610-L613 VanDerWaalsContact O-N 3.14Å; I610-A614 WeakPolarHBondContact O-CB 3.27Å; I610-A614 PolarHBondContact O-N 2.8Å; I610-M620 HydrophobicContact CG2-CG 4.01Å; I610-R623 HydrophobicContact CB-CB 4.39Å; I610-R623 HydrophobicContact CD1-CB 4.19Å; I610-R623 HydrophobicContact CG1-CB 4.03Å; I610-R623 HydrophobicContact CG2-CB 3.57Å; I610-R623 HydrophobicContact CG2-CG 4.45Å; I610-L624 HydrophobicContact CD1-CD2 4.27Å; I610-L624 HydrophobicContact CG2-CD2 4.29Å; I610-L624 HydrophobicContact CG2-CG 4.3Å; I610-I627 HydrophobicContact CD1-CD1 3.7Å; I610-I627 HydrophobicContact CD1-CG1 3.58Å; I610-A936 HydrophobicContact CG1-CB 4.06Å
611	L	98.8	Very high	97.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-56.3	-42	175.8	174.9	61.5	0	0	0	111.4	I487 I607 M608 M620 M653 A656 I657 A674	I487-L611 HydrophobicContact CD1-CD2 3.91Å; I607-L611 WeakPolarHBondContact O-CB 3.5Å; I607-L611 PolarHBondContact O-N 2.99Å; M608-L611 PolarHBondContact O-N 3.38Å; M608-L611 HydrophobicContact SD-CD2 4.37Å; L611-M620 HydrophobicContact CD1-SD 4.46Å; L611-M653 HydrophobicContact CB-CE 4.19Å; L611-M653 HydrophobicContact CD1-CE 4.22Å; L611-M653 HydrophobicContact CD2-CE 4.07Å; L611-M653 HydrophobicContact CG-CE 4.38Å; L611-A656 WeakPolarHBondContact CD1-O 3.29Å; L611-I657 HydrophobicContact CD1-CB 4.42Å; L611-I657 HydrophobicContact CD1-CG1 4.29Å; L611-A674 HydrophobicContact CD2-CB 4.07Å; L611-A674 HydrophobicContact CG-CB 4.06Å
612	A	98.5	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72	-26.1	179.4	0	0	0	0	0	114.2	M608 A609 I610 A674 P676 H682 S686 V687	M608-A612 WeakPolarHBondContact O-CB 3.22Å; M608-A612 PolarHBondContact O-N 3.21Å; M608-A612 VanDerWaalsContact O-N 3.07Å; A609-A612 PolarHBondContact O-N 2.89Å; I610-A612 PolarHBondContact O-N 3.12Å; A612-A674 HydrophobicContact CB-CB 3.75Å; A612-P676 HydrophobicContact CB-CG 3.75Å; A612-H682 VanDerWaalsContact CB-CE1 3.47Å; A612-H682 WeakPolarHBondContact CB-CE1 3.43Å; A612-S686 CarbonylContact O-C 3.51Å; A612-S686 WeakPolarHBondContact O-CA 3.45Å; A612-V687 WeakPolarHBondContact O-CG2 3.31Å; A612-V687 PolarHBondContact O-N 3.24Å
613	L	98.8	Very high	97.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-104.9	-8.9	-177.4	-66.6	175.9	0	0	0	115.2	A609 I610 R623 H682 I721 K722 A725 A936 F938	A609-L613 WeakPolarHBondContact O-CB 3.04Å; A609-L613 WeakPolarHBondContact O-CG 3.21Å; A609-L613 PolarHBondContact O-N 2.92Å; A609-L613 VanDerWaalsContact O-N 3.08Å; I610-L613 PolarHBondContact O-N 3.41Å; I610-L613 VanDerWaalsContact O-N 3.14Å; L613-R623 PolarHBondContact O-NH2 2.98Å; L613-R623 VanDerWaalsContact O-NH2 3.15Å; L613-H682 VanDerWaalsContact CG-CE1 3.45Å; L613-H682 WeakPolarHBondContact CG-CE1 3.37Å; L613-I721 HydrophobicContact CD1-CG2 3.87Å; L613-I721 HydrophobicContact CD2-CG2 4.19Å; L613-K722 HydrophobicContact CD2-CB 4.28Å; L613-A725 HydrophobicContact CB-CB 4.34Å; L613-A725 HydrophobicContact CD2-CB 3.99Å; L613-A936 HydrophobicContact CD1-CB 4.44Å; L613-A936 WeakPolarHBondContact CD1-O 3.3Å; L613-F938 HydrophobicContact CD1-CD1 4.04Å; L613-F938 HydrophobicContact CD1-CE1 3.97Å
614	A	98.5	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.			trans	-66.6	138	178	0	0	0	0	0	111.9	I610 D619 M620	I610-A614 WeakPolarHBondContact O-CB 3.27Å; I610-A614 PolarHBondContact O-N 2.8Å; A614-D619 WeakPolarHBondContact CA-OD2 3.31Å; A614-M620 HydrophobicContact CB-CB 3.72Å; A614-M620 HydrophobicContact CB-CG 4.22Å
615	D	96.4	Very high	98.1	Very high	60 Å²	60	29.2 Å²	29.2	32%	0.321	15%	0.147	S	C	.	.	S	Bend	trans	-94.5	-11.3	175.7	80.7	-5.5	0	0	0	114.4	D619 V687 L688	D615-D619 PolarHBondContact N-OD2 3.22Å; D615-D619 WeakPolarHBondContact OD1-CB 3.32Å; D615-V687 HydrophobicContact CB-CG1 4.5Å; D615-L688 VanDerWaalsContact O-CD2 3.22Å; D615-L688 WeakPolarHBondContact O-CD2 3.49Å
616	S	97.6	Very high	98.1	Very high	36 Å²	36	34.2 Å²	34.2	25%	0.252	17%	0.165	S	C	.	.	S	Bend	trans	-169.5	164.7	-170.8	60.8	0	0	0	0	110.7	K618 D619 M620	S616-K618 PolarHBondContact O-N 3.17Å; S616-D619 PolarHBondContact O-N 3Å; S616-D619 WeakPolarHBondContact OG-CB 3.31Å; S616-D619 PolarHBondContact OG-N 2.91Å; S616-M620 PolarHBondContact O-N 3.05Å
617	L	97	Very high	98.1	Very high	86 Å²	86	33.4 Å²	33.4	45%	0.45	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-31.9	172.1	179.9	58.2	0	0	0	112.5	M620 K621 I657	L617-M620 HydrophobicContact CD1-CE 3.83Å; L617-K621 PolarHBondContact O-N 2.73Å; L617-K621 VanDerWaalsContact O-N 3.09Å; L617-I657 VanDerWaalsContact CA-CD1 3.49Å; L617-I657 HydrophobicContact CB-CD1 4.07Å; L617-I657 HydrophobicContact CD1-CD1 4.14Å
618	K	97.4	Very high	98	Very high	161 Å²	161	34.5 Å²	34.5	70%	0.7	17%	0.168	S	C	*	.	H	α-helix	trans	-68.4	-48.2	176.1	-175.9	179.2	176.4	-175.5	0	111.2	S616 K621 N622	S616-K618 PolarHBondContact O-N 3.17Å; K618-K621 PolarHBondContact O-N 2.78Å; K618-N622 PolarHBondContact O-N 3.28Å; K618-N622 PolarHBondContact O-ND2 3.17Å; K618-N622 PolarHBondContact O-OD1 2.88Å
619	D	98.4	Very high	98	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-43.1	175.8	-179	41.5	0	0	0	111.6	A614 D615 S616 K621 N622 R623 R626	A614-D619 WeakPolarHBondContact CA-OD2 3.31Å; D615-D619 PolarHBondContact N-OD2 3.22Å; D615-D619 WeakPolarHBondContact OD1-CB 3.32Å; S616-D619 PolarHBondContact O-N 3Å; S616-D619 WeakPolarHBondContact OG-CB 3.31Å; S616-D619 PolarHBondContact OG-N 2.91Å; D619-K621 VanDerWaalsContact C-N 3.31Å; D619-K621 PolarHBondContact O-N 2.88Å; D619-N622 CarbonylContact O-C 3.49Å; D619-N622 WeakPolarHBondContact O-CA 3.41Å; D619-N622 WeakPolarHBondContact O-CB 3.34Å; D619-N622 PolarHBondContact O-N 3.45Å; D619-R623 VanDerWaalsContact CG-NE 3.33Å; D619-R623 WeakPolarHBondContact O-CB 3.37Å; D619-R623 VanDerWaalsContact O-CG 3.3Å; D619-R623 WeakPolarHBondContact O-CG 3.41Å; D619-R623 PolarHBondContact O-N 3.19Å; D619-R623 IonicContact OD1-CZ 2.67Å; D619-R623 IonicContact OD1-NE 3.25Å; D619-R623 PolarHBondContact OD1-NE 2.92Å; D619-R623 IonicContact OD2-CZ 3.65Å; D619-R623 IonicContact OD2-NE 3.13Å; D619-R623 PolarHBondContact OD2-NE 2.86Å; D619-R623 IonicContact OD2-NH2 2.65Å; D619-R623 PolarHBondContact OD2-NH2 2.96Å; D619-R623 VanDerWaalsContact OD2-NH2 3.15Å; D619-R626 IonicContact OD1-NH2 2.64Å; D619-R626 PolarHBondContact OD1-NH2 3.13Å
620	M	98.5	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-54.5	-47.1	174.7	-169.1	-176.8	70.1	0	0	111.4	I610 L611 A614 S616 L617 N622 R623 L624 M653 I657	I610-M620 HydrophobicContact CG2-CG 4.01Å; L611-M620 HydrophobicContact CD1-SD 4.46Å; A614-M620 HydrophobicContact CB-CB 3.72Å; A614-M620 HydrophobicContact CB-CG 4.22Å; S616-M620 PolarHBondContact O-N 3.05Å; L617-M620 HydrophobicContact CD1-CE 3.83Å; M620-N622 PolarHBondContact O-N 3.33Å; M620-R623 PolarHBondContact O-N 2.82Å; M620-L624 HydrophobicContact CE-CD1 4.41Å; M620-L624 HydrophobicContact CG-CD1 4.19Å; M620-L624 HydrophobicContact CG-CG 4.48Å; M620-L624 VanDerWaalsContact O-CG 3.26Å; M620-L624 WeakPolarHBondContact O-CG 3.19Å; M620-L624 PolarHBondContact O-N 2.94Å; M620-M653 HydrophobicContact CE-CB 3.43Å; M620-M653 VanDerWaalsContact CE-CB 3.43Å; M620-M653 HydrophobicContact SD-CB 3.93Å; M620-I657 HydrophobicContact CB-CD1 3.79Å; M620-I657 HydrophobicContact CE-CB 4.18Å; M620-I657 HydrophobicContact CE-CD1 3.88Å; M620-I657 HydrophobicContact CE-CG1 4.26Å; M620-I657 HydrophobicContact CG-CD1 4.31Å; M620-I657 HydrophobicContact SD-CB 4Å; M620-I657 HydrophobicContact SD-CD1 3.68Å; M620-I657 HydrophobicContact SD-CG1 3.7Å
621	K	97.9	Very high	97.6	Very high	101 Å²	101	35 Å²	35	44%	0.439	17%	0.171	S	C	.	.	H	α-helix	trans	-61.2	-44.5	174.8	-176.8	-179.9	173.5	-175.7	0	112.1	L617 K618 D619 R623 L624 A625 A650	L617-K621 PolarHBondContact O-N 2.73Å; L617-K621 VanDerWaalsContact O-N 3.09Å; K618-K621 PolarHBondContact O-N 2.78Å; D619-K621 VanDerWaalsContact C-N 3.31Å; D619-K621 PolarHBondContact O-N 2.88Å; K621-R623 VanDerWaalsContact C-N 3.28Å; K621-R623 PolarHBondContact O-N 2.69Å; K621-L624 PolarHBondContact O-N 3.34Å; K621-A625 WeakPolarHBondContact O-CB 3.33Å; K621-A625 PolarHBondContact O-N 3.21Å; K621-A650 HydrophobicContact CB-CB 4.2Å; K621-A650 HydrophobicContact CG-CB 4.1Å
622	N	97.9	Very high	97.4	Very high	76 Å²	76	35.4 Å²	35.4	41%	0.406	18%	0.175	S	C	.	.	H	α-helix	trans	-64.4	-31.4	177.9	-67.2	-13.4	0	0	0	112.6	K618 D619 M620 R626	K618-N622 PolarHBondContact O-N 3.28Å; K618-N622 PolarHBondContact O-ND2 3.17Å; K618-N622 PolarHBondContact O-OD1 2.88Å; D619-N622 CarbonylContact O-C 3.49Å; D619-N622 WeakPolarHBondContact O-CA 3.41Å; D619-N622 WeakPolarHBondContact O-CB 3.34Å; D619-N622 PolarHBondContact O-N 3.45Å; M620-N622 PolarHBondContact O-N 3.33Å; N622-R626 WeakPolarHBondContact O-CG 3.25Å; N622-R626 PolarHBondContact O-N 3.37Å; N622-R626 PolarHBondContact O-NE 3.24Å
623	R	98.5	Very high	97.1	Very high	23 Å²	23	42.3 Å²	42.3	9%	0.087	20%	0.2	C	C	.	.	H	α-helix	trans	-72.5	-47.2	173.8	-72.4	-178.8	-175.1	-89.9	2.4	111.6	I610 L613 D619 M620 K621 A625 R626 I627 G935 A936	I610-R623 HydrophobicContact CB-CB 4.39Å; I610-R623 HydrophobicContact CD1-CB 4.19Å; I610-R623 HydrophobicContact CG1-CB 4.03Å; I610-R623 HydrophobicContact CG2-CB 3.57Å; I610-R623 HydrophobicContact CG2-CG 4.45Å; L613-R623 PolarHBondContact O-NH2 2.98Å; L613-R623 VanDerWaalsContact O-NH2 3.15Å; D619-R623 VanDerWaalsContact CG-NE 3.33Å; D619-R623 WeakPolarHBondContact O-CB 3.37Å; D619-R623 VanDerWaalsContact O-CG 3.3Å; D619-R623 WeakPolarHBondContact O-CG 3.41Å; D619-R623 PolarHBondContact O-N 3.19Å; D619-R623 IonicContact OD1-CZ 2.67Å; D619-R623 IonicContact OD1-NE 3.25Å; D619-R623 PolarHBondContact OD1-NE 2.92Å; D619-R623 IonicContact OD2-CZ 3.65Å; D619-R623 IonicContact OD2-NE 3.13Å; D619-R623 PolarHBondContact OD2-NE 2.86Å; D619-R623 IonicContact OD2-NH2 2.65Å; D619-R623 PolarHBondContact OD2-NH2 2.96Å; D619-R623 VanDerWaalsContact OD2-NH2 3.15Å; M620-R623 PolarHBondContact O-N 2.82Å; K621-R623 VanDerWaalsContact C-N 3.28Å; K621-R623 PolarHBondContact O-N 2.69Å; R623-A625 VanDerWaalsContact C-N 3.27Å; R623-A625 PolarHBondContact O-N 2.86Å; R623-R626 WeakPolarHBondContact O-CA 3.43Å; R623-R626 PolarHBondContact O-N 3.38Å; R623-I627 PolarHBondContact O-N 2.9Å; R623-G935 VanDerWaalsContact CB-O 3.22Å; R623-G935 WeakPolarHBondContact CB-O 3.42Å; R623-G935 WeakPolarHBondContact CG-O 3.44Å; R623-G935 VanDerWaalsContact O-CA 3.23Å; R623-G935 WeakPolarHBondContact O-CA 3.45Å; R623-A936 PolarHBondContact NH1-O 2.83Å
624	L	98.6	Very high	96.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-40.7	174.2	-68.7	170	0	0	0	111.5	I607 I610 M620 K621 R626 I627 A640 L649 A650	I607-L624 HydrophobicContact CD1-CD2 4.23Å; I607-L624 HydrophobicContact CG1-CD2 4Å; I607-L624 HydrophobicContact CG2-CD2 4.11Å; I610-L624 HydrophobicContact CD1-CD2 4.27Å; I610-L624 HydrophobicContact CG2-CD2 4.29Å; I610-L624 HydrophobicContact CG2-CG 4.3Å; M620-L624 HydrophobicContact CE-CD1 4.41Å; M620-L624 HydrophobicContact CG-CD1 4.19Å; M620-L624 HydrophobicContact CG-CG 4.48Å; M620-L624 VanDerWaalsContact O-CG 3.26Å; M620-L624 WeakPolarHBondContact O-CG 3.19Å; M620-L624 PolarHBondContact O-N 2.94Å; K621-L624 PolarHBondContact O-N 3.34Å; L624-R626 VanDerWaalsContact C-N 3.29Å; L624-R626 PolarHBondContact O-N 3.45Å; L624-I627 HydrophobicContact CD2-CD1 4Å; L624-I627 WeakPolarHBondContact O-CG1 3.23Å; L624-I627 PolarHBondContact O-N 3.42Å; L624-A640 WeakPolarHBondContact O-CB 3.42Å; L624-L649 HydrophobicContact CD1-CB 3.99Å; L624-L649 HydrophobicContact CD2-CB 4.33Å; L624-L649 HydrophobicContact CD2-CD1 4.46Å; L624-A650 HydrophobicContact CD1-CB 4.18Å
625	A	97.6	Very high	96.3	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-29.2	174.4	0	0	0	0	0	114	K621 R623 E641	K621-A625 WeakPolarHBondContact O-CB 3.33Å; K621-A625 PolarHBondContact O-N 3.21Å; R623-A625 VanDerWaalsContact C-N 3.27Å; R623-A625 PolarHBondContact O-N 2.86Å; A625-E641 HydrophobicContact CB-CB 4.14Å; A625-E641 WeakPolarHBondContact CB-OE2 3.19Å
626	R	97.1	Very high	96	Very high	111 Å²	111	50.7 Å²	50.7	42%	0.419	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2	-179.5	-79.4	177.6	-71.2	173.7	-1.3	114.5	D619 N622 R623 L624 V628 V934	D619-R626 IonicContact OD1-NH2 2.64Å; D619-R626 PolarHBondContact OD1-NH2 3.13Å; N622-R626 WeakPolarHBondContact O-CG 3.25Å; N622-R626 PolarHBondContact O-N 3.37Å; N622-R626 PolarHBondContact O-NE 3.24Å; R623-R626 WeakPolarHBondContact O-CA 3.43Å; R623-R626 PolarHBondContact O-N 3.38Å; L624-R626 VanDerWaalsContact C-N 3.29Å; L624-R626 PolarHBondContact O-N 3.45Å; R626-V628 PolarHBondContact O-N 3.28Å; R626-V934 WeakPolarHBondContact O-CG1 3.45Å
627	I	98.4	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.			trans	-60.4	121.1	173	-62.6	170.3	0	0	0	108.8	L494 W568 I607 I610 R623 L624 V629 T639 A640	L494-I627 HydrophobicContact CD2-CD1 4.12Å; L494-I627 HydrophobicContact CD2-CG2 3.97Å; W568-I627 HydrophobicContact CE3-CG2 3.74Å; W568-I627 HydrophobicContact CH2-CD1 4.14Å; W568-I627 HydrophobicContact CH2-CG2 3.94Å; W568-I627 HydrophobicContact CZ3-CG2 3.33Å; I607-I627 HydrophobicContact CD1-CD1 4.49Å; I607-I627 HydrophobicContact CG1-CD1 3.98Å; I610-I627 HydrophobicContact CD1-CD1 3.7Å; I610-I627 HydrophobicContact CD1-CG1 3.58Å; R623-I627 PolarHBondContact O-N 2.9Å; L624-I627 HydrophobicContact CD2-CD1 4Å; L624-I627 WeakPolarHBondContact O-CG1 3.23Å; L624-I627 PolarHBondContact O-N 3.42Å; I627-V629 HydrophobicContact CG2-CG1 3.94Å; I627-T639 CarbonylContact O-C 3.5Å; I627-T639 WeakPolarHBondContact O-CA 3.16Å; I627-A640 HydrophobicContact CB-CB 4.21Å; I627-A640 PolarHBondContact O-N 3.47Å
628	V	97.1	Very high	95.7	Very high	24 Å²	24	46.7 Å²	46.7	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.8	169.6	178.5	0	0	0	0	108	R626 P637 T639 V934	R626-V628 PolarHBondContact O-N 3.28Å; V628-P637 HydrophobicContact CG1-CB 4.02Å; V628-P637 HydrophobicContact CG2-CB 4.2Å; V628-T639 HydrophobicContact CG2-CG2 4.31Å; V628-V934 HydrophobicContact CB-CG2 4.36Å; V628-V934 HydrophobicContact CG2-CB 4Å; V628-V934 HydrophobicContact CG2-CG1 4.12Å; V628-V934 HydrophobicContact CG2-CG2 3.97Å
629	V	96.9	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-8.9	-175.6	-67.2	0	0	0	0	114	L494 I498 F561 T567 W568 I627 V638 L643	L494-V629 HydrophobicContact CD1-CG1 3.95Å; L494-V629 HydrophobicContact CD2-CG1 3.77Å; L494-V629 HydrophobicContact CG-CG1 3.89Å; I498-V629 HydrophobicContact CD1-CB 3.7Å; I498-V629 HydrophobicContact CD1-CG1 4.02Å; I498-V629 HydrophobicContact CD1-CG2 4.05Å; I498-V629 HydrophobicContact CG1-CB 4.27Å; I498-V629 HydrophobicContact CG1-CG2 4.07Å; F561-V629 HydrophobicContact CE1-CG2 3.92Å; F561-V629 HydrophobicContact CZ-CG2 3.87Å; T567-V629 PolarHBondContact N-O 3.43Å; T567-V629 PolarHBondContact OG1-O 3Å; W568-V629 HydrophobicContact CB-CB 3.86Å; W568-V629 HydrophobicContact CB-CG1 3.98Å; W568-V629 HydrophobicContact CD2-CG1 4.03Å; W568-V629 HydrophobicContact CE3-CG1 4.1Å; W568-V629 HydrophobicContact CG-CB 4.41Å; W568-V629 HydrophobicContact CG-CG1 3.98Å; W568-V629 PolarHBondContact N-O 3.4Å; I627-V629 HydrophobicContact CG2-CG1 3.94Å; V629-V638 WeakPolarHBondContact CG2-O 3.41Å; V629-V638 PolarHBondContact N-O 3.5Å; V629-L643 HydrophobicContact CG2-CD1 3.96Å
630	G	95	Very high	95.7	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-168.3	-179.7	0	0	0	0	0	110	Q565 V638	Q565-G630 WeakPolarHBondContact O-CA 3.31Å; G630-V638 PolarHBondContact O-N 3.17Å
631	S	94.3	Very high	95.5	Very high	11 Å²	11	39.7 Å²	39.7	8%	0.077	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	159.4	-178	-51.5	0	0	0	0	112.7	D562 E636 Y890	D562-S631 PolarHBondContact N-O 3.22Å; S631-E636 CarbonylContact C-O 3.55Å; S631-E636 WeakPolarHBondContact CA-O 3.46Å; S631-E636 WeakPolarHBondContact CB-O 3.44Å; S631-Y890 PolarHBondContact OG-OH 3.05Å
632	S	94.4	Very high	95.4	Very high	11 Å²	11	35.5 Å²	35.5	8%	0.077	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-73.7	170.7	168.3	73.2	0	0	0	0	111.1	L559 D560 S634 G635 E636	L559-S632 WeakPolarHBondContact O-CB 3.38Å; D560-S632 CarbonylContact O-C 3.6Å; D560-S632 WeakPolarHBondContact O-CA 3.24Å; D560-S632 WeakPolarHBondContact O-CB 3.44Å; S632-S634 PolarHBondContact O-N 3.16Å; S632-S634 PolarHBondContact OG-N 3.2Å; S632-S634 PolarHBondContact OG-OG 3.24Å; S632-G635 PolarHBondContact O-N 3.24Å; S632-G635 PolarHBondContact OG-N 3.33Å; S632-E636 PolarHBondContact N-O 3.15Å; S632-E636 PolarHBondContact OG-N 3.04Å
633	R	93.4	Very high	95.3	Very high	144 Å²	144	32.9 Å²	32.9	54%	0.543	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18	170.2	-60.1	-174.9	-164	-73.4	-14	114.3	D560 F561 D562 G635	D560-R633 PolarHBondContact O-N 3.32Å; D560-R633 WeakPolarHBondContact OD1-CD 3.44Å; D560-R633 IonicContact OD1-CZ 2.76Å; D560-R633 IonicContact OD1-NE 2.71Å; D560-R633 PolarHBondContact OD1-NE 3.42Å; D560-R633 WeakPolarHBondContact OD2-CB 3.29Å; D560-R633 VanDerWaalsContact OD2-CD 3.26Å; D560-R633 WeakPolarHBondContact OD2-CD 3.17Å; D560-R633 WeakPolarHBondContact OD2-CG 3.32Å; D560-R633 IonicContact OD2-NE 3.9Å; F561-R633 PolarHBondContact O-NH2 2.93Å; F561-R633 VanDerWaalsContact O-NH2 3.12Å; D562-R633 HydrophobicContact CB-CG 4.32Å; R633-G635 VanDerWaalsContact C-N 3.31Å
634	S	90.6	Very high	95.2	Very high	95 Å²	95	33.7 Å²	33.7	66%	0.664	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	0.6	172.1	67.8	0	0	0	0	113.3	S632 E636	S632-S634 PolarHBondContact O-N 3.16Å; S632-S634 PolarHBondContact OG-N 3.2Å; S632-S634 PolarHBondContact OG-OG 3.24Å; S634-E636 VanDerWaalsContact C-N 3.35Å; S634-E636 WeakPolarHBondContact OG-CG 3.46Å
635	G	88.5	Confident	95.1	Very high	28 Å²	28	34.3 Å²	34.3	29%	0.289	19%	0.191	S	C	.	.	S	Bend	trans	86.6	-2.4	-179.5	0	0	0	0	0	115.2	S632 R633 Y890 Q894	S632-G635 PolarHBondContact O-N 3.24Å; S632-G635 PolarHBondContact OG-N 3.33Å; R633-G635 VanDerWaalsContact C-N 3.31Å; G635-Y890 PolarHBondContact O-OH 3.18Å; G635-Q894 PolarHBondContact O-NE2 2.88Å
636	E	90.5	Very high	95	Very high	114 Å²	114	33.6 Å²	33.6	53%	0.533	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-71.6	143.9	-178.2	-67.1	-60.7	146.6	0	0	111.9	S631 S632 S634 V638	S631-E636 CarbonylContact C-O 3.55Å; S631-E636 WeakPolarHBondContact CA-O 3.46Å; S631-E636 WeakPolarHBondContact CB-O 3.44Å; S632-E636 PolarHBondContact N-O 3.15Å; S632-E636 PolarHBondContact OG-N 3.04Å; S634-E636 VanDerWaalsContact C-N 3.35Å; S634-E636 WeakPolarHBondContact OG-CG 3.46Å; E636-V638 PolarHBondContact O-N 2.97Å
637	P	93.6	Very high	95	Very high	31 Å²	31	29.7 Å²	29.7	20%	0.201	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.2	-173.2	33.1	-33.7	0	0	0	110.8	V628	V628-P637 HydrophobicContact CG1-CB 4.02Å; V628-P637 HydrophobicContact CG2-CB 4.2Å
638	V	95.6	Very high	95	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.5	179.8	-173	0	0	0	0	110	L559 F561 V629 G630 E636 D642	L559-V638 HydrophobicContact CB-CG1 4.23Å; L559-V638 HydrophobicContact CD1-CG1 3.73Å; L559-V638 HydrophobicContact CG-CG1 4.44Å; F561-V638 HydrophobicContact CD1-CB 4.28Å; F561-V638 HydrophobicContact CD1-CG1 4.46Å; F561-V638 HydrophobicContact CD1-CG2 4.2Å; F561-V638 HydrophobicContact CE1-CB 3.61Å; F561-V638 HydrophobicContact CE1-CG1 3.64Å; F561-V638 HydrophobicContact CE1-CG2 4.04Å; F561-V638 HydrophobicContact CE2-CG1 4.03Å; F561-V638 HydrophobicContact CZ-CB 3.93Å; F561-V638 HydrophobicContact CZ-CG1 3.38Å; V629-V638 WeakPolarHBondContact CG2-O 3.41Å; V629-V638 PolarHBondContact N-O 3.5Å; G630-V638 PolarHBondContact O-N 3.17Å; E636-V638 PolarHBondContact O-N 2.97Å; V638-D642 HydrophobicContact CG1-CB 4.15Å
639	T	96.8	Very high	95.1	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	161.5	-173.7	67.8	0	0	0	0	114.1	R537 I627 V628 E641 D642 L643	R537-T639 PolarHBondContact NH1-OG1 2.75Å; R537-T639 PolarHBondContact NH2-OG1 2.84Å; I627-T639 CarbonylContact O-C 3.5Å; I627-T639 WeakPolarHBondContact O-CA 3.16Å; V628-T639 HydrophobicContact CG2-CG2 4.31Å; T639-E641 PolarHBondContact O-N 3.12Å; T639-E641 PolarHBondContact OG1-N 2.88Å; T639-D642 WeakPolarHBondContact CB-OD2 3.46Å; T639-D642 PolarHBondContact N-OD2 3.07Å; T639-D642 VanDerWaalsContact N-OD2 3.1Å; T639-D642 WeakPolarHBondContact O-CB 3.41Å; T639-D642 PolarHBondContact O-N 3.38Å; T639-D642 PolarHBondContact OG1-N 2.74Å; T639-D642 PolarHBondContact OG1-OD2 3.4Å; T639-L643 PolarHBondContact O-N 2.86Å
640	A	97.5	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.3	169.2	0	0	0	0	0	113.5	L494 L624 I627 V645 S646 L649	L494-A640 HydrophobicContact CD1-CB 3.69Å; L494-A640 HydrophobicContact CD2-CB 4.04Å; L624-A640 WeakPolarHBondContact O-CB 3.42Å; I627-A640 HydrophobicContact CB-CB 4.21Å; I627-A640 PolarHBondContact O-N 3.47Å; A640-V645 HydrophobicContact CB-CG1 4.3Å; A640-V645 WeakPolarHBondContact O-CG1 3.42Å; A640-V645 PolarHBondContact O-N 3.39Å; A640-V645 VanDerWaalsContact O-N 3.16Å; A640-S646 PolarHBondContact O-N 3.03Å; A640-L649 HydrophobicContact CB-CD1 4.28Å
641	E	95.9	Very high	95.3	Very high	26 Å²	26	36.2 Å²	36.2	12%	0.121	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-37.2	168.4	-172.7	80	172.8	0	0	111.7	I530 S533 A625 T639 G644 S646	I530-E641 HydrophobicContact CD1-CG 4.4Å; I530-E641 WeakPolarHBondContact CD1-OE2 3.39Å; I530-E641 HydrophobicContact CG1-CG 4.2Å; S533-E641 WeakPolarHBondContact CB-OE1 3.3Å; S533-E641 PolarHBondContact OG-OE1 3.14Å; A625-E641 HydrophobicContact CB-CB 4.14Å; A625-E641 WeakPolarHBondContact CB-OE2 3.19Å; T639-E641 PolarHBondContact O-N 3.12Å; T639-E641 PolarHBondContact OG1-N 2.88Å; E641-G644 WeakPolarHBondContact O-CA 3.25Å; E641-G644 PolarHBondContact O-N 3.39Å; E641-S646 VanDerWaalsContact OE2-CB 3.29Å; E641-S646 WeakPolarHBondContact OE2-CB 3.34Å; E641-S646 PolarHBondContact OE2-OG 3.02Å
642	D	95.5	Very high	95.5	Very high	13 Å²	13	39 Å²	39	7%	0.07	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.3	177.3	-67.2	-64	0	0	0	113.3	R534 R537 L559 V638 T639 G644	R534-D642 IonicContact CZ-OD1 3.63Å; R534-D642 IonicContact NH1-OD1 3.88Å; R534-D642 PolarHBondContact NH1-OD1 2.91Å; R537-D642 IonicContact CZ-OD1 2.65Å; R537-D642 IonicContact CZ-OD2 3.32Å; R537-D642 IonicContact NE-OD1 2.83Å; R537-D642 IonicContact NH1-OD2 2.72Å; R537-D642 IonicContact NH2-OD1 3.58Å; R537-D642 PolarHBondContact NH2-OD1 3.11Å; R537-D642 IonicContact NH2-OD2 3.62Å; R537-D642 PolarHBondContact NH2-OD2 3.15Å; L559-D642 HydrophobicContact CD1-CB 4.21Å; L559-D642 HydrophobicContact CD2-CB 3.95Å; V638-D642 HydrophobicContact CG1-CB 4.15Å; T639-D642 WeakPolarHBondContact CB-OD2 3.46Å; T639-D642 PolarHBondContact N-OD2 3.07Å; T639-D642 VanDerWaalsContact N-OD2 3.1Å; T639-D642 WeakPolarHBondContact O-CB 3.41Å; T639-D642 PolarHBondContact O-N 3.38Å; T639-D642 PolarHBondContact OG1-N 2.74Å; T639-D642 PolarHBondContact OG1-OD2 3.4Å; D642-G644 PolarHBondContact O-N 3.44Å
643	L	95.5	Very high	95.7	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.105	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.1	169.3	-75.2	170.5	0	0	0	113.1	L494 A497 I498 R501 L559 F561 V629 T639 V645	L494-L643 HydrophobicContact CD1-CD1 3.62Å; A497-L643 HydrophobicContact CB-CD1 4.47Å; I498-L643 HydrophobicContact CG1-CD1 3.64Å; R501-L643 HydrophobicContact CB-CD2 3.74Å; R501-L643 HydrophobicContact CG-CD2 4.01Å; L559-L643 HydrophobicContact CD1-CD2 3.87Å; L559-L643 HydrophobicContact CD1-CG 4.24Å; F561-L643 HydrophobicContact CE2-CD2 3.96Å; F561-L643 HydrophobicContact CZ-CD1 4.47Å; F561-L643 HydrophobicContact CZ-CD2 4.23Å; F561-L643 HydrophobicContact CZ-CG 4.47Å; V629-L643 HydrophobicContact CG2-CD1 3.96Å; T639-L643 PolarHBondContact O-N 2.86Å; L643-V645 VanDerWaalsContact C-N 3.3Å; L643-V645 HydrophobicContact CB-CG1 4.01Å; L643-V645 PolarHBondContact O-N 3.32Å
644	G	95.3	Very high	95.9	Very high	41 Å²	41	36.9 Å²	36.9	42%	0.423	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	13.7	-179.3	0	0	0	0	0	114.5	E641 D642	E641-G644 WeakPolarHBondContact O-CA 3.25Å; E641-G644 PolarHBondContact O-N 3.39Å; D642-G644 PolarHBondContact O-N 3.44Å
645	V	97.1	Very high	96.2	Very high	13 Å²	13	34.9 Å²	34.9	8%	0.079	21%	0.214	C	C	.	.			trans	-107	-15.1	-166.3	73	0	0	0	0	114.5	L493 L494 A497 A640 L643 G647 A648 L649	L493-V645 HydrophobicContact CD2-CG2 4Å; L493-V645 HydrophobicContact CG-CG2 3.91Å; L494-V645 HydrophobicContact CD1-CG1 3.55Å; A497-V645 HydrophobicContact CB-CB 4.39Å; A497-V645 HydrophobicContact CB-CG1 4.34Å; A497-V645 HydrophobicContact CB-CG2 4.41Å; A640-V645 HydrophobicContact CB-CG1 4.3Å; A640-V645 WeakPolarHBondContact O-CG1 3.42Å; A640-V645 PolarHBondContact O-N 3.39Å; A640-V645 VanDerWaalsContact O-N 3.16Å; L643-V645 VanDerWaalsContact C-N 3.3Å; L643-V645 HydrophobicContact CB-CG1 4.01Å; L643-V645 PolarHBondContact O-N 3.32Å; V645-G647 PolarHBondContact O-N 2.9Å; V645-A648 HydrophobicContact CG2-CB 4.18Å; V645-A648 WeakPolarHBondContact O-CA 3.44Å; V645-A648 WeakPolarHBondContact O-CB 3.34Å; V645-A648 PolarHBondContact O-N 2.85Å; V645-L649 HydrophobicContact CG1-CD1 4.33Å; V645-L649 HydrophobicContact CG1-CG 4.39Å; V645-L649 HydrophobicContact CG2-CD2 4.2Å; V645-L649 HydrophobicContact CG2-CG 4.35Å; V645-L649 PolarHBondContact O-N 2.71Å
646	S	96.1	Very high	96.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-48.4	-39	-177.7	73	0	0	0	0	114.4	I530 A640 E641 L649 A650	I530-S646 VanDerWaalsContact CD1-OG 3.28Å; I530-S646 WeakPolarHBondContact CD1-OG 3.41Å; A640-S646 PolarHBondContact O-N 3.03Å; E641-S646 VanDerWaalsContact OE2-CB 3.29Å; E641-S646 WeakPolarHBondContact OE2-CB 3.34Å; E641-S646 PolarHBondContact OE2-OG 3.02Å; S646-L649 PolarHBondContact O-N 3.12Å; S646-A650 PolarHBondContact O-N 3Å
647	G	96.9	Very high	97.1	Very high	29 Å²	29	28.7 Å²	28.7	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-65.9	-39	176	0	0	0	0	0	113.5	V645 A650 V651	V645-G647 PolarHBondContact O-N 2.9Å; G647-A650 PolarHBondContact O-N 2.7Å; G647-V651 WeakPolarHBondContact O-CG2 3.33Å; G647-V651 PolarHBondContact O-N 2.59Å; G647-V651 VanDerWaalsContact O-N 3.07Å
648	A	98.3	Very high	97.3	Very high	43 Å²	43	28.2 Å²	28.2	36%	0.355	17%	0.173	S	C	.	.	H	α-helix	trans	-71.2	-36.4	175.5	0	0	0	0	0	111.7	L493 V645 A650 V651 L652	L493-A648 HydrophobicContact CD2-CB 3.91Å; V645-A648 HydrophobicContact CG2-CB 4.18Å; V645-A648 WeakPolarHBondContact O-CA 3.44Å; V645-A648 WeakPolarHBondContact O-CB 3.34Å; V645-A648 PolarHBondContact O-N 2.85Å; A648-A650 VanDerWaalsContact C-N 3.33Å; A648-A650 PolarHBondContact O-N 2.7Å; A648-V651 PolarHBondContact O-N 2.86Å; A648-L652 PolarHBondContact O-N 3.11Å
649	L	98.6	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-44.1	171.5	-54.6	-175.5	0	0	0	111	A490 L493 L494 L624 A640 V645 S646 V651 L652 M653	A490-L649 HydrophobicContact CB-CD2 4.11Å; A490-L649 WeakPolarHBondContact O-CD2 3.49Å; L493-L649 HydrophobicContact CB-CD2 4.42Å; L493-L649 HydrophobicContact CD2-CD2 4.32Å; L493-L649 HydrophobicContact CG-CD2 4.47Å; L494-L649 HydrophobicContact CB-CD1 4.33Å; L494-L649 HydrophobicContact CB-CD2 4.2Å; L494-L649 HydrophobicContact CD2-CD1 4.08Å; L624-L649 HydrophobicContact CD1-CB 3.99Å; L624-L649 HydrophobicContact CD2-CB 4.33Å; L624-L649 HydrophobicContact CD2-CD1 4.46Å; A640-L649 HydrophobicContact CB-CD1 4.28Å; V645-L649 HydrophobicContact CG1-CD1 4.33Å; V645-L649 HydrophobicContact CG1-CG 4.39Å; V645-L649 HydrophobicContact CG2-CD2 4.2Å; V645-L649 HydrophobicContact CG2-CG 4.35Å; V645-L649 PolarHBondContact O-N 2.71Å; S646-L649 PolarHBondContact O-N 3.12Å; L649-V651 VanDerWaalsContact C-N 3.32Å; L649-V651 PolarHBondContact O-N 2.72Å; L649-L652 PolarHBondContact O-N 2.86Å; L649-M653 WeakPolarHBondContact O-CB 3.42Å; L649-M653 WeakPolarHBondContact O-CG 3.38Å; L649-M653 PolarHBondContact O-N 2.9Å
650	A	98.3	Very high	97.6	Very high	13 Å²	13	27.2 Å²	27.2	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-30.1	177.2	0	0	0	0	0	113.3	K621 L624 S646 G647 A648 K654	K621-A650 HydrophobicContact CB-CB 4.2Å; K621-A650 HydrophobicContact CG-CB 4.1Å; L624-A650 HydrophobicContact CD1-CB 4.18Å; S646-A650 PolarHBondContact O-N 3Å; G647-A650 PolarHBondContact O-N 2.7Å; A648-A650 VanDerWaalsContact C-N 3.33Å; A648-A650 PolarHBondContact O-N 2.7Å; A650-K654 PolarHBondContact O-N 2.96Å; A650-K654 VanDerWaalsContact O-N 3.14Å
651	V	98.4	Very high	97.6	Very high	108 Å²	108	27.2 Å²	27.2	66%	0.655	17%	0.168	S	C	*	.	H	α-helix	trans	-69.8	-45.6	172.3	169.8	0	0	0	0	111.3	G647 A648 L649 M653 K654	G647-V651 WeakPolarHBondContact O-CG2 3.33Å; G647-V651 PolarHBondContact O-N 2.59Å; G647-V651 VanDerWaalsContact O-N 3.07Å; A648-V651 PolarHBondContact O-N 2.86Å; L649-V651 VanDerWaalsContact C-N 3.32Å; L649-V651 PolarHBondContact O-N 2.72Å; V651-M653 PolarHBondContact O-N 3.28Å; V651-K654 WeakPolarHBondContact O-CB 3.45Å; V651-K654 PolarHBondContact O-N 3.26Å; V651-K654 VanDerWaalsContact O-N 3.16Å
652	L	98.6	Very high	97.7	Very high	70 Å²	70	26 Å²	26	37%	0.366	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-35.4	176.3	-71.3	171.6	0	0	0	112.1	A489 A490 L493 A648 L649	A489-L652 HydrophobicContact CB-CD1 4.36Å; A489-L652 HydrophobicContact CB-CD2 4.44Å; A490-L652 HydrophobicContact CB-CB 4.24Å; A490-L652 HydrophobicContact CB-CD1 4.2Å; L493-L652 HydrophobicContact CB-CD1 4.3Å; L493-L652 HydrophobicContact CD2-CD1 3.68Å; A648-L652 PolarHBondContact O-N 3.11Å; L649-L652 PolarHBondContact O-N 2.86Å
653	M	98.5	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.3	178.3	-64.6	-61.3	-60.8	0	0	114.3	A486 I487 A490 I607 L611 M620 L649 V651 D655 A656 I657	A486-M653 HydrophobicContact CB-SD 4.19Å; I487-M653 HydrophobicContact CD1-CE 4.46Å; I487-M653 HydrophobicContact CG1-CE 3.66Å; I487-M653 HydrophobicContact CG1-SD 3.85Å; A490-M653 HydrophobicContact CB-CG 4.24Å; A490-M653 HydrophobicContact CB-SD 4.31Å; I607-M653 HydrophobicContact CG2-CE 4.1Å; I607-M653 HydrophobicContact CG2-CG 4.24Å; I607-M653 HydrophobicContact CG2-SD 3.88Å; L611-M653 HydrophobicContact CB-CE 4.19Å; L611-M653 HydrophobicContact CD1-CE 4.22Å; L611-M653 HydrophobicContact CD2-CE 4.07Å; L611-M653 HydrophobicContact CG-CE 4.38Å; M620-M653 HydrophobicContact CE-CB 3.43Å; M620-M653 VanDerWaalsContact CE-CB 3.43Å; M620-M653 HydrophobicContact SD-CB 3.93Å; L649-M653 WeakPolarHBondContact O-CB 3.42Å; L649-M653 WeakPolarHBondContact O-CG 3.38Å; L649-M653 PolarHBondContact O-N 2.9Å; V651-M653 PolarHBondContact O-N 3.28Å; M653-D655 VanDerWaalsContact C-N 3.34Å; M653-D655 PolarHBondContact O-N 3.45Å; M653-A656 HydrophobicContact CE-CB 4.01Å; M653-A656 PolarHBondContact O-N 2.95Å; M653-A656 HydrophobicContact SD-CB 4.42Å; M653-I657 PolarHBondContact O-N 2.95Å
654	K	97.6	Very high	98	Very high	110 Å²	110	24.4 Å²	24.4	48%	0.478	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-46.4	-171.5	173	-172.6	159.8	-88.3	0	113.6	A650 V651 I657	A650-K654 PolarHBondContact O-N 2.96Å; A650-K654 VanDerWaalsContact O-N 3.14Å; V651-K654 WeakPolarHBondContact O-CB 3.45Å; V651-K654 PolarHBondContact O-N 3.26Å; V651-K654 VanDerWaalsContact O-N 3.16Å; K654-I657 VanDerWaalsContact O-CG2 3.25Å; K654-I657 WeakPolarHBondContact O-CG2 3.3Å
655	D	97.6	Very high	98.1	Very high	53 Å²	53	22.5 Å²	22.5	28%	0.283	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-22.4	-175	-58.1	-58.3	0	0	0	111.7	M653 I657 K658	M653-D655 VanDerWaalsContact C-N 3.34Å; M653-D655 PolarHBondContact O-N 3.45Å; D655-I657 PolarHBondContact O-N 2.9Å; D655-K658 PolarHBondContact O-N 2.75Å; D655-K658 WeakPolarHBondContact OD1-CE 3.25Å; D655-K658 IonicContact OD1-NZ 2.69Å; D655-K658 PolarHBondContact OD1-NZ 3.47Å
656	A	98.4	Very high	98.1	Very high	7 Å²	7	22.5 Å²	22.5	6%	0.058	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.3	171.9	0	0	0	0	0	114.3	D483 A486 L611 M653 H673	D483-A656 HydrophobicContact CB-CB 4.3Å; A486-A656 HydrophobicContact CB-CB 3.7Å; L611-A656 WeakPolarHBondContact CD1-O 3.29Å; M653-A656 HydrophobicContact CE-CB 4.01Å; M653-A656 PolarHBondContact O-N 2.95Å; M653-A656 HydrophobicContact SD-CB 4.42Å; A656-H673 PolarHBondContact O-NE2 3.47Å
657	I	98.4	Very high	98.1	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.7	172	-157.4	-178	0	0	0	113.3	L395 L611 L617 M620 M653 K654 D655 H673 L688	L395-I657 HydrophobicContact CD1-CD1 4.1Å; L395-I657 HydrophobicContact CD1-CG1 4.37Å; L395-I657 HydrophobicContact CD1-CG2 4.1Å; L611-I657 HydrophobicContact CD1-CB 4.42Å; L611-I657 HydrophobicContact CD1-CG1 4.29Å; L617-I657 VanDerWaalsContact CA-CD1 3.49Å; L617-I657 HydrophobicContact CB-CD1 4.07Å; L617-I657 HydrophobicContact CD1-CD1 4.14Å; M620-I657 HydrophobicContact CB-CD1 3.79Å; M620-I657 HydrophobicContact CE-CB 4.18Å; M620-I657 HydrophobicContact CE-CD1 3.88Å; M620-I657 HydrophobicContact CE-CG1 4.26Å; M620-I657 HydrophobicContact CG-CD1 4.31Å; M620-I657 HydrophobicContact SD-CB 4Å; M620-I657 HydrophobicContact SD-CD1 3.68Å; M620-I657 HydrophobicContact SD-CG1 3.7Å; M653-I657 PolarHBondContact O-N 2.95Å; K654-I657 VanDerWaalsContact O-CG2 3.25Å; K654-I657 WeakPolarHBondContact O-CG2 3.3Å; D655-I657 PolarHBondContact O-N 2.9Å; I657-H673 VanDerWaalsContact C-CE1 3.46Å; I657-H673 PolarHBondContact O-CE1 3.28Å; I657-L688 HydrophobicContact CD1-CD1 3.96Å; I657-L688 HydrophobicContact CG1-CD1 3.65Å
658	K	98.7	Very high	98.2	Very high	21 Å²	21	21.1 Å²	21.1	9%	0.091	12%	0.118	C	C	.	.	S	Bend	trans	-85.5	130.6	-176	-61.6	172.9	-160.2	168.5	0	109.5	E384 K392 V393 D655 H673	E384-K658 IonicContact OE1-NZ 3.82Å; E384-K658 PolarHBondContact OE1-NZ 3.36Å; E384-K658 WeakPolarHBondContact OE2-CD 3.25Å; E384-K658 IonicContact OE2-NZ 3.31Å; E384-K658 PolarHBondContact OE2-NZ 3.48Å; K392-K658 HydrophobicContact CB-CB 3.97Å; K392-K658 HydrophobicContact CB-CD 4.13Å; K392-K658 HydrophobicContact CD-CB 3.94Å; K392-K658 WeakPolarHBondContact CD-O 3.44Å; K392-K658 WeakPolarHBondContact CE-O 3.47Å; K392-K658 HydrophobicContact CG-CB 4.24Å; K392-K658 PolarHBondContact NZ-O 2.91Å; V393-K658 WeakPolarHBondContact O-CB 3.48Å; D655-K658 PolarHBondContact O-N 2.75Å; D655-K658 WeakPolarHBondContact OD1-CE 3.25Å; D655-K658 IonicContact OD1-NZ 2.69Å; D655-K658 PolarHBondContact OD1-NZ 3.47Å; K658-H673 PolarHBondContact O-CD2 2.81Å; K658-H673 VanDerWaalsContact O-CD2 3.3Å; K658-H673 PolarHBondContact O-NE2 2.86Å; K658-H673 VanDerWaalsContact O-NE2 3.13Å
659	P	98.6	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.			trans	-65	145.8	173.8	-29.2	41.2	0	0	0	113.8	V393 F671 H673 L688 A689 L692	V393-P659 PolarHBondContact N-O 2.91Å; P659-F671 HydrophobicContact CB-CB 4.29Å; P659-F671 HydrophobicContact CB-CD1 3.63Å; P659-F671 HydrophobicContact CB-CD2 4.49Å; P659-F671 HydrophobicContact CB-CE1 4.02Å; P659-F671 HydrophobicContact CB-CG 3.91Å; P659-H673 HydrophobicContact CB-CB 3.93Å; P659-H673 HydrophobicContact CG-CB 4.32Å; P659-L688 HydrophobicContact CG-CB 4.35Å; P659-A689 HydrophobicContact CB-CB 3.93Å; P659-A689 HydrophobicContact CG-CB 3.83Å; P659-L692 HydrophobicContact CB-CD1 4.39Å; P659-L692 HydrophobicContact CG-CD1 3.71Å
660	T	98.7	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.7	178.7	-55.1	0	0	0	0	110.8	K390 A391 K392 L480 T481 M662 F671 V672	K390-T660 HydrophobicContact CB-CG2 4.25Å; A391-T660 CarbonylContact O-C 3.57Å; A391-T660 VanDerWaalsContact O-CA 3.31Å; A391-T660 WeakPolarHBondContact O-CA 3.17Å; K392-T660 WeakPolarHBondContact CD-OG1 3.31Å; K392-T660 PolarHBondContact NZ-OG1 3.45Å; L480-T660 HydrophobicContact CD1-CG2 4.07Å; L480-T660 HydrophobicContact CD2-CG2 4.33Å; L480-T660 HydrophobicContact CG-CG2 4.15Å; T481-T660 HydrophobicContact CG2-CG2 3.54Å; T481-T660 PolarHBondContact OG1-OG1 3.31Å; T660-M662 HydrophobicContact CG2-CG 4.36Å; T660-F671 CarbonylContact O-C 3.46Å; T660-F671 WeakPolarHBondContact O-CA 3.3Å; T660-V672 WeakPolarHBondContact CB-O 3.4Å; T660-V672 PolarHBondContact N-O 3.37Å; T660-V672 PolarHBondContact O-N 2.8Å
661	L	98.8	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.7	173	-179.7	61.9	0	0	0	110.8	V369 L372 A373 I376 L378 L383 K390 A391 V393 F444 P669 V670 F671	V369-L661 HydrophobicContact CG2-CB 4.42Å; V369-L661 HydrophobicContact CG2-CD2 3.93Å; V369-L661 HydrophobicContact CG2-CG 4.08Å; L372-L661 HydrophobicContact CD2-CD1 3.98Å; L372-L661 HydrophobicContact CD2-CD2 4.22Å; L372-L661 HydrophobicContact CD2-CG 4Å; A373-L661 HydrophobicContact CB-CD2 4.41Å; I376-L661 HydrophobicContact CD1-CD1 4.3Å; I376-L661 HydrophobicContact CD1-CD2 4.27Å; L378-L661 HydrophobicContact CD1-CD2 3.75Å; L383-L661 HydrophobicContact CD1-CD2 4.27Å; K390-L661 WeakPolarHBondContact CA-O 3.47Å; K390-L661 WeakPolarHBondContact CB-O 3.42Å; A391-L661 PolarHBondContact N-O 3.35Å; A391-L661 PolarHBondContact O-N 3.23Å; V393-L661 HydrophobicContact CG2-CB 4.01Å; V393-L661 HydrophobicContact CG2-CD2 4.45Å; F444-L661 HydrophobicContact CE1-CD1 4.03Å; F444-L661 HydrophobicContact CZ-CD1 3.89Å; L661-P669 HydrophobicContact CD1-CB 4.01Å; L661-V670 CarbonylContact C-O 3.58Å; L661-V670 WeakPolarHBondContact CA-O 3.49Å; L661-F671 HydrophobicContact CB-CD1 4.35Å; L661-F671 HydrophobicContact CB-CE1 4.12Å; L661-F671 HydrophobicContact CD1-CE1 4.46Å
662	M	98.3	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	-170.3	170.9	-62.6	-170.8	75.3	0	0	109.2	L372 K390 V470 E475 F476 L480 T660 V670 V672	L372-M662 WeakPolarHBondContact CD2-O 3.4Å; K390-M662 HydrophobicContact CB-CG 3.89Å; V470-M662 HydrophobicContact CG1-CB 3.78Å; V470-M662 HydrophobicContact CG1-CE 4.48Å; V470-M662 HydrophobicContact CG1-SD 4.39Å; E475-M662 HydrophobicContact CB-CE 4.33Å; F476-M662 HydrophobicContact CB-CE 4.37Å; F476-M662 HydrophobicContact CD2-SD 4.14Å; L480-M662 HydrophobicContact CD1-SD 3.53Å; L480-M662 VanDerWaalsContact CD1-SD 3.53Å; T660-M662 HydrophobicContact CG2-CG 4.36Å; M662-V670 PolarHBondContact N-O 3.13Å; M662-V670 PolarHBondContact O-N 3.29Å; M662-V672 HydrophobicContact CB-CG2 4.43Å; M662-V672 HydrophobicContact CG-CG2 4.25Å; M662-V672 HydrophobicContact SD-CG2 3.9Å
663	Q	98.1	Very high	98.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.6	179.4	69.1	-157.5	-85	0	0	114.3	P366 K367 L372 V470 I471 T668	P366-Q663 HydrophobicContact CB-CG 4.33Å; K367-Q663 VanDerWaalsContact CB-OE1 3.31Å; K367-Q663 PolarHBondContact O-NE2 3.48Å; L372-Q663 HydrophobicContact CD2-CB 3.88Å; V470-Q663 WeakPolarHBondContact CA-O 3.36Å; V470-Q663 VanDerWaalsContact CG1-O 3.3Å; V470-Q663 WeakPolarHBondContact CG1-O 2.88Å; I471-Q663 HydrophobicContact CG1-CG 4.15Å; I471-Q663 PolarHBondContact N-O 2.89Å; Q663-T668 CarbonylContact C-O 3.08Å; Q663-T668 WeakPolarHBondContact CA-O 3.48Å
664	T	98	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	168.7	168.7	69.7	0	0	0	0	111.9	V429 V432 Q433 Q469 E666 G667 T668 V670	V429-T664 HydrophobicContact CG1-CG2 3.74Å; V432-T664 HydrophobicContact CG1-CG2 3.96Å; Q433-T664 HydrophobicContact CG-CG2 4.01Å; Q433-T664 WeakPolarHBondContact CG-OG1 3.19Å; Q469-T664 WeakPolarHBondContact O-CA 3.48Å; T664-E666 PolarHBondContact O-N 3.27Å; T664-E666 PolarHBondContact OG1-N 3.05Å; T664-G667 WeakPolarHBondContact O-CA 2.93Å; T664-G667 PolarHBondContact O-N 3.28Å; T664-T668 PolarHBondContact N-O 3.08Å; T664-T668 VanDerWaalsContact OG1-CB 3.23Å; T664-T668 WeakPolarHBondContact OG1-CB 2.97Å; T664-T668 PolarHBondContact OG1-N 3.31Å; T664-T668 VanDerWaalsContact OG1-N 3.09Å; T664-T668 PolarHBondContact OG1-OG1 3.26Å; T664-V670 HydrophobicContact CG2-CG2 3.57Å
665	L	97.5	Very high	97.9	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.6	172	-73.7	166	0	0	0	114	C346 L348 I360 Q364 Y467 Q469 I471 G667	C346-L665 WeakPolarHBondContact CB-O 3.38Å; L348-L665 HydrophobicContact CD1-CB 3.84Å; L348-L665 HydrophobicContact CD1-CD1 4.43Å; I360-L665 HydrophobicContact CG2-CD1 3.64Å; I360-L665 HydrophobicContact CG2-CD2 4.01Å; Q364-L665 HydrophobicContact CB-CD2 3.57Å; Q364-L665 HydrophobicContact CG-CD2 3.84Å; Q364-L665 PolarHBondContact NE2-O 2.72Å; Y467-L665 VanDerWaalsContact C-CD1 3.48Å; Y467-L665 HydrophobicContact CD1-CD1 4.49Å; Y467-L665 WeakPolarHBondContact O-CD1 3.47Å; Q469-L665 HydrophobicContact CG-CD1 3.47Å; Q469-L665 VanDerWaalsContact CG-CD1 3.47Å; Q469-L665 HydrophobicContact CG-CD2 4.46Å; Q469-L665 HydrophobicContact CG-CG 3.82Å; Q469-L665 PolarHBondContact O-N 2.89Å; Q469-L665 VanDerWaalsContact O-N 3.13Å; I471-L665 HydrophobicContact CD1-CD2 4.34Å; I471-L665 HydrophobicContact CG2-CD2 3.63Å; I471-L665 HydrophobicContact CG2-CG 4.04Å; L665-G667 VanDerWaalsContact C-N 3.29Å
666	E	97.6	Very high	97.8	Very high	13 Å²	13	2.7 Å²	2.7	6%	0.061	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	10.2	177.2	-70.8	179.8	120.8	0	0	113.3	S345 C346 L348 Q433 A437 H438 T664 G831	S345-E666 CarbonylContact C-O 3.56Å; S345-E666 WeakPolarHBondContact CA-O 3.42Å; C346-E666 PolarHBondContact N-O 3.4Å; L348-E666 HydrophobicContact CB-CG 4.01Å; L348-E666 HydrophobicContact CD1-CG 4.28Å; L348-E666 HydrophobicContact CD2-CG 4.24Å; L348-E666 HydrophobicContact CG-CG 4.43Å; Q433-E666 WeakPolarHBondContact CB-OE2 3.35Å; Q433-E666 HydrophobicContact CG-CB 4.23Å; Q433-E666 PolarHBondContact NE2-OE2 2.84Å; A437-E666 HydrophobicContact CB-CB 3.93Å; H438-E666 IonicContact CD2-OE1 3.34Å; H438-E666 IonicContact CD2-OE2 2.71Å; H438-E666 IonicContact CE1-OE1 3.15Å; H438-E666 PolarHBondContact CE1-OE1 3.41Å; H438-E666 VanDerWaalsContact NE2-CD 3.33Å; H438-E666 IonicContact NE2-OE1 2.77Å; H438-E666 PolarHBondContact NE2-OE1 3.48Å; H438-E666 IonicContact NE2-OE2 3.25Å; H438-E666 PolarHBondContact NE2-OE2 3.03Å; T664-E666 PolarHBondContact O-N 3.27Å; T664-E666 PolarHBondContact OG1-N 3.05Å; E666-G831 WeakPolarHBondContact OE2-CA 3.39Å; E666-G831 PolarHBondContact OE2-N 3.15Å
667	G	97.2	Very high	97.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.			trans	77.5	22.8	173.5	0	0	0	0	0	114.8	K367 T664 L665	K367-G667 PolarHBondContact NZ-O 3.3Å; T664-G667 WeakPolarHBondContact O-CA 2.93Å; T664-G667 PolarHBondContact O-N 3.28Å; L665-G667 VanDerWaalsContact C-N 3.29Å
668	T	97.8	Very high	96.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.			trans	-78.5	138	172.4	-47.6	0	0	0	0	110.1	V432 S436 Q663 T664	V432-T668 HydrophobicContact CB-CG2 4.26Å; V432-T668 HydrophobicContact CG1-CG2 3.84Å; V432-T668 HydrophobicContact CG2-CG2 3.64Å; S436-T668 VanDerWaalsContact CB-CG2 3.45Å; Q663-T668 CarbonylContact C-O 3.08Å; Q663-T668 WeakPolarHBondContact CA-O 3.48Å; T664-T668 PolarHBondContact N-O 3.08Å; T664-T668 VanDerWaalsContact OG1-CB 3.23Å; T664-T668 WeakPolarHBondContact OG1-CB 2.97Å; T664-T668 PolarHBondContact OG1-N 3.31Å; T664-T668 VanDerWaalsContact OG1-N 3.09Å; T664-T668 PolarHBondContact OG1-OG1 3.26Å
669	P	98.3	Very high	96.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.7	-178	32.1	-39.7	0	0	0	112.9	W341 L372 I376 S443 F444 A445 L661	W341-P669 HydrophobicContact CH2-CG 3.97Å; W341-P669 HydrophobicContact CZ3-CG 3.64Å; L372-P669 HydrophobicContact CD1-CB 4.28Å; L372-P669 HydrophobicContact CD2-CB 4.5Å; I376-P669 HydrophobicContact CD1-CB 4.05Å; I376-P669 HydrophobicContact CG2-CB 4.34Å; I376-P669 HydrophobicContact CG2-CG 4.02Å; S443-P669 WeakPolarHBondContact O-CG 3.49Å; F444-P669 HydrophobicContact CD1-CB 4.13Å; F444-P669 HydrophobicContact CD1-CG 4.32Å; F444-P669 HydrophobicContact CD2-CB 4.44Å; F444-P669 HydrophobicContact CD2-CG 4.12Å; F444-P669 HydrophobicContact CE1-CB 3.8Å; F444-P669 HydrophobicContact CE1-CG 4.4Å; F444-P669 HydrophobicContact CE2-CB 4.12Å; F444-P669 HydrophobicContact CE2-CG 4.19Å; F444-P669 HydrophobicContact CG-CB 4.44Å; F444-P669 HydrophobicContact CG-CG 4.18Å; F444-P669 HydrophobicContact CZ-CB 3.79Å; F444-P669 HydrophobicContact CZ-CG 4.34Å; A445-P669 PolarHBondContact N-O 2.95Å; L661-P669 HydrophobicContact CD1-CB 4.01Å
670	V	98.6	Very high	95.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.6	178.2	-173.2	0	0	0	0	109.4	A445 L447 V470 L661 M662 T664 V672	A445-V670 HydrophobicContact CB-CG1 4.15Å; A445-V670 HydrophobicContact CB-CG2 4.3Å; A445-V670 CarbonylContact O-C 3.53Å; A445-V670 WeakPolarHBondContact O-CA 3.21Å; L447-V670 HydrophobicContact CD1-CG1 4.03Å; L447-V670 HydrophobicContact CG-CG1 3.99Å; V470-V670 HydrophobicContact CG1-CB 4.29Å; V470-V670 HydrophobicContact CG1-CG1 4.4Å; V470-V670 HydrophobicContact CG1-CG2 4.34Å; V470-V670 HydrophobicContact CG2-CB 4.43Å; V470-V670 HydrophobicContact CG2-CG1 3.97Å; V470-V670 HydrophobicContact CG2-CG2 4.12Å; L661-V670 CarbonylContact C-O 3.58Å; L661-V670 WeakPolarHBondContact CA-O 3.49Å; M662-V670 PolarHBondContact N-O 3.13Å; M662-V670 PolarHBondContact O-N 3.29Å; T664-V670 HydrophobicContact CG2-CG2 3.57Å; V670-V672 HydrophobicContact CG1-CG2 4.22Å
671	F	98.8	Very high	95.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.9	162.3	-78.2	-48.3	0	0	0	109.9	V393 F444 A445 C446 L447 P659 T660 L661 A689 L692 A693 L696	V393-F671 HydrophobicContact CB-CE1 3.94Å; V393-F671 HydrophobicContact CB-CZ 4.21Å; V393-F671 HydrophobicContact CG1-CZ 4.31Å; V393-F671 HydrophobicContact CG2-CE1 3.73Å; V393-F671 HydrophobicContact CG2-CZ 4.19Å; F444-F671 AromaticContact CD1-CD2 3.9Å; F444-F671 HydrophobicContact CD1-CD2 3.9Å; F444-F671 HydrophobicContact CD1-CE2 4.35Å; F444-F671 HydrophobicContact CD1-CG 4.32Å; F444-F671 HydrophobicContact CE1-CB 4.27Å; F444-F671 HydrophobicContact CE1-CD1 4.08Å; F444-F671 AromaticContact CE1-CD2 3.38Å; F444-F671 HydrophobicContact CE1-CD2 3.38Å; F444-F671 HydrophobicContact CE1-CE1 4.29Å; F444-F671 AromaticContact CE1-CE2 3.62Å; F444-F671 HydrophobicContact CE1-CE2 3.62Å; F444-F671 AromaticContact CE1-CG 3.62Å; F444-F671 HydrophobicContact CE1-CG 3.62Å; F444-F671 HydrophobicContact CE1-CZ 4.07Å; F444-F671 HydrophobicContact CE2-CE2 4.04Å; F444-F671 HydrophobicContact CE2-CZ 4.45Å; F444-F671 HydrophobicContact CZ-CD1 4.41Å; F444-F671 AromaticContact CZ-CD2 3.76Å; F444-F671 HydrophobicContact CZ-CD2 3.76Å; F444-F671 HydrophobicContact CZ-CE1 4.15Å; F444-F671 AromaticContact CZ-CE2 3.43Å; F444-F671 HydrophobicContact CZ-CE2 3.43Å; F444-F671 VanDerWaalsContact CZ-CE2 3.43Å; F444-F671 HydrophobicContact CZ-CG 4.22Å; F444-F671 AromaticContact CZ-CZ 3.65Å; F444-F671 HydrophobicContact CZ-CZ 3.65Å; A445-F671 PolarHBondContact O-N 2.85Å; C446-F671 WeakPolarHBondContact CA-O 3.47Å; L447-F671 PolarHBondContact N-O 3.44Å; P659-F671 HydrophobicContact CB-CB 4.29Å; P659-F671 HydrophobicContact CB-CD1 3.63Å; P659-F671 HydrophobicContact CB-CD2 4.49Å; P659-F671 HydrophobicContact CB-CE1 4.02Å; P659-F671 HydrophobicContact CB-CG 3.91Å; T660-F671 CarbonylContact O-C 3.46Å; T660-F671 WeakPolarHBondContact O-CA 3.3Å; L661-F671 HydrophobicContact CB-CD1 4.35Å; L661-F671 HydrophobicContact CB-CE1 4.12Å; L661-F671 HydrophobicContact CD1-CE1 4.46Å; F671-A689 HydrophobicContact CB-CB 3.94Å; F671-A689 HydrophobicContact CD2-CB 4.32Å; F671-A689 WeakPolarHBondContact CD2-O 3.26Å; F671-A689 HydrophobicContact CG-CB 4.34Å; F671-L692 HydrophobicContact CE2-CB 3.79Å; F671-L692 HydrophobicContact CZ-CB 4.19Å; F671-L692 HydrophobicContact CZ-CD1 4.35Å; F671-A693 HydrophobicContact CD2-CB 4.08Å; F671-A693 HydrophobicContact CE2-CB 4.18Å; F671-L696 HydrophobicContact CE2-CD1 4.4Å; F671-L696 HydrophobicContact CZ-CD1 4.3Å
672	V	98.4	Very high	95.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.6	171.6	-171.6	0	0	0	0	106.6	Q449 F476 L480 T660 M662 V670	Q449-V672 HydrophobicContact CB-CG1 4.1Å; F476-V672 HydrophobicContact CD2-CG1 4.09Å; F476-V672 HydrophobicContact CD2-CG2 3.86Å; F476-V672 HydrophobicContact CE2-CB 4.28Å; F476-V672 HydrophobicContact CE2-CG1 3.63Å; F476-V672 HydrophobicContact CE2-CG2 3.58Å; F476-V672 HydrophobicContact CZ-CG1 4.26Å; L480-V672 HydrophobicContact CD2-CB 4.12Å; L480-V672 HydrophobicContact CD2-CG1 3.76Å; T660-V672 WeakPolarHBondContact CB-O 3.4Å; T660-V672 PolarHBondContact N-O 3.37Å; T660-V672 PolarHBondContact O-N 2.8Å; M662-V672 HydrophobicContact CB-CG2 4.43Å; M662-V672 HydrophobicContact CG-CG2 4.25Å; M662-V672 HydrophobicContact SD-CG2 3.9Å; V670-V672 HydrophobicContact CG1-CG2 4.22Å
673	H	98.4	Very high	95.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.			trans	-159.1	130.1	-176.1	-162.2	-131.1	0	0	0	114.6	L447 D483 A656 I657 K658 P659 S685 S686 A689	L447-H673 PolarHBondContact O-N 3.08Å; L447-H673 VanDerWaalsContact O-N 3.07Å; D483-H673 IonicContact OD2-CD2 3.61Å; D483-H673 PolarHBondContact OD2-CD2 3.41Å; D483-H673 IonicContact OD2-NE2 3.36Å; A656-H673 PolarHBondContact O-NE2 3.47Å; I657-H673 VanDerWaalsContact C-CE1 3.46Å; I657-H673 PolarHBondContact O-CE1 3.28Å; K658-H673 PolarHBondContact O-CD2 2.81Å; K658-H673 VanDerWaalsContact O-CD2 3.3Å; K658-H673 PolarHBondContact O-NE2 2.86Å; K658-H673 VanDerWaalsContact O-NE2 3.13Å; P659-H673 HydrophobicContact CB-CB 3.93Å; P659-H673 HydrophobicContact CG-CB 4.32Å; H673-S685 WeakPolarHBondContact O-CA 3.41Å; H673-S686 VanDerWaalsContact ND1-CB 3.3Å; H673-S686 WeakPolarHBondContact ND1-CB 3.22Å; H673-S686 PolarHBondContact ND1-OG 2.78Å; H673-S686 PolarHBondContact O-N 3.48Å; H673-A689 HydrophobicContact CB-CB 4.19Å
674	A	96.8	Very high	95.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.			trans	57.5	160.6	-169.9	0	0	0	0	0	114.1	R448 Q449 M608 L611 A612	R448-A674 CarbonylContact C-O 3.56Å; R448-A674 WeakPolarHBondContact CA-O 3.38Å; Q449-A674 PolarHBondContact N-O 3.17Å; M608-A674 HydrophobicContact SD-CB 3.84Å; L611-A674 HydrophobicContact CD2-CB 4.07Å; L611-A674 HydrophobicContact CG-CB 4.06Å; A612-A674 HydrophobicContact CB-CB 3.75Å
675	G	93.4	Very high	95.1	Very high	8 Å²	8	6.2 Å²	6.2	8%	0.082	3%	0.034	C	C	.	.			trans	-152.6	42.2	-177	0	0	0	0	0	115.2	Q449 M608	Q449-G675 WeakPolarHBondContact O-CA 3.45Å; M608-G675 PolarHBondContact SD-N 3.14Å
676	P	94.9	Very high	95.1	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.013	3%	0.034	C	C	.	.			trans	-58.1	144.4	-175.9	27.5	-37.1	0	0	0	112.7	M608 A612 A678 A681 G683 S684	M608-P676 HydrophobicContact CG-CB 4.06Å; A612-P676 HydrophobicContact CB-CG 3.75Å; P676-A678 PolarHBondContact O-N 3.01Å; P676-A681 HydrophobicContact CB-CB 4.06Å; P676-G683 WeakPolarHBondContact O-CA 3.46Å; P676-S684 VanDerWaalsContact CD-O 3.28Å; P676-S684 WeakPolarHBondContact CD-O 3.49Å; P676-S684 WeakPolarHBondContact CG-O 3.29Å
677	F	89.3	Confident	95.2	Very high	48 Å²	48	5.5 Å²	5.5	21%	0.211	3%	0.031	C	C	.	.			trans	-53.7	132.8	170.3	-96.1	26.7	0	0	0	112.1	I601 V603 A604 N679 I680 A681	I601-F677 HydrophobicContact CG2-CE1 3.76Å; I601-F677 HydrophobicContact CG2-CE2 4.4Å; I601-F677 HydrophobicContact CG2-CZ 3.59Å; V603-F677 HydrophobicContact CG2-CD1 3.76Å; V603-F677 HydrophobicContact CG2-CE1 3.54Å; V603-F677 PolarHBondContact O-N 3.16Å; A604-F677 HydrophobicContact CB-CD2 4.18Å; A604-F677 HydrophobicContact CB-CE2 4.34Å; A604-F677 HydrophobicContact CB-CG 4.33Å; F677-N679 VanDerWaalsContact C-N 3.3Å; F677-N679 PolarHBondContact O-N 2.88Å; F677-I680 HydrophobicContact CB-CG1 3.89Å; F677-I680 HydrophobicContact CD2-CG1 4.31Å; F677-A681 CarbonylContact O-C 3.48Å; F677-A681 VanDerWaalsContact O-CA 3.25Å; F677-A681 WeakPolarHBondContact O-CA 3.43Å; F677-A681 VanDerWaalsContact O-CB 3.29Å; F677-A681 WeakPolarHBondContact O-CB 3.38Å; F677-A681 PolarHBondContact O-N 3.35Å
678	A	86.7	Confident	95.3	Very high	8 Å²	8	5.6 Å²	5.6	7%	0.066	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.8	175.1	0	0	0	0	0	114.1	P676 A681 G683 F709 I713 K717	P676-A678 PolarHBondContact O-N 3.01Å; A678-A681 CarbonylContact C-O 3.56Å; A678-G683 VanDerWaalsContact CA-CA 3.47Å; A678-F709 HydrophobicContact CB-CD2 3.4Å; A678-F709 VanDerWaalsContact CB-CD2 3.4Å; A678-F709 HydrophobicContact CB-CE2 3.44Å; A678-F709 VanDerWaalsContact CB-CE2 3.44Å; A678-F709 HydrophobicContact CB-CG 4.3Å; A678-F709 HydrophobicContact CB-CZ 4.36Å; A678-I713 VanDerWaalsContact O-CG2 3.25Å; A678-I713 WeakPolarHBondContact O-CG2 3.26Å; A678-K717 PolarHBondContact O-NZ 3.21Å
679	N	85.4	Confident	95.3	Very high	24 Å²	24	5.6 Å²	5.6	13%	0.128	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-68.7	173.7	-74.7	-24.2	0	0	0	110.9	F677 F709 K717 A904 M946	F677-N679 VanDerWaalsContact C-N 3.3Å; F677-N679 PolarHBondContact O-N 2.88Å; N679-F709 WeakPolarHBondContact OD1-CE2 3.5Å; N679-K717 PolarHBondContact O-NZ 2.65Å; N679-A904 WeakPolarHBondContact O-CA 3.46Å; N679-A904 WeakPolarHBondContact O-CB 3.45Å; N679-M946 HydrophobicContact CB-SD 4.24Å
680	I	88.9	Confident	95.3	Very high	18 Å²	18	5.6 Å²	5.6	9%	0.092	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-17	-175.4	59.3	162	0	0	0	113.9	A604 F677 C902 A904 F938 F940 T948	A604-I680 HydrophobicContact CB-CD1 4.01Å; F677-I680 HydrophobicContact CB-CG1 3.89Å; F677-I680 HydrophobicContact CD2-CG1 4.31Å; I680-C902 VanDerWaalsContact C-SG 3.59Å; I680-C902 PolarHBondContact O-SG 3.3Å; I680-A904 HydrophobicContact CG2-CB 4.31Å; I680-F938 WeakPolarHBondContact O-CE2 3.46Å; I680-F940 HydrophobicContact CB-CD2 4.09Å; I680-F940 HydrophobicContact CB-CE2 4.13Å; I680-F940 HydrophobicContact CG2-CD2 4.24Å; I680-F940 HydrophobicContact CG2-CE2 4.19Å; I680-T948 HydrophobicContact CD1-CG2 4.1Å
681	A	94.8	Very high	95.3	Very high	7 Å²	7	7.5 Å²	7.5	6%	0.058	4%	0.04	C	C	.	.	S	Bend	trans	-128	-173.4	175.3	0	0	0	0	0	110.4	A609 P676 F677 A678 G683 K717 C902 F938	A609-A681 HydrophobicContact CB-CB 4.16Å; P676-A681 HydrophobicContact CB-CB 4.06Å; F677-A681 CarbonylContact O-C 3.48Å; F677-A681 VanDerWaalsContact O-CA 3.25Å; F677-A681 WeakPolarHBondContact O-CA 3.43Å; F677-A681 VanDerWaalsContact O-CB 3.29Å; F677-A681 WeakPolarHBondContact O-CB 3.38Å; F677-A681 PolarHBondContact O-N 3.35Å; A678-A681 CarbonylContact C-O 3.56Å; A681-G683 VanDerWaalsContact C-N 3.33Å; A681-G683 PolarHBondContact O-N 3.48Å; A681-K717 WeakPolarHBondContact O-CD 3.33Å; A681-K717 PolarHBondContact O-NZ 3.48Å; A681-C902 WeakPolarHBondContact CA-SG 3.37Å; A681-C902 PolarHBondContact O-SG 2.91Å; A681-C902 VanDerWaalsContact O-SG 3.41Å; A681-F938 HydrophobicContact CB-CZ 3.8Å
682	H	95.8	Very high	95.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.04	C	C	.	.			trans	-83.4	2	-169.4	72.4	-83.6	0	0	0	115.1	A612 L613 S684 K717 I721	A612-H682 VanDerWaalsContact CB-CE1 3.47Å; A612-H682 WeakPolarHBondContact CB-CE1 3.43Å; L613-H682 VanDerWaalsContact CG-CE1 3.45Å; L613-H682 WeakPolarHBondContact CG-CE1 3.37Å; H682-S684 VanDerWaalsContact C-N 3.33Å; H682-S684 PolarHBondContact O-N 3.37Å; H682-S684 VanDerWaalsContact O-N 3.13Å; H682-S684 PolarHBondContact O-OG 2.85Å; H682-K717 HydrophobicContact CB-CB 3.98Å; H682-I721 HydrophobicContact CB-CB 4.21Å; H682-I721 HydrophobicContact CB-CD1 4.06Å; H682-I721 HydrophobicContact CB-CG2 4.33Å
683	G	95	Very high	95.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.			trans	63.6	24.6	161.7	0	0	0	0	0	118	R448 P676 A678 A681 G708	R448-G683 WeakPolarHBondContact CD-O 3.44Å; P676-G683 WeakPolarHBondContact O-CA 3.46Å; A678-G683 VanDerWaalsContact CA-CA 3.47Å; A681-G683 VanDerWaalsContact C-N 3.33Å; A681-G683 PolarHBondContact O-N 3.48Å; G683-G708 PolarHBondContact O-N 2.96Å
684	S	96.1	Very high	95.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-125.1	165.6	-173.3	-51.9	0	0	0	0	112	R448 P676 H682	R448-S684 VanDerWaalsContact CG-C 3.45Å; P676-S684 VanDerWaalsContact CD-O 3.28Å; P676-S684 WeakPolarHBondContact CD-O 3.49Å; P676-S684 WeakPolarHBondContact CG-O 3.29Å; H682-S684 VanDerWaalsContact C-N 3.33Å; H682-S684 PolarHBondContact O-N 3.37Å; H682-S684 VanDerWaalsContact O-N 3.13Å; H682-S684 PolarHBondContact O-OG 2.85Å
685	S	97.6	Very high	95.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.			trans	-64.4	168.3	166.9	54.3	0	0	0	0	111.5	C446 L447 H673 T705 K722	C446-S685 WeakPolarHBondContact O-CB 3.35Å; C446-S685 PolarHBondContact O-OG 3.44Å; C446-S685 VanDerWaalsContact O-OG 3.09Å; L447-S685 WeakPolarHBondContact O-CB 3.47Å; H673-S685 WeakPolarHBondContact O-CA 3.41Å; S685-T705 PolarHBondContact OG-OG1 3.28Å; S685-T705 VanDerWaalsContact OG-OG1 3.08Å; S685-K722 VanDerWaalsContact O-CE 3.3Å; S685-K722 WeakPolarHBondContact O-CE 3.44Å; S685-K722 PolarHBondContact O-NZ 3.21Å; S685-K722 PolarHBondContact OG-NZ 3.11Å; S685-K722 VanDerWaalsContact OG-NZ 3.14Å
686	S	98.6	Very high	95.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.			trans	-70.9	144.9	-175.6	87.2	0	0	0	0	115	A612 H673 L688 A689 D690	A612-S686 CarbonylContact O-C 3.51Å; A612-S686 WeakPolarHBondContact O-CA 3.45Å; H673-S686 VanDerWaalsContact ND1-CB 3.3Å; H673-S686 WeakPolarHBondContact ND1-CB 3.22Å; H673-S686 PolarHBondContact ND1-OG 2.78Å; H673-S686 PolarHBondContact O-N 3.48Å; S686-L688 VanDerWaalsContact C-N 3.27Å; S686-L688 PolarHBondContact O-N 2.86Å; S686-A689 WeakPolarHBondContact O-CB 3.25Å; S686-A689 PolarHBondContact O-N 3.05Å; S686-A689 VanDerWaalsContact O-N 3.08Å; S686-A689 PolarHBondContact OG-N 3Å; S686-A689 VanDerWaalsContact OG-N 3.15Å; S686-D690 PolarHBondContact O-N 3.24Å; S686-D690 VanDerWaalsContact O-OD2 3.06Å
687	V	98.8	Very high	95.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-51.1	-41.9	169.9	166.5	0	0	0	0	113.2	A612 D615 A689 D690 K691 K722 S726	A612-V687 WeakPolarHBondContact O-CG2 3.31Å; A612-V687 PolarHBondContact O-N 3.24Å; D615-V687 HydrophobicContact CB-CG1 4.5Å; V687-A689 PolarHBondContact O-N 3.47Å; V687-D690 PolarHBondContact O-N 3.07Å; V687-K691 HydrophobicContact CG1-CD 4.11Å; V687-K691 HydrophobicContact CG1-CG 4.37Å; V687-K691 WeakPolarHBondContact O-CG 3.38Å; V687-K691 PolarHBondContact O-N 2.97Å; V687-K722 HydrophobicContact CG2-CG 3.88Å; V687-S726 VanDerWaalsContact CG1-CB 3.43Å
688	L	98.7	Very high	95.6	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-63	-36.3	178.9	-80.5	167.7	0	0	0	113.7	L395 L398 D615 I657 P659 S686 K691 L692	L395-L688 HydrophobicContact CD1-CD1 3.8Å; L395-L688 HydrophobicContact CD1-CD2 4.16Å; L395-L688 HydrophobicContact CD2-CD1 4.16Å; L395-L688 HydrophobicContact CD2-CD2 4.09Å; L398-L688 HydrophobicContact CD1-CD2 3.8Å; D615-L688 VanDerWaalsContact O-CD2 3.22Å; D615-L688 WeakPolarHBondContact O-CD2 3.49Å; I657-L688 HydrophobicContact CD1-CD1 3.96Å; I657-L688 HydrophobicContact CG1-CD1 3.65Å; P659-L688 HydrophobicContact CG-CB 4.35Å; S686-L688 VanDerWaalsContact C-N 3.27Å; S686-L688 PolarHBondContact O-N 2.86Å; L688-K691 PolarHBondContact O-N 3.38Å; L688-L692 WeakPolarHBondContact O-CB 3.42Å; L688-L692 VanDerWaalsContact O-CG 3.26Å; L688-L692 WeakPolarHBondContact O-CG 3.43Å; L688-L692 PolarHBondContact O-N 3.08Å
689	A	98.7	Very high	95.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-45.3	177.9	0	0	0	0	0	111	P659 F671 H673 S686 V687 A693	P659-A689 HydrophobicContact CB-CB 3.93Å; P659-A689 HydrophobicContact CG-CB 3.83Å; F671-A689 HydrophobicContact CB-CB 3.94Å; F671-A689 HydrophobicContact CD2-CB 4.32Å; F671-A689 WeakPolarHBondContact CD2-O 3.26Å; F671-A689 HydrophobicContact CG-CB 4.34Å; H673-A689 HydrophobicContact CB-CB 4.19Å; S686-A689 WeakPolarHBondContact O-CB 3.25Å; S686-A689 PolarHBondContact O-N 3.05Å; S686-A689 VanDerWaalsContact O-N 3.08Å; S686-A689 PolarHBondContact OG-N 3Å; S686-A689 VanDerWaalsContact OG-N 3.15Å; V687-A689 PolarHBondContact O-N 3.47Å; A689-A693 VanDerWaalsContact O-CB 3.23Å; A689-A693 WeakPolarHBondContact O-CB 3.42Å; A689-A693 PolarHBondContact O-N 3.38Å
690	D	98.7	Very high	96.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.9	-40.9	176.6	-47.3	-72.1	0	0	0	111.4	Y409 C446 S686 V687 A693 L694 T705 K722 L728	Y409-D690 HydrophobicContact CE2-CB 3.69Å; Y409-D690 PolarHBondContact OH-OD2 3.36Å; C446-D690 VanDerWaalsContact CB-OD1 3.29Å; C446-D690 WeakPolarHBondContact CB-OD1 3.46Å; S686-D690 PolarHBondContact O-N 3.24Å; S686-D690 VanDerWaalsContact O-OD2 3.06Å; V687-D690 PolarHBondContact O-N 3.07Å; D690-A693 PolarHBondContact O-N 3.43Å; D690-L694 VanDerWaalsContact O-CB 3.25Å; D690-L694 WeakPolarHBondContact O-CB 3.19Å; D690-L694 WeakPolarHBondContact O-CG 3.18Å; D690-L694 PolarHBondContact O-N 2.9Å; D690-T705 WeakPolarHBondContact OD1-CB 3.27Å; D690-T705 PolarHBondContact OD1-OG1 3.48Å; D690-K722 IonicContact OD1-NZ 2.65Å; D690-K722 WeakPolarHBondContact OD2-CE 3.29Å; D690-K722 IonicContact OD2-NZ 2.69Å; D690-K722 PolarHBondContact OD2-NZ 3.12Å; D690-L728 HydrophobicContact CB-CD1 3.97Å
691	K	98.6	Very high	96.6	Very high	41 Å²	41	14.1 Å²	14.1	18%	0.178	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-47.2	177.7	-75.4	-171.7	176.4	-173.8	0	112.5	L398 V687 L688 A693 L694 K695 S726 L728	L398-K691 HydrophobicContact CD1-CB 4.49Å; L398-K691 HydrophobicContact CD2-CB 4.06Å; V687-K691 HydrophobicContact CG1-CD 4.11Å; V687-K691 HydrophobicContact CG1-CG 4.37Å; V687-K691 WeakPolarHBondContact O-CG 3.38Å; V687-K691 PolarHBondContact O-N 2.97Å; L688-K691 PolarHBondContact O-N 3.38Å; K691-A693 VanDerWaalsContact C-N 3.34Å; K691-A693 PolarHBondContact O-N 3.14Å; K691-L694 PolarHBondContact O-N 3.34Å; K691-K695 PolarHBondContact O-N 2.74Å; K691-K695 VanDerWaalsContact O-N 3.12Å; K691-S726 WeakPolarHBondContact CE-O 3.34Å; K691-S726 PolarHBondContact NZ-O 3.47Å; K691-L728 HydrophobicContact CG-CD1 4.1Å; K691-L728 HydrophobicContact CG-CD2 4.44Å; K691-L728 HydrophobicContact CG-CG 4.5Å
692	L	98.3	Very high	96.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.2	-45.5	175.8	-70.1	173.1	0	0	0	110.9	V393 L395 L397 L398 P659 F671 L688 K695 L696	V393-L692 HydrophobicContact CG1-CD1 4.36Å; L395-L692 HydrophobicContact CD2-CD1 4.18Å; L397-L692 HydrophobicContact CB-CD2 3.76Å; L397-L692 HydrophobicContact CD1-CD2 4.48Å; L397-L692 HydrophobicContact CD2-CB 4.44Å; L397-L692 HydrophobicContact CD2-CD2 3.58Å; L397-L692 HydrophobicContact CG-CD2 4.13Å; L398-L692 HydrophobicContact CD1-CD2 4.46Å; L398-L692 HydrophobicContact CD2-CD2 3.76Å; L398-L692 HydrophobicContact CD2-CG 4.26Å; L398-L692 HydrophobicContact CG-CD2 3.68Å; L398-L692 HydrophobicContact CG-CG 4.43Å; P659-L692 HydrophobicContact CB-CD1 4.39Å; P659-L692 HydrophobicContact CG-CD1 3.71Å; F671-L692 HydrophobicContact CE2-CB 3.79Å; F671-L692 HydrophobicContact CZ-CB 4.19Å; F671-L692 HydrophobicContact CZ-CD1 4.35Å; L688-L692 WeakPolarHBondContact O-CB 3.42Å; L688-L692 VanDerWaalsContact O-CG 3.26Å; L688-L692 WeakPolarHBondContact O-CG 3.43Å; L688-L692 PolarHBondContact O-N 3.08Å; L692-K695 PolarHBondContact O-N 3.35Å; L692-L696 WeakPolarHBondContact O-CB 3.46Å; L692-L696 WeakPolarHBondContact O-CG 3.34Å; L692-L696 PolarHBondContact O-N 2.63Å
693	A	98.4	Very high	96.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-43.2	178.4	0	0	0	0	0	112.3	F444 F671 A689 D690 K691 K695 L696 V697 V703	F444-A693 HydrophobicContact CB-CB 3.74Å; F444-A693 HydrophobicContact CD1-CB 4.22Å; F444-A693 HydrophobicContact CD2-CB 3.87Å; F444-A693 HydrophobicContact CG-CB 3.7Å; F671-A693 HydrophobicContact CD2-CB 4.08Å; F671-A693 HydrophobicContact CE2-CB 4.18Å; A689-A693 VanDerWaalsContact O-CB 3.23Å; A689-A693 WeakPolarHBondContact O-CB 3.42Å; A689-A693 PolarHBondContact O-N 3.38Å; D690-A693 PolarHBondContact O-N 3.43Å; K691-A693 VanDerWaalsContact C-N 3.34Å; K691-A693 PolarHBondContact O-N 3.14Å; A693-K695 VanDerWaalsContact C-N 3.33Å; A693-K695 PolarHBondContact O-N 3.23Å; A693-L696 PolarHBondContact O-N 2.9Å; A693-V697 WeakPolarHBondContact O-CG1 3.35Å; A693-V697 WeakPolarHBondContact O-CG2 3.41Å; A693-V697 PolarHBondContact O-N 2.8Å; A693-V703 HydrophobicContact CB-CB 4.44Å; A693-V703 HydrophobicContact CB-CG1 3.93Å; A693-V703 HydrophobicContact CB-CG2 3.59Å
694	L	98.3	Very high	97.1	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-36.4	-178.6	-78.8	167.9	0	0	0	112	D406 G407 Y409 D690 K691 G698 V703 L728	D406-L694 HydrophobicContact CB-CB 4.18Å; G407-L694 PolarHBondContact N-O 2.93Å; G407-L694 WeakPolarHBondContact O-CD2 3.38Å; Y409-L694 HydrophobicContact CD2-CD1 4.06Å; Y409-L694 HydrophobicContact CD2-CD2 4.32Å; Y409-L694 HydrophobicContact CD2-CG 4.47Å; Y409-L694 HydrophobicContact CE2-CD1 4.44Å; Y409-L694 HydrophobicContact CG-CD1 4.21Å; Y409-L694 HydrophobicContact CG-CD2 4.48Å; D690-L694 VanDerWaalsContact O-CB 3.25Å; D690-L694 WeakPolarHBondContact O-CB 3.19Å; D690-L694 WeakPolarHBondContact O-CG 3.18Å; D690-L694 PolarHBondContact O-N 2.9Å; K691-L694 PolarHBondContact O-N 3.34Å; L694-G698 PolarHBondContact O-N 3.46Å; L694-V703 HydrophobicContact CB-CG2 4.35Å; L694-V703 HydrophobicContact CD2-CB 3.89Å; L694-V703 HydrophobicContact CD2-CG2 3.66Å; L694-V703 HydrophobicContact CG-CB 4.14Å; L694-V703 HydrophobicContact CG-CG2 3.76Å; L694-L728 HydrophobicContact CD1-CD1 3.7Å; L694-L728 HydrophobicContact CD1-CD2 3.6Å; L694-L728 HydrophobicContact CD1-CG 4.22Å
695	K	95.9	Very high	97.2	Very high	28 Å²	28	14.4 Å²	14.4	12%	0.122	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-53.9	168.3	-67.7	-48.3	-164.3	-170.9	0	111.3	L397 L398 L401 H402 Q404 D406 K691 L692 A693 V697 G698	L397-K695 HydrophobicContact CD2-CB 4.28Å; L398-K695 HydrophobicContact CD2-CG 4.14Å; L401-K695 HydrophobicContact CB-CB 3.92Å; L401-K695 HydrophobicContact CB-CG 4.25Å; L401-K695 HydrophobicContact CD1-CB 4.12Å; L401-K695 VanDerWaalsContact O-CD 3.32Å; L401-K695 WeakPolarHBondContact O-CD 3.41Å; L401-K695 VanDerWaalsContact O-CE 3.23Å; L401-K695 WeakPolarHBondContact O-CE 3.33Å; H402-K695 PolarHBondContact O-NZ 3Å; H402-K695 VanDerWaalsContact O-NZ 3.13Å; Q404-K695 VanDerWaalsContact CD-O 3.27Å; Q404-K695 PolarHBondContact NE2-O 3.42Å; Q404-K695 WeakPolarHBondContact O-CD 3Å; Q404-K695 PolarHBondContact O-NZ 3.47Å; D406-K695 WeakPolarHBondContact OD1-CD 3.35Å; D406-K695 WeakPolarHBondContact OD1-CE 3.08Å; D406-K695 IonicContact OD1-NZ 3.84Å; D406-K695 PolarHBondContact OD1-NZ 2.72Å; K691-K695 PolarHBondContact O-N 2.74Å; K691-K695 VanDerWaalsContact O-N 3.12Å; L692-K695 PolarHBondContact O-N 3.35Å; A693-K695 VanDerWaalsContact C-N 3.33Å; A693-K695 PolarHBondContact O-N 3.23Å; K695-V697 PolarHBondContact O-N 2.85Å; K695-G698 PolarHBondContact O-N 3.26Å; K695-G698 VanDerWaalsContact O-N 3.12Å
696	L	95.1	Very high	97.2	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-56.7	-42.1	-176.8	-83.5	166.7	0	0	0	113.9	W341 L378 L397 L401 F444 F671 L692 A693	W341-L696 HydrophobicContact CZ2-CB 4.24Å; W341-L696 WeakPolarHBondContact CZ2-O 3.47Å; L378-L696 HydrophobicContact CD2-CD1 3.94Å; L378-L696 HydrophobicContact CD2-CD2 4.05Å; L378-L696 HydrophobicContact CG-CD2 4.44Å; L397-L696 HydrophobicContact CD1-CD1 3.9Å; L397-L696 HydrophobicContact CD1-CD2 3.96Å; L397-L696 HydrophobicContact CD1-CG 3.93Å; L397-L696 HydrophobicContact CD2-CG 4.19Å; L401-L696 HydrophobicContact CD1-CD2 4.44Å; F444-L696 HydrophobicContact CD2-CB 4.47Å; F444-L696 HydrophobicContact CE2-CB 4.22Å; F444-L696 HydrophobicContact CE2-CD1 3.71Å; F444-L696 HydrophobicContact CZ-CD1 4.28Å; F671-L696 HydrophobicContact CE2-CD1 4.4Å; F671-L696 HydrophobicContact CZ-CD1 4.3Å; L692-L696 WeakPolarHBondContact O-CB 3.46Å; L692-L696 WeakPolarHBondContact O-CG 3.34Å; L692-L696 PolarHBondContact O-N 2.63Å; A693-L696 PolarHBondContact O-N 2.9Å
697	V	95.9	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-74.9	-25.2	-180	-57.3	0	0	0	0	113	Y338 W341 N442 F444 A693 K695 V703	Y338-V697 WeakPolarHBondContact CE2-O 3.31Å; W341-V697 HydrophobicContact CH2-CG1 3.66Å; W341-V697 HydrophobicContact CZ2-CG1 4Å; N442-V697 HydrophobicContact CB-CB 4.11Å; N442-V697 WeakPolarHBondContact CB-O 3.41Å; F444-V697 HydrophobicContact CB-CG1 4.03Å; F444-V697 HydrophobicContact CD2-CG1 4.13Å; A693-V697 WeakPolarHBondContact O-CG1 3.35Å; A693-V697 WeakPolarHBondContact O-CG2 3.41Å; A693-V697 PolarHBondContact O-N 2.8Å; K695-V697 PolarHBondContact O-N 2.85Å; V697-V703 HydrophobicContact CG1-CG2 4.22Å; V697-V703 HydrophobicContact CG2-CG2 3.83Å
698	G	93.5	Very high	96.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.			trans	66.5	174.1	-176.7	0	0	0	0	0	114.8	G407 L694 K695 D700 G701	G407-G698 WeakPolarHBondContact CA-O 3.38Å; L694-G698 PolarHBondContact O-N 3.46Å; K695-G698 PolarHBondContact O-N 3.26Å; K695-G698 VanDerWaalsContact O-N 3.12Å; G698-D700 VanDerWaalsContact C-N 3.29Å; G698-D700 PolarHBondContact O-N 3.42Å; G698-D700 VanDerWaalsContact O-N 3.1Å; G698-G701 WeakPolarHBondContact O-CA 3.38Å; G698-G701 PolarHBondContact O-N 3.49Å
699	Q	92.7	Very high	96.4	Very high	113 Å²	113	17.1 Å²	17.1	53%	0.528	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-39.5	-171.8	-179.5	170.1	-12.8	0	0	116.2	P405	P405-Q699 HydrophobicContact CB-CB 4.05Å; P405-Q699 HydrophobicContact CG-CB 3.8Å; P405-Q699 PolarHBondContact O-N 2.93Å
700	D	92.7	Very high	96.2	Very high	97 Å²	97	17.1 Å²	17.1	52%	0.519	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.3	-178.6	-58.3	-45.8	0	0	0	113.4	Y338 G698 Y702	Y338-D700 HydrophobicContact CE1-CB 4.41Å; G698-D700 VanDerWaalsContact C-N 3.29Å; G698-D700 PolarHBondContact O-N 3.42Å; G698-D700 VanDerWaalsContact O-N 3.1Å; D700-Y702 WeakPolarHBondContact O-CE2 3.4Å
701	G	96.4	Very high	96.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.			trans	-93.2	176.3	178.8	0	0	0	0	0	114	K408 N442 G698	K408-G701 WeakPolarHBondContact CB-O 3.4Å; K408-G701 PolarHBondContact N-O 3.43Å; N442-G701 CarbonylContact O-C 3.59Å; N442-G701 WeakPolarHBondContact O-CA 3.38Å; G698-G701 WeakPolarHBondContact O-CA 3.38Å; G698-G701 PolarHBondContact O-N 3.49Å
702	Y	98.4	Very high	96	Very high	14 Å²	14	15.1 Å²	15.1	6%	0.055	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.1	-168.5	-68.1	-105.2	0	0	0	112.8	K408 V410 L435 L441 N442 S443 F444 D700 A845	K408-Y702 HydrophobicContact CB-CD1 3.7Å; K408-Y702 HydrophobicContact CB-CE1 3.77Å; K408-Y702 HydrophobicContact CB-CG 4.16Å; K408-Y702 HydrophobicContact CG-CD1 4.31Å; K408-Y702 HydrophobicContact CG-CE1 3.93Å; K408-Y702 HydrophobicContact CG-CE2 4.39Å; K408-Y702 CarbonylContact O-C 3.22Å; K408-Y702 WeakPolarHBondContact O-CA 3.47Å; V410-Y702 HydrophobicContact CG2-CD1 4.12Å; L435-Y702 HydrophobicContact CD1-CD1 4.49Å; L435-Y702 HydrophobicContact CD1-CG 4.29Å; L435-Y702 HydrophobicContact CD2-CD1 4.45Å; L435-Y702 HydrophobicContact CD2-CD2 4.5Å; L435-Y702 HydrophobicContact CD2-CG 4.34Å; L441-Y702 HydrophobicContact CB-CD2 4.47Å; L441-Y702 HydrophobicContact CD1-CD2 4.12Å; L441-Y702 HydrophobicContact CD1-CE2 3.87Å; N442-Y702 PolarHBondContact O-N 3.44Å; S443-Y702 CarbonylContact C-O 3.59Å; S443-Y702 WeakPolarHBondContact CA-O 3.4Å; F444-Y702 PolarHBondContact N-O 2.88Å; D700-Y702 WeakPolarHBondContact O-CE2 3.4Å; Y702-A845 HydrophobicContact CE1-CB 3.69Å
703	V	98.8	Very high	95.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.1	169.5	178.7	0	0	0	0	109.4	K408 Y409 V410 F444 C446 A693 L694 V697	K408-V703 PolarHBondContact O-N 2.98Å; Y409-V703 HydrophobicContact CD2-CB 4.36Å; Y409-V703 HydrophobicContact CD2-CG1 4.34Å; Y409-V703 HydrophobicContact CE2-CG1 4.48Å; V410-V703 PolarHBondContact N-O 2.95Å; F444-V703 HydrophobicContact CB-CG2 4.27Å; C446-V703 HydrophobicContact CB-CG1 4.49Å; A693-V703 HydrophobicContact CB-CB 4.44Å; A693-V703 HydrophobicContact CB-CG1 3.93Å; A693-V703 HydrophobicContact CB-CG2 3.59Å; L694-V703 HydrophobicContact CB-CG2 4.35Å; L694-V703 HydrophobicContact CD2-CB 3.89Å; L694-V703 HydrophobicContact CD2-CG2 3.66Å; L694-V703 HydrophobicContact CG-CB 4.14Å; L694-V703 HydrophobicContact CG-CG2 3.76Å; V697-V703 HydrophobicContact CG1-CG2 4.22Å; V697-V703 HydrophobicContact CG2-CG2 3.83Å
704	V	98.8	Very high	95.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.7	179.3	-163.2	0	0	0	0	108.9	V410 V412 T428 L431 V432 L435 F444 A445 C446	V410-V704 HydrophobicContact CG1-CG1 4.47Å; V410-V704 WeakPolarHBondContact O-CA 3.36Å; V412-V704 HydrophobicContact CG2-CG1 3.62Å; T428-V704 HydrophobicContact CG2-CB 4.48Å; T428-V704 HydrophobicContact CG2-CG1 3.89Å; L431-V704 HydrophobicContact CD2-CG1 3.87Å; L431-V704 HydrophobicContact CD2-CG2 4.44Å; L431-V704 HydrophobicContact CG-CG1 4.32Å; L431-V704 HydrophobicContact CG-CG2 4.29Å; V432-V704 HydrophobicContact CB-CG2 4.22Å; V432-V704 HydrophobicContact CG2-CG2 4.29Å; L435-V704 HydrophobicContact CD1-CG2 3.87Å; F444-V704 PolarHBondContact O-N 3.22Å; A445-V704 CarbonylContact C-O 3.59Å; A445-V704 WeakPolarHBondContact CA-O 3.44Å; C446-V704 PolarHBondContact N-O 3.16Å
705	T	98.6	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	161.4	-176.8	-161.8	0	0	0	0	109.6	Y409 V410 L411 V412 C446 S685 D690 F718	Y409-T705 HydrophobicContact CD2-CG2 4.14Å; Y409-T705 HydrophobicContact CE2-CG2 3.41Å; Y409-T705 VanDerWaalsContact CE2-CG2 3.41Å; V410-T705 PolarHBondContact O-N 3.02Å; L411-T705 CarbonylContact C-O 3.48Å; L411-T705 WeakPolarHBondContact CA-O 3.16Å; V412-T705 PolarHBondContact N-O 3.33Å; C446-T705 PolarHBondContact O-OG1 3Å; S685-T705 PolarHBondContact OG-OG1 3.28Å; S685-T705 VanDerWaalsContact OG-OG1 3.08Å; D690-T705 WeakPolarHBondContact OD1-CB 3.27Å; D690-T705 PolarHBondContact OD1-OG1 3.48Å; T705-F718 HydrophobicContact CG2-CE2 3.5Å; T705-F718 VanDerWaalsContact CG2-CE2 3.5Å; T705-F718 HydrophobicContact CG2-CZ 3.47Å; T705-F718 VanDerWaalsContact CG2-CZ 3.47Å
706	E	97.6	Very high	95.8	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.023	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157.1	-177.5	60.7	152.2	-114.4	0	0	114.5	V412 T425 L447 R448	V412-E706 HydrophobicContact CB-CB 4.34Å; V412-E706 WeakPolarHBondContact O-CA 3.22Å; T425-E706 WeakPolarHBondContact CA-OE2 3.42Å; T425-E706 VanDerWaalsContact CB-OE2 3.29Å; T425-E706 WeakPolarHBondContact CB-OE2 3.43Å; T425-E706 WeakPolarHBondContact CG2-OE2 3.45Å; T425-E706 PolarHBondContact OG1-OE2 3.37Å; L447-E706 HydrophobicContact CD2-CG 3.92Å; R448-E706 IonicContact CZ-OE1 2.78Å; R448-E706 IonicContact NE-OE1 2.69Å; R448-E706 PolarHBondContact NE-OE1 2.7Å; R448-E706 IonicContact NH2-OE1 2.97Å; R448-E706 PolarHBondContact NH2-OE1 2.62Å
707	A	94.7	Very high	96	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.3	171.7	0	0	0	0	0	111.8	L411 V412 G714 F718	L411-A707 HydrophobicContact CD1-CB 4Å; V412-A707 PolarHBondContact O-N 3.22Å; A707-G714 VanDerWaalsContact CB-C 3.42Å; A707-G714 WeakPolarHBondContact CB-O 3.48Å; A707-F718 HydrophobicContact CB-CB 4.17Å; A707-F718 HydrophobicContact CB-CD2 4.31Å
708	G	92	Very high	96.1	Very high	4 Å²	4	13.4 Å²	13.4	4%	0.041	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	153.5	-176.5	0	0	0	0	0	114.7	G683 G714	G683-G708 PolarHBondContact O-N 2.96Å; G708-G714 WeakPolarHBondContact O-CA 3.18Å; G708-G714 PolarHBondContact O-N 3.45Å
709	F	93.2	Very high	96.3	Very high	47 Å²	47	13.4 Å²	13.4	21%	0.206	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.2	-141.9	-177.4	-54.1	-49.3	0	0	0	114.7	P417 K424 A678 N679 I713 H907	P417-F709 HydrophobicContact CG-CB 4Å; P417-F709 HydrophobicContact CG-CD1 4.3Å; K424-F709 VanDerWaalsContact CD-O 3.27Å; K424-F709 WeakPolarHBondContact CD-O 3.29Å; K424-F709 WeakPolarHBondContact CE-O 3.47Å; K424-F709 PolarHBondContact NZ-O 2.72Å; A678-F709 HydrophobicContact CB-CD2 3.4Å; A678-F709 VanDerWaalsContact CB-CD2 3.4Å; A678-F709 HydrophobicContact CB-CE2 3.44Å; A678-F709 VanDerWaalsContact CB-CE2 3.44Å; A678-F709 HydrophobicContact CB-CG 4.3Å; A678-F709 HydrophobicContact CB-CZ 4.36Å; N679-F709 WeakPolarHBondContact OD1-CE2 3.5Å; F709-I713 HydrophobicContact CB-CB 4.46Å; F709-I713 HydrophobicContact CD2-CD1 4.5Å; F709-I713 HydrophobicContact CD2-CG2 4.21Å; F709-H907 HydrophobicContact CB-CB 3.85Å; F709-H907 HydrophobicContact CD1-CB 3.47Å; F709-H907 VanDerWaalsContact CD1-CB 3.47Å; F709-H907 AromaticContact CD1-CD2 3.85Å; F709-H907 AromaticContact CD1-CG 3.47Å; F709-H907 VanDerWaalsContact CD1-CG 3.47Å; F709-H907 AromaticContact CD1-ND1 3.93Å; F709-H907 HydrophobicContact CD2-CB 3.75Å; F709-H907 HydrophobicContact CE1-CB 3.88Å; F709-H907 AromaticContact CE1-CD2 3.85Å; F709-H907 AromaticContact CE1-CE1 3.79Å; F709-H907 AromaticContact CE1-CG 3.44Å; F709-H907 VanDerWaalsContact CE1-CG 3.44Å; F709-H907 AromaticContact CE1-ND1 3.4Å; F709-H907 WeakPolarHBondContact CE1-ND1 3.19Å; F709-H907 HydrophobicContact CE2-CB 4.12Å; F709-H907 HydrophobicContact CG-CB 3.41Å; F709-H907 VanDerWaalsContact CG-CB 3.41Å; F709-H907 AromaticContact CG-CG 3.96Å; F709-H907 HydrophobicContact CZ-CB 4.19Å; F709-H907 AromaticContact CZ-CG 3.88Å; F709-H907 AromaticContact CZ-ND1 3.48Å; F709-H907 WeakPolarHBondContact CZ-ND1 3.4Å
710	G	93.8	Very high	96.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	168.7	178.4	0	0	0	0	0	111.6	G414 I415 D712 I713 G714	G414-G710 CarbonylContact O-C 3.54Å; G414-G710 VanDerWaalsContact O-CA 3.26Å; G414-G710 WeakPolarHBondContact O-CA 3.23Å; I415-G710 WeakPolarHBondContact O-CA 3.44Å; G710-D712 PolarHBondContact O-N 3.27Å; G710-D712 VanDerWaalsContact O-N 3.17Å; G710-I713 PolarHBondContact O-N 3.01Å; G710-G714 PolarHBondContact O-N 3.44Å
711	A	96.6	Very high	96.9	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.1	-179.4	0	0	0	0	0	113.2	A413 G414 I713 M715 E716 M733 L735 Q780	A413-A711 HydrophobicContact CB-CB 4.37Å; G414-A711 PolarHBondContact O-N 2.9Å; A711-I713 PolarHBondContact O-N 2.96Å; A711-M715 HydrophobicContact CB-CB 3.93Å; A711-M715 HydrophobicContact CB-CE 4.01Å; A711-M715 HydrophobicContact CB-SD 3.92Å; A711-M715 WeakPolarHBondContact O-CB 3.28Å; A711-M715 PolarHBondContact O-N 3.39Å; A711-E716 PolarHBondContact O-N 3.4Å; A711-E716 VanDerWaalsContact O-N 3.15Å; A711-M733 HydrophobicContact CB-CE 4.08Å; A711-L735 HydrophobicContact CB-CD1 4.4Å; A711-Q780 HydrophobicContact CB-CB 4.39Å
712	D	95.8	Very high	97	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.8	173.8	63.8	-65.9	0	0	0	114.3	G710 E716 Q780 V872 Y873 K905 L910	G710-D712 PolarHBondContact O-N 3.27Å; G710-D712 VanDerWaalsContact O-N 3.17Å; D712-E716 WeakPolarHBondContact O-CB 3.3Å; D712-Q780 PolarHBondContact OD1-NE2 2.84Å; D712-V872 HydrophobicContact CB-CG1 4.07Å; D712-Y873 HydrophobicContact CB-CD1 4.18Å; D712-Y873 HydrophobicContact CB-CE1 4.09Å; D712-Y873 VanDerWaalsContact O-CE1 3.3Å; D712-Y873 WeakPolarHBondContact O-CE1 3.29Å; D712-K905 WeakPolarHBondContact OD2-CE 3.32Å; D712-K905 IonicContact OD2-NZ 2.7Å; D712-K905 PolarHBondContact OD2-NZ 3.37Å; D712-K905 VanDerWaalsContact OD2-NZ 3.13Å; D712-L910 HydrophobicContact CB-CD2 3.52Å
713	I	96.1	Very high	97	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-52.7	178.4	-56.7	178.9	0	0	0	111.2	A678 F709 G710 A711 K717 K905 H907	A678-I713 VanDerWaalsContact O-CG2 3.25Å; A678-I713 WeakPolarHBondContact O-CG2 3.26Å; F709-I713 HydrophobicContact CB-CB 4.46Å; F709-I713 HydrophobicContact CD2-CD1 4.5Å; F709-I713 HydrophobicContact CD2-CG2 4.21Å; G710-I713 PolarHBondContact O-N 3.01Å; A711-I713 PolarHBondContact O-N 2.96Å; I713-K717 HydrophobicContact CG2-CD 4.22Å; I713-K717 WeakPolarHBondContact O-CB 3.44Å; I713-K717 WeakPolarHBondContact O-CD 3.42Å; I713-K717 WeakPolarHBondContact O-CG 3.46Å; I713-K717 PolarHBondContact O-N 2.96Å; I713-K905 HydrophobicContact CD1-CG 3.9Å; I713-K905 HydrophobicContact CG1-CG 4.38Å; I713-H907 HydrophobicContact CD1-CB 4.02Å
714	G	96.3	Very high	96.9	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-69.3	-56.2	-175	0	0	0	0	0	112.5	A707 G708 G710 K717 F718	A707-G714 VanDerWaalsContact CB-C 3.42Å; A707-G714 WeakPolarHBondContact CB-O 3.48Å; G708-G714 WeakPolarHBondContact O-CA 3.18Å; G708-G714 PolarHBondContact O-N 3.45Å; G710-G714 PolarHBondContact O-N 3.44Å; G714-K717 PolarHBondContact O-N 2.85Å; G714-F718 WeakPolarHBondContact O-CB 3.44Å; G714-F718 PolarHBondContact O-N 3.29Å
715	M	97.6	Very high	96.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.2	-41.3	-178.5	174.6	-157.7	78.9	0	0	111.8	L411 A413 A711 K717 F718 F719 M733 N783 A784 F787	L411-M715 HydrophobicContact CD2-CB 3.95Å; L411-M715 HydrophobicContact CD2-CG 3.72Å; A413-M715 HydrophobicContact CB-CB 4.2Å; A711-M715 HydrophobicContact CB-CB 3.93Å; A711-M715 HydrophobicContact CB-CE 4.01Å; A711-M715 HydrophobicContact CB-SD 3.92Å; A711-M715 WeakPolarHBondContact O-CB 3.28Å; A711-M715 PolarHBondContact O-N 3.39Å; M715-K717 PolarHBondContact O-N 2.86Å; M715-F718 PolarHBondContact O-N 3.3Å; M715-F719 HydrophobicContact CE-CE2 4.23Å; M715-F719 HydrophobicContact CG-CD2 3.64Å; M715-F719 HydrophobicContact CG-CE1 4.28Å; M715-F719 HydrophobicContact CG-CE2 3.15Å; M715-F719 HydrophobicContact CG-CG 4.43Å; M715-F719 HydrophobicContact CG-CZ 3.51Å; M715-F719 WeakPolarHBondContact O-CG 3.37Å; M715-F719 PolarHBondContact O-N 2.9Å; M715-F719 HydrophobicContact SD-CD2 4.39Å; M715-F719 HydrophobicContact SD-CE2 3.6Å; M715-F719 HydrophobicContact SD-CZ 4.16Å; M715-M733 HydrophobicContact CG-CG 4.47Å; M715-M733 HydrophobicContact SD-CE 4.04Å; M715-M733 HydrophobicContact SD-CG 3.89Å; M715-M733 HydrophobicContact SD-SD 4.32Å; M715-N783 HydrophobicContact CE-CB 4.12Å; M715-A784 HydrophobicContact CE-CB 4.1Å; M715-A784 HydrophobicContact SD-CB 3.64Å; M715-F787 HydrophobicContact CE-CD2 4.39Å; M715-F787 HydrophobicContact CE-CE2 4.21Å
716	E	98.3	Very high	96.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-52.1	-53.3	174.3	-171.5	-75.8	128.7	0	0	111.5	A711 D712 F719 N720 I868 V872	A711-E716 PolarHBondContact O-N 3.4Å; A711-E716 VanDerWaalsContact O-N 3.15Å; D712-E716 WeakPolarHBondContact O-CB 3.3Å; E716-F719 PolarHBondContact O-N 2.82Å; E716-N720 WeakPolarHBondContact O-CB 3.35Å; E716-N720 PolarHBondContact O-N 3.07Å; E716-N720 PolarHBondContact OE1-ND2 3.42Å; E716-I868 HydrophobicContact CG-CG2 4.26Å; E716-V872 HydrophobicContact CG-CG1 4.36Å; E716-V872 HydrophobicContact CG-CG2 4.11Å
717	K	98.4	Very high	96.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-72.2	-34.1	179.6	-64.9	176.3	-173	-175.6	0	113.1	A678 N679 A681 H682 I713 G714 M715 F719 I721 K722 C902 M903	A678-K717 PolarHBondContact O-NZ 3.21Å; N679-K717 PolarHBondContact O-NZ 2.65Å; A681-K717 WeakPolarHBondContact O-CD 3.33Å; A681-K717 PolarHBondContact O-NZ 3.48Å; H682-K717 HydrophobicContact CB-CB 3.98Å; I713-K717 HydrophobicContact CG2-CD 4.22Å; I713-K717 WeakPolarHBondContact O-CB 3.44Å; I713-K717 WeakPolarHBondContact O-CD 3.42Å; I713-K717 WeakPolarHBondContact O-CG 3.46Å; I713-K717 PolarHBondContact O-N 2.96Å; G714-K717 PolarHBondContact O-N 2.85Å; M715-K717 PolarHBondContact O-N 2.86Å; K717-F719 VanDerWaalsContact C-N 3.32Å; K717-F719 PolarHBondContact O-N 2.92Å; K717-I721 HydrophobicContact CB-CD1 4.1Å; K717-I721 HydrophobicContact CG-CD1 4.2Å; K717-I721 WeakPolarHBondContact O-CA 3.3Å; K717-I721 WeakPolarHBondContact O-CB 3.33Å; K717-I721 PolarHBondContact O-N 2.89Å; K717-K722 PolarHBondContact O-N 3.43Å; K717-C902 PolarHBondContact NZ-SG 3.07Å; K717-C902 VanDerWaalsContact NZ-SG 3.43Å; K717-M903 WeakPolarHBondContact CE-O 3.49Å; K717-M903 PolarHBondContact NZ-O 3.19Å
718	F	98.6	Very high	96.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.073	C	C	.	.	I	π-helix	trans	-60	-45.1	173.9	-178.3	-76.4	0	0	0	110.2	Y409 L411 T705 A707 G714 M715 K722 C723	Y409-F718 AromaticContact CE1-CE1 3.97Å; Y409-F718 HydrophobicContact CE1-CE1 3.97Å; Y409-F718 AromaticContact CE1-CZ 3.68Å; Y409-F718 HydrophobicContact CE1-CZ 3.68Å; Y409-F718 HydrophobicContact CE2-CZ 4.29Å; Y409-F718 AromaticContact CZ-CZ 3.48Å; Y409-F718 VanDerWaalsContact CZ-CZ 3.48Å; Y409-F718 WeakPolarHBondContact OH-CZ 3.39Å; L411-F718 HydrophobicContact CB-CE1 4.22Å; L411-F718 HydrophobicContact CB-CZ 4.27Å; L411-F718 HydrophobicContact CD1-CD1 4.27Å; L411-F718 HydrophobicContact CD1-CD2 3.72Å; L411-F718 HydrophobicContact CD1-CE1 4.27Å; L411-F718 HydrophobicContact CD1-CE2 3.73Å; L411-F718 HydrophobicContact CD1-CG 4Å; L411-F718 HydrophobicContact CD1-CZ 3.99Å; L411-F718 HydrophobicContact CD2-CB 4.28Å; L411-F718 HydrophobicContact CD2-CD1 3.7Å; L411-F718 HydrophobicContact CD2-CE1 4.04Å; L411-F718 HydrophobicContact CD2-CG 3.95Å; L411-F718 HydrophobicContact CG-CD1 4.44Å; L411-F718 HydrophobicContact CG-CE1 4.41Å; L411-F718 HydrophobicContact CG-CZ 4.5Å; T705-F718 HydrophobicContact CG2-CE2 3.5Å; T705-F718 VanDerWaalsContact CG2-CE2 3.5Å; T705-F718 HydrophobicContact CG2-CZ 3.47Å; T705-F718 VanDerWaalsContact CG2-CZ 3.47Å; A707-F718 HydrophobicContact CB-CB 4.17Å; A707-F718 HydrophobicContact CB-CD2 4.31Å; G714-F718 WeakPolarHBondContact O-CB 3.44Å; G714-F718 PolarHBondContact O-N 3.29Å; M715-F718 PolarHBondContact O-N 3.3Å; F718-K722 HydrophobicContact CD2-CD 3.85Å; F718-K722 HydrophobicContact CE2-CD 3.92Å; F718-K722 CarbonylContact O-C 3.59Å; F718-K722 WeakPolarHBondContact O-CA 3.41Å; F718-K722 WeakPolarHBondContact O-CB 3.43Å; F718-K722 PolarHBondContact O-N 2.63Å; F718-K722 VanDerWaalsContact O-N 3.13Å; F718-C723 PolarHBondContact O-N 3.02Å
719	F	98.1	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-74	-49.8	177	-61.9	-25.9	0	0	0	112.9	L411 M715 E716 K717 I721 C723 P730 F787 V789 F851 F853	L411-F719 HydrophobicContact CD2-CD1 4.4Å; L411-F719 HydrophobicContact CD2-CE1 3.55Å; L411-F719 HydrophobicContact CD2-CZ 3.74Å; M715-F719 HydrophobicContact CE-CE2 4.23Å; M715-F719 HydrophobicContact CG-CD2 3.64Å; M715-F719 HydrophobicContact CG-CE1 4.28Å; M715-F719 HydrophobicContact CG-CE2 3.15Å; M715-F719 HydrophobicContact CG-CG 4.43Å; M715-F719 HydrophobicContact CG-CZ 3.51Å; M715-F719 WeakPolarHBondContact O-CG 3.37Å; M715-F719 PolarHBondContact O-N 2.9Å; M715-F719 HydrophobicContact SD-CD2 4.39Å; M715-F719 HydrophobicContact SD-CE2 3.6Å; M715-F719 HydrophobicContact SD-CZ 4.16Å; E716-F719 PolarHBondContact O-N 2.82Å; K717-F719 VanDerWaalsContact C-N 3.32Å; K717-F719 PolarHBondContact O-N 2.92Å; F719-I721 PolarHBondContact O-N 3.23Å; F719-C723 WeakPolarHBondContact O-CB 3.48Å; F719-P730 HydrophobicContact CD1-CG 4.02Å; F719-P730 HydrophobicContact CE1-CB 3.91Å; F719-P730 HydrophobicContact CE1-CG 3.49Å; F719-P730 VanDerWaalsContact CE1-CG 3.49Å; F719-P730 HydrophobicContact CZ-CB 4.5Å; F719-P730 HydrophobicContact CZ-CG 4.08Å; F719-F787 HydrophobicContact CB-CD1 3.53Å; F719-F787 HydrophobicContact CB-CE1 3.49Å; F719-F787 VanDerWaalsContact CB-CE1 3.49Å; F719-F787 HydrophobicContact CB-CG 4.3Å; F719-F787 HydrophobicContact CB-CZ 4.24Å; F719-F787 HydrophobicContact CD2-CB 3.76Å; F719-F787 AromaticContact CD2-CD1 3.5Å; F719-F787 HydrophobicContact CD2-CD1 3.5Å; F719-F787 AromaticContact CD2-CD2 3.6Å; F719-F787 HydrophobicContact CD2-CD2 3.6Å; F719-F787 AromaticContact CD2-CE1 3.88Å; F719-F787 HydrophobicContact CD2-CE1 3.88Å; F719-F787 AromaticContact CD2-CE2 3.98Å; F719-F787 HydrophobicContact CD2-CE2 3.98Å; F719-F787 AromaticContact CD2-CG 3.34Å; F719-F787 HydrophobicContact CD2-CG 3.34Å; F719-F787 HydrophobicContact CD2-CZ 4.11Å; F719-F787 HydrophobicContact CE2-CB 3.98Å; F719-F787 HydrophobicContact CE2-CD2 4.07Å; F719-F787 AromaticContact CE2-CG 3.97Å; F719-F787 HydrophobicContact CE2-CG 3.97Å; F719-F787 AromaticContact CG-CD1 3.9Å; F719-F787 HydrophobicContact CG-CD1 3.9Å; F719-F787 HydrophobicContact CG-CE1 4.19Å; F719-F787 HydrophobicContact CG-CG 4.18Å; F719-V789 HydrophobicContact CE2-CG2 4.21Å; F719-V789 HydrophobicContact CZ-CG2 3.99Å; F719-F851 HydrophobicContact CB-CE2 4.01Å; F719-F851 HydrophobicContact CB-CZ 4.04Å; F719-F851 AromaticContact CD1-CE2 3.77Å; F719-F851 HydrophobicContact CD1-CE2 3.77Å; F719-F851 HydrophobicContact CD1-CZ 4.23Å; F719-F851 HydrophobicContact CD2-CE2 4.34Å; F719-F851 HydrophobicContact CE1-CE2 4.39Å; F719-F851 AromaticContact CG-CE2 3.79Å; F719-F851 HydrophobicContact CG-CE2 3.79Å; F719-F851 HydrophobicContact CG-CZ 4.26Å; F719-F853 WeakPolarHBondContact O-CD1 3.41Å; F719-F853 VanDerWaalsContact O-CE1 3.26Å; F719-F853 WeakPolarHBondContact O-CE1 3.38Å
720	N	98.3	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-80.3	-13	-175.2	-72.8	-41.4	0	0	0	114.8	E716 R724 L854 Y855	E716-N720 WeakPolarHBondContact O-CB 3.35Å; E716-N720 PolarHBondContact O-N 3.07Å; E716-N720 PolarHBondContact OE1-ND2 3.42Å; N720-R724 WeakPolarHBondContact O-CD 3.22Å; N720-R724 WeakPolarHBondContact O-CG 3.29Å; N720-L854 WeakPolarHBondContact ND2-CB 3.32Å; N720-L854 PolarHBondContact OD1-N 3.18Å; N720-L854 VanDerWaalsContact OD1-N 3.11Å; N720-Y855 HydrophobicContact CB-CE1 4.08Å; N720-Y855 WeakPolarHBondContact ND2-CE1 3.25Å
721	I	98.6	Very high	97.4	Very high	5 Å²	5	18 Å²	18	3%	0.026	10%	0.098	C	C	.	.	I	π-helix	trans	-121.7	-59.9	178.8	-47	177.8	0	0	0	111.3	L613 H682 K717 F719 R724 A725 P900 C902 F938	L613-I721 HydrophobicContact CD1-CG2 3.87Å; L613-I721 HydrophobicContact CD2-CG2 4.19Å; H682-I721 HydrophobicContact CB-CB 4.21Å; H682-I721 HydrophobicContact CB-CD1 4.06Å; H682-I721 HydrophobicContact CB-CG2 4.33Å; K717-I721 HydrophobicContact CB-CD1 4.1Å; K717-I721 HydrophobicContact CG-CD1 4.2Å; K717-I721 WeakPolarHBondContact O-CA 3.3Å; K717-I721 WeakPolarHBondContact O-CB 3.33Å; K717-I721 PolarHBondContact O-N 2.89Å; F719-I721 PolarHBondContact O-N 3.23Å; I721-R724 PolarHBondContact O-N 2.8Å; I721-A725 WeakPolarHBondContact O-CB 3.36Å; I721-A725 PolarHBondContact O-N 2.9Å; I721-P900 HydrophobicContact CG1-CB 4.14Å; I721-C902 HydrophobicContact CD1-CB 3.67Å; I721-F938 HydrophobicContact CD1-CB 4.38Å; I721-F938 HydrophobicContact CD1-CG 4.45Å; I721-F938 HydrophobicContact CG2-CD1 4.12Å
722	K	98.5	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-69.6	-42.3	-172.8	-176.3	173.8	167.2	-178	0	112.9	L613 S685 V687 D690 K717 F718 R724 A725 S726	L613-K722 HydrophobicContact CD2-CB 4.28Å; S685-K722 VanDerWaalsContact O-CE 3.3Å; S685-K722 WeakPolarHBondContact O-CE 3.44Å; S685-K722 PolarHBondContact O-NZ 3.21Å; S685-K722 PolarHBondContact OG-NZ 3.11Å; S685-K722 VanDerWaalsContact OG-NZ 3.14Å; V687-K722 HydrophobicContact CG2-CG 3.88Å; D690-K722 IonicContact OD1-NZ 2.65Å; D690-K722 WeakPolarHBondContact OD2-CE 3.29Å; D690-K722 IonicContact OD2-NZ 2.69Å; D690-K722 PolarHBondContact OD2-NZ 3.12Å; K717-K722 PolarHBondContact O-N 3.43Å; F718-K722 HydrophobicContact CD2-CD 3.85Å; F718-K722 HydrophobicContact CE2-CD 3.92Å; F718-K722 CarbonylContact O-C 3.59Å; F718-K722 WeakPolarHBondContact O-CA 3.41Å; F718-K722 WeakPolarHBondContact O-CB 3.43Å; F718-K722 PolarHBondContact O-N 2.63Å; F718-K722 VanDerWaalsContact O-N 3.13Å; K722-R724 VanDerWaalsContact C-N 3.34Å; K722-A725 PolarHBondContact O-N 2.82Å; K722-S726 VanDerWaalsContact O-CB 3.3Å; K722-S726 WeakPolarHBondContact O-CB 3.3Å; K722-S726 PolarHBondContact O-N 3.29Å; K722-S726 PolarHBondContact O-OG 3.15Å
723	C	98.4	Very high	97.6	Very high	1 Å²	1	18 Å²	18	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-66	-34.2	172.7	-70.5	0	0	0	0	112.2	F718 F719 G727 L728 F851 F853	F718-C723 PolarHBondContact O-N 3.02Å; F719-C723 WeakPolarHBondContact O-CB 3.48Å; C723-G727 WeakPolarHBondContact O-CA 3.33Å; C723-G727 PolarHBondContact O-N 2.99Å; C723-L728 VanDerWaalsContact CB-O 3.23Å; C723-L728 WeakPolarHBondContact CB-O 3.43Å; C723-L728 PolarHBondContact SG-O 2.9Å; C723-F851 HydrophobicContact CB-CE1 4.2Å; C723-F851 HydrophobicContact CB-CZ 4Å; C723-F853 HydrophobicContact CB-CE1 4.14Å
724	R	97.1	Very high	97.7	Very high	72 Å²	72	18 Å²	18	27%	0.272	10%	0.098	S	C	.	.	H	α-helix	trans	-64.8	-45.9	171.9	-73.1	-163.2	175.8	-87.3	4.8	112.7	N720 I721 K722 F853 Y855	N720-R724 WeakPolarHBondContact O-CD 3.22Å; N720-R724 WeakPolarHBondContact O-CG 3.29Å; I721-R724 PolarHBondContact O-N 2.8Å; K722-R724 VanDerWaalsContact C-N 3.34Å; R724-F853 HydrophobicContact CB-CE1 4.43Å; R724-F853 HydrophobicContact CG-CD1 3.81Å; R724-F853 HydrophobicContact CG-CE1 3.41Å; R724-F853 VanDerWaalsContact CG-CE1 3.41Å; R724-F853 HydrophobicContact CG-CE2 4.29Å; R724-F853 HydrophobicContact CG-CG 4.41Å; R724-F853 HydrophobicContact CG-CZ 3.68Å; R724-Y855 PolarHBondContact NH2-O 3.14Å
725	A	97.5	Very high	97.8	Very high	27 Å²	27	18 Å²	18	22%	0.223	10%	0.097	C	C	.	.	H	α-helix	trans	-70.6	-30.8	-178.6	0	0	0	0	0	113.3	L613 I721 K722	L613-A725 HydrophobicContact CB-CB 4.34Å; L613-A725 HydrophobicContact CD2-CB 3.99Å; I721-A725 WeakPolarHBondContact O-CB 3.36Å; I721-A725 PolarHBondContact O-N 2.9Å; K722-A725 PolarHBondContact O-N 2.82Å
726	S	97.3	Very high	97.9	Very high	9 Å²	9	18 Å²	18	6%	0.063	10%	0.097	C	C	.	.	H	α-helix	trans	-94.4	-28.5	-176.4	59.8	0	0	0	0	114.8	V687 K691 K722 L728	V687-S726 VanDerWaalsContact CG1-CB 3.43Å; K691-S726 WeakPolarHBondContact CE-O 3.34Å; K691-S726 PolarHBondContact NZ-O 3.47Å; K722-S726 VanDerWaalsContact O-CB 3.3Å; K722-S726 WeakPolarHBondContact O-CB 3.3Å; K722-S726 PolarHBondContact O-N 3.29Å; K722-S726 PolarHBondContact O-OG 3.15Å; S726-L728 WeakPolarHBondContact OG-CB 3.28Å; S726-L728 PolarHBondContact OG-N 3.47Å; S726-L728 VanDerWaalsContact OG-N 3.16Å
727	G	97.1	Very high	97.9	Very high	59 Å²	59	18 Å²	18	61%	0.608	10%	0.097	S	C	*	.			trans	81.8	-8	-165.6	0	0	0	0	0	114.4	C723	C723-G727 WeakPolarHBondContact O-CA 3.33Å; C723-G727 PolarHBondContact O-N 2.99Å
728	L	97.4	Very high	97.9	Very high	16 Å²	16	18 Å²	18	8%	0.084	10%	0.097	C	C	.	.			trans	-71.5	146	-176.1	-62.1	176.4	0	0	0	111.9	Y409 D690 K691 L694 C723 S726	Y409-L728 HydrophobicContact CD1-CB 4.04Å; Y409-L728 HydrophobicContact CE1-CB 3.7Å; Y409-L728 HydrophobicContact CE1-CD1 4.04Å; D690-L728 HydrophobicContact CB-CD1 3.97Å; K691-L728 HydrophobicContact CG-CD1 4.1Å; K691-L728 HydrophobicContact CG-CD2 4.44Å; K691-L728 HydrophobicContact CG-CG 4.5Å; L694-L728 HydrophobicContact CD1-CD1 3.7Å; L694-L728 HydrophobicContact CD1-CD2 3.6Å; L694-L728 HydrophobicContact CD1-CG 4.22Å; C723-L728 VanDerWaalsContact CB-O 3.23Å; C723-L728 WeakPolarHBondContact CB-O 3.43Å; C723-L728 PolarHBondContact SG-O 2.9Å; S726-L728 WeakPolarHBondContact OG-CB 3.28Å; S726-L728 PolarHBondContact OG-N 3.47Å; S726-L728 VanDerWaalsContact OG-N 3.16Å
729	R	96.8	Very high	97.9	Very high	157 Å²	157	18 Å²	18	59%	0.592	10%	0.097	S	C	*	.			trans	-121.5	131.7	177.8	-59.1	-172.4	-179.7	-150.8	2.7	110.5	F851	R729-F851 HydrophobicContact CB-CB 4.39Å; R729-F851 HydrophobicContact CB-CD1 4.06Å; R729-F851 HydrophobicContact CB-CG 4.36Å; R729-F851 HydrophobicContact CG-CD1 3.77Å; R729-F851 HydrophobicContact CG-CE1 4.42Å
730	P	96.3	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.			trans	-69.9	143.2	176.6	33.1	-39.7	0	0	0	111.4	F719 V789 F851	F719-P730 HydrophobicContact CD1-CG 4.02Å; F719-P730 HydrophobicContact CE1-CB 3.91Å; F719-P730 HydrophobicContact CE1-CG 3.49Å; F719-P730 VanDerWaalsContact CE1-CG 3.49Å; F719-P730 HydrophobicContact CZ-CB 4.5Å; F719-P730 HydrophobicContact CZ-CG 4.08Å; P730-V789 HydrophobicContact CB-CG1 4.22Å; P730-V789 HydrophobicContact CB-CG2 4.48Å; P730-V789 HydrophobicContact CG-CG1 4.21Å; P730-V789 HydrophobicContact CG-CG2 3.61Å; P730-F851 HydrophobicContact CG-CD2 3.58Å; P730-F851 HydrophobicContact CG-CE2 3.78Å; P730-F851 HydrophobicContact CG-CG 4.23Å
731	N	97.4	Very high	97.7	Very high	32 Å²	32	19.4 Å²	19.4	17%	0.171	10%	0.103	C	C	.	.	S	Bend	trans	-95.1	-33.5	169.6	-61.4	109.3	0	0	0	112.4	K408 Y409 P790 A845 T849	K408-N731 VanDerWaalsContact CA-OD1 3.31Å; K408-N731 WeakPolarHBondContact CA-OD1 3.47Å; Y409-N731 PolarHBondContact N-OD1 2.81Å; Y409-N731 PolarHBondContact O-N 2.83Å; N731-P790 WeakPolarHBondContact O-CD 3.48Å; N731-P790 WeakPolarHBondContact O-CG 3.31Å; N731-A845 HydrophobicContact CB-CB 4.39Å; N731-T849 WeakPolarHBondContact O-CG2 3.34Å
732	V	97.7	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.1	-179.7	-175.7	0	0	0	0	109.9	V410 L411 V734 V792 V841 A844 A845	V410-V732 HydrophobicContact CG1-CB 4.33Å; V410-V732 HydrophobicContact CG2-CB 4.38Å; L411-V732 PolarHBondContact N-O 3.37Å; V732-V734 HydrophobicContact CG1-CG2 4.47Å; V732-V792 HydrophobicContact CG1-CG2 4Å; V732-V841 HydrophobicContact CG1-CG2 4.42Å; V732-A844 HydrophobicContact CG1-CB 4.03Å; V732-A844 HydrophobicContact CG2-CB 3.67Å; V732-A845 HydrophobicContact CG2-CB 3.66Å; V732-A845 VanDerWaalsContact CG2-N 3.27Å
733	M	97.5	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.2	167.5	-174.6	-85.7	166	0	0	109.2	L411 A413 A711 M715 L735 A784 V789 P790 V791 V792	L411-M733 CarbonylContact O-C 3.45Å; L411-M733 WeakPolarHBondContact O-CA 3.34Å; A413-M733 HydrophobicContact CB-CE 3.72Å; A711-M733 HydrophobicContact CB-CE 4.08Å; M715-M733 HydrophobicContact CG-CG 4.47Å; M715-M733 HydrophobicContact SD-CE 4.04Å; M715-M733 HydrophobicContact SD-CG 3.89Å; M715-M733 HydrophobicContact SD-SD 4.32Å; M733-L735 HydrophobicContact CE-CB 3.85Å; M733-L735 HydrophobicContact CE-CD1 3.9Å; M733-L735 HydrophobicContact CE-CG 4.46Å; M733-L735 HydrophobicContact SD-CB 3.85Å; M733-A784 HydrophobicContact CG-CB 4.49Å; M733-A784 HydrophobicContact SD-CB 4.31Å; M733-V789 HydrophobicContact CB-CG1 3.9Å; M733-P790 PolarHBondContact N-O 2.9Å; M733-V791 CarbonylContact O-C 3.55Å; M733-V791 VanDerWaalsContact O-CA 3.3Å; M733-V791 WeakPolarHBondContact O-CA 3.48Å; M733-V791 HydrophobicContact SD-CG1 3.99Å; M733-V791 HydrophobicContact SD-CG2 4.31Å; M733-V792 PolarHBondContact O-N 3.15Å
734	V	98.8	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.1	174.2	177.3	0	0	0	0	108.6	V410 L411 V412 A413 V427 L431 V732 V792 A794 L837 V841	V410-V734 HydrophobicContact CG1-CG2 3.84Å; L411-V734 PolarHBondContact O-N 3.29Å; V412-V734 HydrophobicContact CG1-CG1 4.49Å; V412-V734 HydrophobicContact CG2-CB 4.2Å; A413-V734 PolarHBondContact N-O 3.43Å; V427-V734 HydrophobicContact CG1-CG1 4.33Å; L431-V734 HydrophobicContact CD2-CG2 4.03Å; V732-V734 HydrophobicContact CG1-CG2 4.47Å; V734-V792 CarbonylContact C-O 3.52Å; V734-V792 VanDerWaalsContact CA-O 3.29Å; V734-V792 WeakPolarHBondContact CA-O 3.31Å; V734-A794 HydrophobicContact CG1-CB 3.74Å; V734-L837 HydrophobicContact CG1-CD1 4.33Å; V734-L837 HydrophobicContact CG1-CD2 4.45Å; V734-V841 HydrophobicContact CG2-CG2 3.6Å
735	L	98.8	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.2	-179.4	-179.9	61.6	0	0	0	110.3	A413 G414 I415 A711 M733 L777 Q780 I781 V791 V792 V793 A794	A413-L735 WeakPolarHBondContact O-CA 3.27Å; G414-L735 WeakPolarHBondContact O-CD1 3.34Å; I415-L735 HydrophobicContact CG2-CD1 4.22Å; I415-L735 HydrophobicContact CG2-CG 4.41Å; A711-L735 HydrophobicContact CB-CD1 4.4Å; M733-L735 HydrophobicContact CE-CB 3.85Å; M733-L735 HydrophobicContact CE-CD1 3.9Å; M733-L735 HydrophobicContact CE-CG 4.46Å; M733-L735 HydrophobicContact SD-CB 3.85Å; L735-L777 HydrophobicContact CD2-CD1 3.74Å; L735-L777 HydrophobicContact CG-CD1 4.23Å; L735-Q780 HydrophobicContact CD1-CB 4.04Å; L735-Q780 HydrophobicContact CD2-CB 4Å; L735-I781 HydrophobicContact CD2-CD1 4.47Å; L735-I781 HydrophobicContact CD2-CG1 3.54Å; L735-V791 HydrophobicContact CB-CG1 3.87Å; L735-V791 HydrophobicContact CD2-CG1 4.39Å; L735-V792 PolarHBondContact N-O 3.22Å; L735-V793 HydrophobicContact CB-CG2 4.25Å; L735-V793 HydrophobicContact CD2-CG2 4.28Å; L735-V793 WeakPolarHBondContact O-CA 3.4Å; L735-A794 PolarHBondContact O-N 3.2Å
736	V	98.7	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.8	-178.4	-176.6	0	0	0	0	111.5	V412 A413 G414 I415 E422 K424 V427 A794 N796	V412-V736 HydrophobicContact CG1-CG2 3.6Å; A413-V736 PolarHBondContact O-N 2.91Å; G414-V736 CarbonylContact C-O 3.58Å; G414-V736 WeakPolarHBondContact CA-O 3.32Å; I415-V736 PolarHBondContact N-O 2.73Å; E422-V736 HydrophobicContact CB-CG1 4.15Å; E422-V736 VanDerWaalsContact O-CG1 3.31Å; E422-V736 WeakPolarHBondContact O-CG1 3.19Å; K424-V736 HydrophobicContact CG-CB 4.16Å; K424-V736 HydrophobicContact CG-CG2 4.38Å; V427-V736 HydrophobicContact CB-CG2 3.85Å; V427-V736 HydrophobicContact CG1-CG2 3.89Å; V427-V736 HydrophobicContact CG2-CG1 3.77Å; V427-V736 HydrophobicContact CG2-CG2 3.91Å; V736-A794 WeakPolarHBondContact CA-O 3.39Å; V736-A794 HydrophobicContact CG2-CB 4.38Å; V736-N796 HydrophobicContact CG1-CB 4.41Å
737	A	98.3	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	164.6	175.1	0	0	0	0	0	111.5	I415 L742 L777 A794 N796	I415-A737 HydrophobicContact CD1-CB 3.97Å; I415-A737 HydrophobicContact CG1-CB 4.44Å; I415-A737 HydrophobicContact CG2-CB 4.05Å; A737-L742 HydrophobicContact CB-CD1 4.11Å; A737-L742 HydrophobicContact CB-CG 4.38Å; A737-L777 HydrophobicContact CB-CD1 4.15Å; A737-A794 PolarHBondContact N-O 2.94Å; A737-N796 PolarHBondContact O-N 3.24Å
738	T	98.3	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.			trans	-137.5	150.1	171.5	71.7	0	0	0	0	109	E422 R740 A741 L742 N796 F798	E422-T738 HydrophobicContact CB-CG2 4.4Å; T738-R740 VanDerWaalsContact C-N 3.31Å; T738-R740 PolarHBondContact O-N 2.65Å; T738-A741 PolarHBondContact O-N 3.33Å; T738-A741 WeakPolarHBondContact OG1-CB 2.89Å; T738-A741 PolarHBondContact OG1-N 2.92Å; T738-L742 WeakPolarHBondContact O-CG 3.36Å; T738-L742 PolarHBondContact O-N 2.72Å; T738-N796 HydrophobicContact CG2-CB 4.16Å; T738-F798 HydrophobicContact CG2-CD2 4.31Å; T738-F798 HydrophobicContact CG2-CE2 3.68Å
739	V	98.1	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.9	-47.4	179.6	173.2	0	0	0	0	110.8	A741 L742 K743 V769 L795 D801 E805	V739-A741 PolarHBondContact O-N 3.43Å; V739-L742 PolarHBondContact O-N 2.69Å; V739-K743 HydrophobicContact CG1-CD 4.29Å; V739-K743 HydrophobicContact CG1-CG 4.47Å; V739-K743 WeakPolarHBondContact O-CG 3.47Å; V739-K743 PolarHBondContact O-N 3.02Å; V739-V769 HydrophobicContact CG1-CG2 3.75Å; V739-L795 HydrophobicContact CG2-CD1 4.16Å; V739-L795 HydrophobicContact CG2-CD2 4.43Å; V739-D801 HydrophobicContact CB-CB 4.19Å; V739-D801 HydrophobicContact CG2-CB 3.85Å; V739-E805 HydrophobicContact CG1-CB 3.93Å; V739-E805 HydrophobicContact CG1-CG 4.26Å; V739-E805 WeakPolarHBondContact CG1-OE2 3.16Å; V739-E805 HydrophobicContact CG2-CB 4.16Å
740	R	96.2	Very high	96.7	Very high	30 Å²	30	15.6 Å²	15.6	11%	0.113	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-37.7	-178.3	-61.6	-179	-65.1	140.8	8	113.4	F420 T738 K743 M744 Y761	F420-R740 HydrophobicContact CD1-CB 4.22Å; F420-R740 HydrophobicContact CD2-CB 4.24Å; F420-R740 HydrophobicContact CE1-CB 4.38Å; F420-R740 HydrophobicContact CE2-CB 4.42Å; F420-R740 HydrophobicContact CG-CB 4.14Å; F420-R740 HydrophobicContact CZ-CB 4.48Å; T738-R740 VanDerWaalsContact C-N 3.31Å; T738-R740 PolarHBondContact O-N 2.65Å; R740-K743 PolarHBondContact O-N 3.36Å; R740-M744 PolarHBondContact O-N 3.18Å; R740-Y761 HydrophobicContact CB-CD1 4.31Å; R740-Y761 WeakPolarHBondContact CD-O 3.32Å; R740-Y761 WeakPolarHBondContact CG-O 3.45Å; R740-Y761 WeakPolarHBondContact O-CE1 3.4Å
741	A	96.6	Very high	96.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69	-38.6	174.5	0	0	0	0	0	112.1	I415 T418 T738 V739 M744 H745	I415-A741 HydrophobicContact CD1-CB 3.78Å; T418-A741 HydrophobicContact CG2-CB 3.8Å; T418-A741 VanDerWaalsContact OG1-CB 3.32Å; T418-A741 WeakPolarHBondContact OG1-CB 3.39Å; T738-A741 PolarHBondContact O-N 3.33Å; T738-A741 WeakPolarHBondContact OG1-CB 2.89Å; T738-A741 PolarHBondContact OG1-N 2.92Å; V739-A741 PolarHBondContact O-N 3.43Å; A741-M744 PolarHBondContact O-N 2.88Å; A741-H745 PolarHBondContact O-CD2 2.64Å; A741-H745 PolarHBondContact O-N 3.38Å; A741-H745 VanDerWaalsContact O-N 3.12Å
742	L	98.2	Very high	95.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-43	173.6	-67.7	169.2	0	0	0	111.1	I415 A737 T738 V739 M744 H745 G746 G772 L777 V809	I415-L742 HydrophobicContact CD1-CD2 3.96Å; I415-L742 HydrophobicContact CD1-CG 4.19Å; A737-L742 HydrophobicContact CB-CD1 4.11Å; A737-L742 HydrophobicContact CB-CG 4.38Å; T738-L742 WeakPolarHBondContact O-CG 3.36Å; T738-L742 PolarHBondContact O-N 2.72Å; V739-L742 PolarHBondContact O-N 2.69Å; L742-M744 VanDerWaalsContact C-N 3.27Å; L742-M744 PolarHBondContact O-N 3.38Å; L742-H745 CarbonylContact O-C 3.54Å; L742-H745 WeakPolarHBondContact O-CA 3.39Å; L742-H745 PolarHBondContact O-N 3.14Å; L742-G746 PolarHBondContact O-N 2.94Å; L742-G772 WeakPolarHBondContact O-CA 3.34Å; L742-L777 HydrophobicContact CD2-CB 3.91Å; L742-L777 HydrophobicContact CD2-CD2 4.49Å; L742-V809 HydrophobicContact CD1-CB 4.35Å; L742-V809 HydrophobicContact CD1-CG1 3.71Å; L742-V809 HydrophobicContact CD1-CG2 3.59Å
743	K	97.9	Very high	93.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-40	173.5	-71.5	178.7	176	176.5	0	112.8	V739 R740 G746 G747 G748 E760 Y761 D763 L768 V769 E805	V739-K743 HydrophobicContact CG1-CD 4.29Å; V739-K743 HydrophobicContact CG1-CG 4.47Å; V739-K743 WeakPolarHBondContact O-CG 3.47Å; V739-K743 PolarHBondContact O-N 3.02Å; R740-K743 PolarHBondContact O-N 3.36Å; K743-G746 PolarHBondContact O-N 3.38Å; K743-G747 PolarHBondContact O-N 2.67Å; K743-G748 PolarHBondContact O-N 2.9Å; K743-E760 WeakPolarHBondContact CD-O 3.32Å; K743-E760 PolarHBondContact NZ-O 3.19Å; K743-E760 VanDerWaalsContact NZ-O 3.12Å; K743-Y761 HydrophobicContact CB-CD1 4.03Å; K743-Y761 HydrophobicContact CB-CE1 3.93Å; K743-Y761 HydrophobicContact CD-CD1 4.49Å; K743-D763 PolarHBondContact NZ-O 3.02Å; K743-L768 HydrophobicContact CB-CB 3.97Å; K743-L768 HydrophobicContact CB-CD1 4.49Å; K743-L768 HydrophobicContact CG-CB 3.93Å; K743-V769 HydrophobicContact CD-CG2 4.34Å; K743-V769 HydrophobicContact CG-CG2 3.65Å; K743-E805 WeakPolarHBondContact CE-OE1 3.3Å; K743-E805 IonicContact NZ-OE1 3.6Å; K743-E805 PolarHBondContact NZ-OE1 3.45Å; K743-E805 IonicContact NZ-OE2 2.73Å
744	M	96.5	Very high	92.7	Very high	5 Å²	5	29 Å²	29	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-39.5	175.6	-165.5	-176.3	-157.3	0	0	111.6	T418 P419 F420 R740 A741 L742 G746 G747 Y761 K917	T418-M744 HydrophobicContact CG2-CB 4.45Å; T418-M744 HydrophobicContact CG2-SD 4.04Å; P419-M744 HydrophobicContact CG-CE 4.39Å; F420-M744 HydrophobicContact CE2-CB 4.3Å; F420-M744 HydrophobicContact CE2-SD 4.46Å; R740-M744 PolarHBondContact O-N 3.18Å; A741-M744 PolarHBondContact O-N 2.88Å; L742-M744 VanDerWaalsContact C-N 3.27Å; L742-M744 PolarHBondContact O-N 3.38Å; M744-G746 VanDerWaalsContact C-N 3.31Å; M744-G746 PolarHBondContact O-N 3.21Å; M744-G747 PolarHBondContact O-N 3.19Å; M744-Y761 HydrophobicContact CB-CE1 3.99Å; M744-Y761 WeakPolarHBondContact CG-OH 3.45Å; M744-K917 HydrophobicContact CG-CG 4.35Å
745	H	97.7	Very high	91.9	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-70.8	-23.9	174.7	-72.6	-43.1	0	0	0	114	T416 T418 A741 L742 G747 S775 N776 G918	T416-H745 WeakPolarHBondContact CA-NE2 3.42Å; T416-H745 WeakPolarHBondContact CB-NE2 3.27Å; T416-H745 PolarHBondContact O-CE1 2.99Å; T416-H745 PolarHBondContact O-NE2 3.46Å; T418-H745 WeakPolarHBondContact CG2-NE2 2.99Å; A741-H745 PolarHBondContact O-CD2 2.64Å; A741-H745 PolarHBondContact O-N 3.38Å; A741-H745 VanDerWaalsContact O-N 3.12Å; L742-H745 CarbonylContact O-C 3.54Å; L742-H745 WeakPolarHBondContact O-CA 3.39Å; L742-H745 PolarHBondContact O-N 3.14Å; H745-G747 VanDerWaalsContact C-N 3.27Å; H745-G747 PolarHBondContact O-N 3.34Å; H745-S775 PolarHBondContact O-OG 3.33Å; H745-N776 HydrophobicContact CB-CB 3.86Å; H745-G918 PolarHBondContact ND1-N 2.69Å; H745-G918 VanDerWaalsContact ND1-N 3.19Å; H745-G918 WeakPolarHBondContact O-CA 3.49Å
746	G	97.1	Very high	91.3	Very high	25 Å²	25	37.3 Å²	37.3	26%	0.258	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2	171.1	0	0	0	0	0	115.5	L742 K743 M744 L768 G772	L742-G746 PolarHBondContact O-N 2.94Å; K743-G746 PolarHBondContact O-N 3.38Å; M744-G746 VanDerWaalsContact C-N 3.31Å; M744-G746 PolarHBondContact O-N 3.21Å; G746-L768 WeakPolarHBondContact CA-O 3.33Å; G746-L768 WeakPolarHBondContact O-CD2 3.45Å; G746-G772 VanDerWaalsContact CA-N 3.34Å
747	G	95.8	Very high	90.7	Very high	59 Å²	59	40.7 Å²	40.7	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.9	15	179.3	0	0	0	0	0	115.3	K743 M744 H745	K743-G747 PolarHBondContact O-N 2.67Å; M744-G747 PolarHBondContact O-N 3.19Å; H745-G747 VanDerWaalsContact C-N 3.27Å; H745-G747 PolarHBondContact O-N 3.34Å
748	G	94.3	Very high	90.4	Very high	10 Å²	10	42.3 Å²	42.3	10%	0.103	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-59.3	155.2	172.8	0	0	0	0	0	113.1	K743 Y761	K743-G748 PolarHBondContact O-N 2.9Å; G748-Y761 PolarHBondContact O-OH 3.23Å
749	P	92.6	Very high	90.2	Very high	50 Å²	50	49.4 Å²	49.4	33%	0.325	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.8	152.6	-173.5	24.3	-33.2	0	0	0	113.2	P758 E760 Y761	P749-P758 HydrophobicContact CB-CB 4.5Å; P749-P758 HydrophobicContact CB-CG 4.4Å; P749-P758 HydrophobicContact CG-CB 3.57Å; P749-P758 HydrophobicContact CG-CG 3.89Å; P749-E760 HydrophobicContact CG-CG 4.36Å; P749-Y761 HydrophobicContact CG-CE2 3.94Å; P749-Y761 VanDerWaalsContact O-CE2 3.26Å; P749-Y761 WeakPolarHBondContact O-CE2 3.44Å; P749-Y761 PolarHBondContact O-OH 2.92Å
750	N	88.2	Confident	90	Very high	108 Å²	108	53 Å²	53	58%	0.578	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-63.4	145.7	178.2	-82	-27.5	0	0	0	112.1
751	V	85.6	Confident	89.9	Confident	29 Å²	29	51.6 Å²	51.6	18%	0.176	35%	0.35	C	S	.	.			trans	-117.5	126.2	-179	178.9	0	0	0	0	110.1	F420 L757 P758 Y761	F420-V751 HydrophobicContact CE1-CG2 4.4Å; F420-V751 HydrophobicContact CE2-CG2 4.33Å; F420-V751 HydrophobicContact CZ-CG2 3.72Å; V751-L757 HydrophobicContact CG1-CD2 3.77Å; V751-P758 HydrophobicContact CG2-CG 4.5Å; V751-Y761 HydrophobicContact CG2-CD2 4.17Å; V751-Y761 HydrophobicContact CG2-CE2 3.67Å
752	S	78	Confident	89.6	Confident	84 Å²	84	55.4 Å²	55.4	59%	0.587	37%	0.37	S	S	*	.			trans	-104.9	139.7	175.4	-63.8	0	0	0	0	110.4	G754 A755	S752-G754 PolarHBondContact O-N 2.78Å; S752-A755 WeakPolarHBondContact O-CB 3.49Å; S752-A755 PolarHBondContact O-N 2.74Å
753	A	69.9	Low	89.5	Confident	111 Å²	111	59.4 Å²	59.4	92%	0.917	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.8	176.4	0	0	0	0	0	111.2	A755	A753-A755 VanDerWaalsContact C-N 3.29Å; A753-A755 PolarHBondContact O-N 2.99Å
754	G	70.4	Confident	89.5	Confident	89 Å²	89	64.1 Å²	64.1	92%	0.918	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-8.2	-177.9	0	0	0	0	0	115.7	S752	S752-G754 PolarHBondContact O-N 2.78Å
755	A	81.9	Confident	89.5	Confident	52 Å²	52	66 Å²	66	43%	0.43	42%	0.424	S	S	.	.	S	Bend	trans	-83	150.4	170.8	0	0	0	0	0	111.2	S752 A753	S752-A755 WeakPolarHBondContact O-CB 3.49Å; S752-A755 PolarHBondContact O-N 2.74Å; A753-A755 VanDerWaalsContact C-N 3.29Å; A753-A755 PolarHBondContact O-N 2.99Å
756	P	86.1	Confident	89.6	Confident	122 Å²	122	68.9 Å²	68.9	79%	0.792	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-56.2	142.3	167	-23.2	34.2	0	0	0	111.2
757	L	88	Confident	89.6	Confident	71 Å²	71	72.2 Å²	72.2	37%	0.372	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-68.2	133.5	177.8	-68.5	-176.4	0	0	0	110.9	F420 V751 I762	F420-L757 HydrophobicContact CE1-CD1 4.28Å; F420-L757 HydrophobicContact CE1-CD2 3.87Å; V751-L757 HydrophobicContact CG1-CD2 3.77Å; L757-I762 HydrophobicContact CB-CD1 4.18Å; L757-I762 HydrophobicContact CB-CG1 4.48Å
758	P	91.8	Very high	89.8	Confident	34 Å²	34	70.6 Å²	70.6	22%	0.221	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-57.4	146	171.1	-24.5	33.4	0	0	0	112.1	P749 V751 E760 Y761	P749-P758 HydrophobicContact CB-CB 4.5Å; P749-P758 HydrophobicContact CB-CG 4.4Å; P749-P758 HydrophobicContact CG-CB 3.57Å; P749-P758 HydrophobicContact CG-CG 3.89Å; V751-P758 HydrophobicContact CG2-CG 4.5Å; P758-E760 WeakPolarHBondContact CB-OE2 3.38Å; P758-E760 PolarHBondContact O-N 3.13Å; P758-Y761 HydrophobicContact CB-CD2 3.94Å; P758-Y761 HydrophobicContact CB-CE2 4.22Å; P758-Y761 HydrophobicContact CG-CD2 4.13Å; P758-Y761 HydrophobicContact CG-CE2 4.15Å; P758-Y761 PolarHBondContact O-N 2.81Å
759	K	93.4	Very high	90	Very high	149 Å²	149	70.1 Å²	70.1	65%	0.648	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-58.1	-33.4	-173.7	-82	-167.8	167.6	-156.8	0	113.4	Y761 I762 D763	K759-Y761 PolarHBondContact O-N 2.93Å; K759-I762 PolarHBondContact O-N 2.99Å; K759-D763 WeakPolarHBondContact O-CB 3.26Å; K759-D763 PolarHBondContact O-N 2.82Å
760	E	93.9	Very high	90.2	Very high	76 Å²	76	68.8 Å²	68.8	36%	0.355	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-53.9	-27.6	178.2	-60.9	79.5	-179.1	0	0	112.4	K743 P749 P758 L768	K743-E760 WeakPolarHBondContact CD-O 3.32Å; K743-E760 PolarHBondContact NZ-O 3.19Å; K743-E760 VanDerWaalsContact NZ-O 3.12Å; P749-E760 HydrophobicContact CG-CG 4.36Å; P758-E760 WeakPolarHBondContact CB-OE2 3.38Å; P758-E760 PolarHBondContact O-N 3.13Å; E760-L768 HydrophobicContact CB-CD1 3.99Å; E760-L768 HydrophobicContact CG-CD1 4.31Å
761	Y	93.3	Very high	90.7	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-94.1	1.3	178.9	-58.6	-70.2	0	0	0	114.8	F420 R740 K743 M744 G748 P749 V751 P758 K759	F420-Y761 HydrophobicContact CE1-CD1 4.27Å; F420-Y761 HydrophobicContact CE1-CG 4.09Å; F420-Y761 AromaticContact CE2-CD1 3.71Å; F420-Y761 HydrophobicContact CE2-CD1 3.71Å; F420-Y761 AromaticContact CE2-CE1 3.55Å; F420-Y761 HydrophobicContact CE2-CE1 3.55Å; F420-Y761 HydrophobicContact CE2-CE2 4.47Å; F420-Y761 HydrophobicContact CE2-CG 4.24Å; F420-Y761 AromaticContact CE2-CZ 3.94Å; F420-Y761 AromaticContact CZ-CD1 3.36Å; F420-Y761 HydrophobicContact CZ-CD1 3.36Å; F420-Y761 AromaticContact CZ-CD2 3.72Å; F420-Y761 HydrophobicContact CZ-CD2 3.72Å; F420-Y761 AromaticContact CZ-CE1 3.57Å; F420-Y761 HydrophobicContact CZ-CE1 3.57Å; F420-Y761 AromaticContact CZ-CE2 3.9Å; F420-Y761 HydrophobicContact CZ-CE2 3.9Å; F420-Y761 AromaticContact CZ-CG 3.42Å; F420-Y761 HydrophobicContact CZ-CG 3.42Å; F420-Y761 VanDerWaalsContact CZ-CG 3.42Å; F420-Y761 AromaticContact CZ-CZ 3.82Å; R740-Y761 HydrophobicContact CB-CD1 4.31Å; R740-Y761 WeakPolarHBondContact CD-O 3.32Å; R740-Y761 WeakPolarHBondContact CG-O 3.45Å; R740-Y761 WeakPolarHBondContact O-CE1 3.4Å; K743-Y761 HydrophobicContact CB-CD1 4.03Å; K743-Y761 HydrophobicContact CB-CE1 3.93Å; K743-Y761 HydrophobicContact CD-CD1 4.49Å; M744-Y761 HydrophobicContact CB-CE1 3.99Å; M744-Y761 WeakPolarHBondContact CG-OH 3.45Å; G748-Y761 PolarHBondContact O-OH 3.23Å; P749-Y761 HydrophobicContact CG-CE2 3.94Å; P749-Y761 VanDerWaalsContact O-CE2 3.26Å; P749-Y761 WeakPolarHBondContact O-CE2 3.44Å; P749-Y761 PolarHBondContact O-OH 2.92Å; V751-Y761 HydrophobicContact CG2-CD2 4.17Å; V751-Y761 HydrophobicContact CG2-CE2 3.67Å; P758-Y761 HydrophobicContact CB-CD2 3.94Å; P758-Y761 HydrophobicContact CB-CE2 4.22Å; P758-Y761 HydrophobicContact CG-CD2 4.13Å; P758-Y761 HydrophobicContact CG-CE2 4.15Å; P758-Y761 PolarHBondContact O-N 2.81Å; K759-Y761 PolarHBondContact O-N 2.93Å
762	I	92.1	Very high	91.3	Very high	80 Å²	80	63.5 Å²	63.5	41%	0.41	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-47.7	-179.2	-59.3	167.2	0	0	0	109.6	L757 K759 T800	L757-I762 HydrophobicContact CB-CD1 4.18Å; L757-I762 HydrophobicContact CB-CG1 4.48Å; K759-I762 PolarHBondContact O-N 2.99Å; I762-T800 HydrophobicContact CG2-CG2 4.31Å
763	D	94.9	Very high	92.3	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.444	37%	0.373	S	S	.	.	S	Bend	trans	-81.9	158.5	176.8	-57.6	-24.3	0	0	0	110.4	K743 K759	K743-D763 PolarHBondContact NZ-O 3.02Å; K759-D763 WeakPolarHBondContact O-CB 3.26Å; K759-D763 PolarHBondContact O-N 2.82Å
764	E	97.8	Very high	93.7	Very high	102 Å²	102	58.7 Å²	58.7	48%	0.477	35%	0.35	S	S	.	.			trans	-64.1	133.6	180	-169.9	173.5	97.9	0	0	112.1	L766 T802 E805	E764-L766 HydrophobicContact CG-CD2 4.3Å; E764-L766 HydrophobicContact CG-CG 4.27Å; E764-T802 HydrophobicContact CB-CG2 3.88Å; E764-T802 HydrophobicContact CG-CG2 4.03Å; E764-T802 VanDerWaalsContact OE2-CB 3.24Å; E764-T802 WeakPolarHBondContact OE2-CB 3.12Å; E764-T802 WeakPolarHBondContact OE2-CG2 3.4Å; E764-T802 PolarHBondContact OE2-OG1 2.95Å; E764-E805 WeakPolarHBondContact CA-OE1 3.12Å; E764-E805 HydrophobicContact CG-CG 3.95Å
765	N	97.9	Very high	95	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	32%	0.315	C	S	.	.			trans	-149.5	80.1	173.2	-162.2	-41.9	0	0	0	112.5	S767 L768 V769 E805	N765-S767 PolarHBondContact O-N 2.97Å; N765-S767 PolarHBondContact OD1-N 2.61Å; N765-L768 HydrophobicContact CB-CB 4.34Å; N765-L768 HydrophobicContact CB-CD1 4.32Å; N765-L768 HydrophobicContact CB-CG 4.48Å; N765-L768 WeakPolarHBondContact ND2-CD1 3.16Å; N765-L768 PolarHBondContact O-N 3.4Å; N765-L768 WeakPolarHBondContact OD1-CG 3.33Å; N765-L768 PolarHBondContact OD1-N 2.94Å; N765-V769 WeakPolarHBondContact O-CG2 3.07Å; N765-V769 PolarHBondContact O-N 2.98Å; N765-V769 VanDerWaalsContact O-N 3.09Å; N765-E805 PolarHBondContact N-OE1 3.31Å
766	L	98.3	Very high	95.8	Very high	66 Å²	66	53.2 Å²	53.2	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-56.1	-31.3	177.3	-57.8	178.6	0	0	0	113.2	E764 V769 A770 A804 E805 L808	E764-L766 HydrophobicContact CG-CD2 4.3Å; E764-L766 HydrophobicContact CG-CG 4.27Å; L766-V769 PolarHBondContact O-N 3.38Å; L766-A770 WeakPolarHBondContact O-CB 3.45Å; L766-A770 PolarHBondContact O-N 2.96Å; L766-A804 HydrophobicContact CD2-CB 4Å; L766-E805 HydrophobicContact CD2-CB 4.48Å; L766-E805 HydrophobicContact CD2-CG 3.73Å; L766-L808 HydrophobicContact CB-CD2 3.83Å; L766-L808 HydrophobicContact CD2-CD2 3.85Å; L766-L808 HydrophobicContact CG-CD2 4.39Å; L766-L808 WeakPolarHBondContact O-CD2 3.34Å
767	S	98.3	Very high	96.4	Very high	95 Å²	95	47.4 Å²	47.4	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-68.5	-46.3	179.6	-170.7	0	0	0	0	112.2	N765 V769 A770 G771	N765-S767 PolarHBondContact O-N 2.97Å; N765-S767 PolarHBondContact OD1-N 2.61Å; S767-V769 VanDerWaalsContact C-N 3.35Å; S767-A770 PolarHBondContact O-N 2.88Å; S767-G771 PolarHBondContact O-N 3.44Å
768	L	98.2	Very high	96.9	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-36.9	175.4	-70.2	-179.6	0	0	0	111.4	K743 G746 E760 N765 G771 G772	K743-L768 HydrophobicContact CB-CB 3.97Å; K743-L768 HydrophobicContact CB-CD1 4.49Å; K743-L768 HydrophobicContact CG-CB 3.93Å; G746-L768 WeakPolarHBondContact CA-O 3.33Å; G746-L768 WeakPolarHBondContact O-CD2 3.45Å; E760-L768 HydrophobicContact CB-CD1 3.99Å; E760-L768 HydrophobicContact CG-CD1 4.31Å; N765-L768 HydrophobicContact CB-CB 4.34Å; N765-L768 HydrophobicContact CB-CD1 4.32Å; N765-L768 HydrophobicContact CB-CG 4.48Å; N765-L768 WeakPolarHBondContact ND2-CD1 3.16Å; N765-L768 PolarHBondContact O-N 3.4Å; N765-L768 WeakPolarHBondContact OD1-CG 3.33Å; N765-L768 PolarHBondContact OD1-N 2.94Å; L768-G771 PolarHBondContact O-N 3.15Å; L768-G772 PolarHBondContact O-N 2.88Å
769	V	98.4	Very high	97.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-49.8	173.4	170.8	0	0	0	0	111.2	V739 K743 N765 L766 S767 G771 G772 C773 E805 L808 V809	V739-V769 HydrophobicContact CG1-CG2 3.75Å; K743-V769 HydrophobicContact CD-CG2 4.34Å; K743-V769 HydrophobicContact CG-CG2 3.65Å; N765-V769 WeakPolarHBondContact O-CG2 3.07Å; N765-V769 PolarHBondContact O-N 2.98Å; N765-V769 VanDerWaalsContact O-N 3.09Å; L766-V769 PolarHBondContact O-N 3.38Å; S767-V769 VanDerWaalsContact C-N 3.35Å; V769-G771 PolarHBondContact O-N 3.46Å; V769-G772 PolarHBondContact O-N 2.95Å; V769-C773 PolarHBondContact O-N 3.48Å; V769-C773 PolarHBondContact O-SG 2.83Å; V769-E805 HydrophobicContact CG2-CB 4.44Å; V769-E805 HydrophobicContact CG2-CG 4.16Å; V769-L808 HydrophobicContact CB-CD2 4.33Å; V769-L808 HydrophobicContact CG1-CD2 4Å; V769-L808 HydrophobicContact CG1-CG 4.35Å; V769-V809 HydrophobicContact CG1-CG2 3.39Å
770	A	98.7	Very high	97.4	Very high	22 Å²	22	40.4 Å²	40.4	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-40.4	177.1	0	0	0	0	0	112.2	L766 S767 G772 C773 H774 L808 L812	L766-A770 WeakPolarHBondContact O-CB 3.45Å; L766-A770 PolarHBondContact O-N 2.96Å; S767-A770 PolarHBondContact O-N 2.88Å; A770-G772 VanDerWaalsContact C-N 3.35Å; A770-G772 PolarHBondContact O-N 3.02Å; A770-C773 PolarHBondContact O-N 3.2Å; A770-H774 WeakPolarHBondContact O-CB 3.48Å; A770-H774 PolarHBondContact O-N 3.47Å; A770-H774 PolarHBondContact O-ND1 3.02Å; A770-L808 HydrophobicContact CB-CD2 4.45Å; A770-L812 HydrophobicContact CB-CD1 3.87Å
771	G	98.4	Very high	97.6	Very high	27 Å²	27	36.8 Å²	36.8	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-41.8	174.4	0	0	0	0	0	113	S767 L768 V769 S775	S767-G771 PolarHBondContact O-N 3.44Å; L768-G771 PolarHBondContact O-N 3.15Å; V769-G771 PolarHBondContact O-N 3.46Å; G771-S775 WeakPolarHBondContact O-CB 3.18Å; G771-S775 PolarHBondContact O-N 2.68Å; G771-S775 PolarHBondContact O-OG 2.78Å
772	G	98.3	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-36.9	174.8	0	0	0	0	0	113.9	L742 G746 L768 V769 A770 N776 L777	L742-G772 WeakPolarHBondContact O-CA 3.34Å; G746-G772 VanDerWaalsContact CA-N 3.34Å; L768-G772 PolarHBondContact O-N 2.88Å; V769-G772 PolarHBondContact O-N 2.95Å; A770-G772 VanDerWaalsContact C-N 3.35Å; A770-G772 PolarHBondContact O-N 3.02Å; G772-N776 PolarHBondContact O-N 2.65Å; G772-L777 PolarHBondContact O-N 2.83Å
773	C	98.7	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-66.7	-53.2	176.6	-66.6	0	0	0	0	111.4	V769 A770 S775 L777 K778 L812	V769-C773 PolarHBondContact O-N 3.48Å; V769-C773 PolarHBondContact O-SG 2.83Å; A770-C773 PolarHBondContact O-N 3.2Å; C773-S775 PolarHBondContact O-N 2.57Å; C773-L777 HydrophobicContact CB-CD2 4.32Å; C773-K778 WeakPolarHBondContact O-CB 3.26Å; C773-K778 PolarHBondContact O-N 2.71Å; C773-L812 HydrophobicContact CB-CB 3.8Å; C773-L812 HydrophobicContact CB-CD1 3.71Å; C773-L812 HydrophobicContact CB-CG 4.43Å
774	H	98.4	Very high	98.2	Very high	94 Å²	94	33.4 Å²	33.4	44%	0.435	18%	0.183	S	C	.	.	I	π-helix	trans	-67.1	-20.6	-177.6	-68	124.4	0	0	0	114.4	A770 K778	A770-H774 WeakPolarHBondContact O-CB 3.48Å; A770-H774 PolarHBondContact O-N 3.47Å; A770-H774 PolarHBondContact O-ND1 3.02Å; H774-K778 WeakPolarHBondContact O-CD 3.3Å
775	S	97.6	Very high	98.1	Very high	26 Å²	26	32.5 Å²	32.5	18%	0.182	18%	0.178	C	C	.	.	I	π-helix	trans	-98.9	-92.8	175.2	63.4	0	0	0	0	112.1	H745 G771 C773 L777 K778 K779 G918 T919	H745-S775 PolarHBondContact O-OG 3.33Å; G771-S775 WeakPolarHBondContact O-CB 3.18Å; G771-S775 PolarHBondContact O-N 2.68Å; G771-S775 PolarHBondContact O-OG 2.78Å; C773-S775 PolarHBondContact O-N 2.57Å; S775-L777 PolarHBondContact O-N 2.84Å; S775-K778 PolarHBondContact O-N 3.01Å; S775-K779 WeakPolarHBondContact O-CB 3.47Å; S775-K779 PolarHBondContact O-N 3.27Å; S775-G918 WeakPolarHBondContact OG-CA 3.48Å; S775-T919 PolarHBondContact O-OG1 3.18Å; S775-T919 VanDerWaalsContact O-OG1 3.13Å
776	N	98.5	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-64.3	-47.4	-167.1	-162.8	-94.4	0	0	0	112.6	T416 H745 G772 K778 K779 Q780 G918	T416-N776 WeakPolarHBondContact CB-ND2 3.41Å; T416-N776 PolarHBondContact N-OD1 2.94Å; T416-N776 PolarHBondContact OG1-ND2 3.32Å; T416-N776 PolarHBondContact OG1-OD1 2.78Å; H745-N776 HydrophobicContact CB-CB 3.86Å; G772-N776 PolarHBondContact O-N 2.65Å; N776-K778 PolarHBondContact O-N 2.82Å; N776-K779 PolarHBondContact O-N 3.42Å; N776-Q780 WeakPolarHBondContact O-CG 3.18Å; N776-Q780 PolarHBondContact O-N 3.46Å; N776-G918 PolarHBondContact ND2-O 2.9Å
777	L	98.6	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-59.7	-50.2	-179.7	-174.2	68.7	0	0	0	110.7	I415 L735 A737 L742 G772 C773 S775 K779 Q780 I781 V793 A813	I415-L777 HydrophobicContact CG2-CD1 3.61Å; L735-L777 HydrophobicContact CD2-CD1 3.74Å; L735-L777 HydrophobicContact CG-CD1 4.23Å; A737-L777 HydrophobicContact CB-CD1 4.15Å; L742-L777 HydrophobicContact CD2-CB 3.91Å; L742-L777 HydrophobicContact CD2-CD2 4.49Å; G772-L777 PolarHBondContact O-N 2.83Å; C773-L777 HydrophobicContact CB-CD2 4.32Å; S775-L777 PolarHBondContact O-N 2.84Å; L777-K779 VanDerWaalsContact C-N 3.34Å; L777-K779 PolarHBondContact O-N 3.27Å; L777-Q780 PolarHBondContact O-N 2.88Å; L777-Q780 VanDerWaalsContact O-N 3.17Å; L777-I781 HydrophobicContact CG-CD1 4Å; L777-I781 WeakPolarHBondContact O-CG1 3.48Å; L777-I781 PolarHBondContact O-N 2.97Å; L777-V793 HydrophobicContact CD1-CG1 4.33Å; L777-V793 HydrophobicContact CD1-CG2 4.35Å; L777-A813 HydrophobicContact CD2-CB 4.09Å
778	K	98.6	Very high	97.9	Very high	80 Å²	80	26.6 Å²	26.6	35%	0.348	15%	0.145	S	C	.	.	H	α-helix	trans	-54.2	-47.1	175.2	-171.6	172.4	-171.4	168.7	0	112.4	C773 H774 S775 N776 Q780 I781 Q782 C816	C773-K778 WeakPolarHBondContact O-CB 3.26Å; C773-K778 PolarHBondContact O-N 2.71Å; H774-K778 WeakPolarHBondContact O-CD 3.3Å; S775-K778 PolarHBondContact O-N 3.01Å; N776-K778 PolarHBondContact O-N 2.82Å; K778-Q780 VanDerWaalsContact C-N 3.34Å; K778-Q780 PolarHBondContact O-N 2.8Å; K778-I781 PolarHBondContact O-N 2.96Å; K778-Q782 WeakPolarHBondContact O-CB 3.47Å; K778-Q782 VanDerWaalsContact O-CG 3.28Å; K778-Q782 WeakPolarHBondContact O-CG 3.29Å; K778-Q782 PolarHBondContact O-N 3.39Å; K778-C816 HydrophobicContact CB-CB 4.08Å; K778-C816 HydrophobicContact CG-CB 3.99Å
779	K	98.4	Very high	97.7	Very high	26 Å²	26	25.5 Å²	25.5	11%	0.113	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-36.4	179.4	-177.2	53.7	177.3	144.4	0	112.4	S775 N776 L777 Q782 N783 K871 V872 L910 T919	S775-K779 WeakPolarHBondContact O-CB 3.47Å; S775-K779 PolarHBondContact O-N 3.27Å; N776-K779 PolarHBondContact O-N 3.42Å; L777-K779 VanDerWaalsContact C-N 3.34Å; L777-K779 PolarHBondContact O-N 3.27Å; K779-Q782 PolarHBondContact O-N 2.99Å; K779-N783 WeakPolarHBondContact CE-OD1 3.39Å; K779-N783 PolarHBondContact NZ-OD1 2.69Å; K779-N783 WeakPolarHBondContact O-CB 3.41Å; K779-N783 PolarHBondContact O-N 3.45Å; K779-N783 PolarHBondContact O-ND2 2.88Å; K779-N783 PolarHBondContact O-OD1 2.87Å; K779-K871 PolarHBondContact NZ-O 3.37Å; K779-V872 WeakPolarHBondContact CE-O 3.26Å; K779-V872 PolarHBondContact NZ-O 3.38Å; K779-L910 HydrophobicContact CB-CD1 4.24Å; K779-L910 HydrophobicContact CG-CD1 3.71Å; K779-L910 HydrophobicContact CG-CD2 4.39Å; K779-T919 HydrophobicContact CB-CG2 4.16Å; K779-T919 WeakPolarHBondContact CB-OG1 3.38Å; K779-T919 HydrophobicContact CD-CG2 4.5Å; K779-T919 HydrophobicContact CG-CG2 4Å
780	Q	98.1	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.3	-37.3	177	-61	-73.4	24.1	0	0	112	T416 A711 D712 L735 N776 L777 K778 N783 A784	T416-Q780 PolarHBondContact OG1-NE2 2.79Å; A711-Q780 HydrophobicContact CB-CB 4.39Å; D712-Q780 PolarHBondContact OD1-NE2 2.84Å; L735-Q780 HydrophobicContact CD1-CB 4.04Å; L735-Q780 HydrophobicContact CD2-CB 4Å; N776-Q780 WeakPolarHBondContact O-CG 3.18Å; N776-Q780 PolarHBondContact O-N 3.46Å; L777-Q780 PolarHBondContact O-N 2.88Å; L777-Q780 VanDerWaalsContact O-N 3.17Å; K778-Q780 VanDerWaalsContact C-N 3.34Å; K778-Q780 PolarHBondContact O-N 2.8Å; Q780-N783 PolarHBondContact O-N 2.94Å; Q780-N783 PolarHBondContact OE1-ND2 3.25Å; Q780-A784 PolarHBondContact O-N 2.83Å; Q780-A784 VanDerWaalsContact O-N 3.16Å
781	I	98.5	Very high	97.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-46.5	169.9	-65.1	165.5	0	0	0	110.4	L735 L777 K778 N783 A784 H785 V791 V793 C816 A818	L735-I781 HydrophobicContact CD2-CD1 4.47Å; L735-I781 HydrophobicContact CD2-CG1 3.54Å; L777-I781 HydrophobicContact CG-CD1 4Å; L777-I781 WeakPolarHBondContact O-CG1 3.48Å; L777-I781 PolarHBondContact O-N 2.97Å; K778-I781 PolarHBondContact O-N 2.96Å; I781-N783 VanDerWaalsContact C-N 3.33Å; I781-N783 PolarHBondContact O-N 2.85Å; I781-A784 PolarHBondContact O-N 2.77Å; I781-H785 PolarHBondContact O-N 2.58Å; I781-H785 PolarHBondContact O-ND1 3.24Å; I781-V791 HydrophobicContact CG1-CG1 4.31Å; I781-V791 HydrophobicContact CG2-CG2 4.5Å; I781-V793 HydrophobicContact CD1-CG2 4.16Å; I781-V793 HydrophobicContact CG1-CG2 4.43Å; I781-C816 HydrophobicContact CD1-CB 3.82Å; I781-C816 WeakPolarHBondContact CG2-O 3.45Å; I781-A818 HydrophobicContact CD1-CB 4.23Å
782	Q	98	Very high	97.6	Very high	93 Å²	93	24 Å²	24	44%	0.435	12%	0.123	S	C	.	.	H	α-helix	trans	-59.9	-41.8	175.3	-74.1	172.8	-18.8	0	0	112.1	K778 K779 A784 H785 L786	K778-Q782 WeakPolarHBondContact O-CB 3.47Å; K778-Q782 VanDerWaalsContact O-CG 3.28Å; K778-Q782 WeakPolarHBondContact O-CG 3.29Å; K778-Q782 PolarHBondContact O-N 3.39Å; K779-Q782 PolarHBondContact O-N 2.99Å; Q782-A784 VanDerWaalsContact C-N 3.29Å; Q782-A784 PolarHBondContact O-N 3.46Å; Q782-H785 PolarHBondContact O-N 2.99Å; Q782-L786 PolarHBondContact O-N 3.32Å
783	N	97.8	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-36.3	178.4	-75.3	-11.1	0	0	0	112.3	M715 K779 Q780 I781 L786 F787 V872	M715-N783 HydrophobicContact CE-CB 4.12Å; K779-N783 WeakPolarHBondContact CE-OD1 3.39Å; K779-N783 PolarHBondContact NZ-OD1 2.69Å; K779-N783 WeakPolarHBondContact O-CB 3.41Å; K779-N783 PolarHBondContact O-N 3.45Å; K779-N783 PolarHBondContact O-ND2 2.88Å; K779-N783 PolarHBondContact O-OD1 2.87Å; Q780-N783 PolarHBondContact O-N 2.94Å; Q780-N783 PolarHBondContact OE1-ND2 3.25Å; I781-N783 VanDerWaalsContact C-N 3.33Å; I781-N783 PolarHBondContact O-N 2.85Å; N783-L786 WeakPolarHBondContact O-CB 3.35Å; N783-F787 VanDerWaalsContact O-CD2 3.24Å; N783-F787 WeakPolarHBondContact O-CD2 3.1Å; N783-F787 WeakPolarHBondContact O-CE2 3.36Å; N783-V872 PolarHBondContact ND2-O 3.39Å; N783-V872 PolarHBondContact OD1-O 2.93Å
784	A	96	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-39.5	174.5	0	0	0	0	0	112.3	M715 M733 Q780 I781 Q782 L786 F787 V791	M715-A784 HydrophobicContact CE-CB 4.1Å; M715-A784 HydrophobicContact SD-CB 3.64Å; M733-A784 HydrophobicContact CG-CB 4.49Å; M733-A784 HydrophobicContact SD-CB 4.31Å; Q780-A784 PolarHBondContact O-N 2.83Å; Q780-A784 VanDerWaalsContact O-N 3.16Å; I781-A784 PolarHBondContact O-N 2.77Å; Q782-A784 VanDerWaalsContact C-N 3.29Å; Q782-A784 PolarHBondContact O-N 3.46Å; A784-L786 PolarHBondContact O-N 2.82Å; A784-F787 PolarHBondContact O-N 3.48Å; A784-V791 HydrophobicContact CB-CG2 3.43Å; A784-V791 VanDerWaalsContact CB-CG2 3.43Å
785	H	96.1	Very high	97.6	Very high	83 Å²	83	19.6 Å²	19.6	38%	0.384	10%	0.103	S	C	.	.	H	α-helix	trans	-63.2	-25.3	177.5	-76.3	93.8	0	0	0	113.8	I781 Q782 F787 G788 G817	I781-H785 PolarHBondContact O-N 2.58Å; I781-H785 PolarHBondContact O-ND1 3.24Å; Q782-H785 PolarHBondContact O-N 2.99Å; H785-F787 PolarHBondContact O-N 2.91Å; H785-F787 VanDerWaalsContact O-N 3.12Å; H785-G788 PolarHBondContact O-N 3.35Å; H785-G817 PolarHBondContact CE1-O 3.25Å
786	L	97.3	Very high	97.6	Very high	56 Å²	56	18.7 Å²	18.7	29%	0.293	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	170.9	-63.5	174.9	0	0	0	112.6	Q782 N783 A784 Q852 L854 K871 V872	Q782-L786 PolarHBondContact O-N 3.32Å; N783-L786 WeakPolarHBondContact O-CB 3.35Å; A784-L786 PolarHBondContact O-N 2.82Å; L786-Q852 PolarHBondContact O-NE2 3.25Å; L786-L854 HydrophobicContact CB-CD1 4.15Å; L786-L854 HydrophobicContact CD1-CD1 3.92Å; L786-K871 HydrophobicContact CD1-CB 4.04Å; L786-V872 HydrophobicContact CD1-CG2 4.47Å
787	F	97.4	Very high	97.6	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.3	-179.2	-59.1	-98.4	0	0	0	113.5	M715 F719 N783 A784 H785 V789 F851 Q852 L854	M715-F787 HydrophobicContact CE-CD2 4.39Å; M715-F787 HydrophobicContact CE-CE2 4.21Å; F719-F787 HydrophobicContact CB-CD1 3.53Å; F719-F787 HydrophobicContact CB-CE1 3.49Å; F719-F787 VanDerWaalsContact CB-CE1 3.49Å; F719-F787 HydrophobicContact CB-CG 4.3Å; F719-F787 HydrophobicContact CB-CZ 4.24Å; F719-F787 HydrophobicContact CD2-CB 3.76Å; F719-F787 AromaticContact CD2-CD1 3.5Å; F719-F787 HydrophobicContact CD2-CD1 3.5Å; F719-F787 AromaticContact CD2-CD2 3.6Å; F719-F787 HydrophobicContact CD2-CD2 3.6Å; F719-F787 AromaticContact CD2-CE1 3.88Å; F719-F787 HydrophobicContact CD2-CE1 3.88Å; F719-F787 AromaticContact CD2-CE2 3.98Å; F719-F787 HydrophobicContact CD2-CE2 3.98Å; F719-F787 AromaticContact CD2-CG 3.34Å; F719-F787 HydrophobicContact CD2-CG 3.34Å; F719-F787 HydrophobicContact CD2-CZ 4.11Å; F719-F787 HydrophobicContact CE2-CB 3.98Å; F719-F787 HydrophobicContact CE2-CD2 4.07Å; F719-F787 AromaticContact CE2-CG 3.97Å; F719-F787 HydrophobicContact CE2-CG 3.97Å; F719-F787 AromaticContact CG-CD1 3.9Å; F719-F787 HydrophobicContact CG-CD1 3.9Å; F719-F787 HydrophobicContact CG-CE1 4.19Å; F719-F787 HydrophobicContact CG-CG 4.18Å; N783-F787 VanDerWaalsContact O-CD2 3.24Å; N783-F787 WeakPolarHBondContact O-CD2 3.1Å; N783-F787 WeakPolarHBondContact O-CE2 3.36Å; A784-F787 PolarHBondContact O-N 3.48Å; H785-F787 PolarHBondContact O-N 2.91Å; H785-F787 VanDerWaalsContact O-N 3.12Å; F787-V789 HydrophobicContact CB-CG2 4.22Å; F787-F851 HydrophobicContact CB-CD2 4.39Å; F787-F851 HydrophobicContact CB-CE2 4.21Å; F787-F851 HydrophobicContact CD1-CE2 4.44Å; F787-F851 VanDerWaalsContact O-CA 3.29Å; F787-F851 WeakPolarHBondContact O-CA 3.45Å; F787-Q852 WeakPolarHBondContact CA-O 3.49Å; F787-Q852 VanDerWaalsContact CD1-O 3.29Å; F787-Q852 WeakPolarHBondContact CD1-O 3.26Å; F787-Q852 PolarHBondContact O-N 3.23Å; F787-L854 HydrophobicContact CE1-CB 3.85Å; F787-L854 HydrophobicContact CZ-CB 3.91Å; F787-L854 HydrophobicContact CZ-CD2 4.43Å
788	G	95.7	Very high	97.3	Very high	25 Å²	25	22.9 Å²	22.9	26%	0.258	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	28	177.3	0	0	0	0	0	115.7	H785 N850	H785-G788 PolarHBondContact O-N 3.35Å; G788-N850 PolarHBondContact O-N 3.36Å
789	V	94.3	Very high	96.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	15%	0.145	C	C	.	.			trans	-106.1	132.7	-179.6	-170.2	0	0	0	0	110.3	F719 P730 M733 F787 F851	F719-V789 HydrophobicContact CE2-CG2 4.21Å; F719-V789 HydrophobicContact CZ-CG2 3.99Å; P730-V789 HydrophobicContact CB-CG1 4.22Å; P730-V789 HydrophobicContact CB-CG2 4.48Å; P730-V789 HydrophobicContact CG-CG1 4.21Å; P730-V789 HydrophobicContact CG-CG2 3.61Å; M733-V789 HydrophobicContact CB-CG1 3.9Å; F787-V789 HydrophobicContact CB-CG2 4.22Å; V789-F851 HydrophobicContact CG2-CD2 3.7Å; V789-F851 HydrophobicContact CG2-CE2 4.33Å
790	P	96.3	Very high	96.6	Very high	17 Å²	17	30.8 Å²	30.8	11%	0.11	16%	0.155	C	C	.	.			trans	-69.3	139.9	176	29.1	-34.7	0	0	0	111.3	N731 M733 T849	N731-P790 WeakPolarHBondContact O-CD 3.48Å; N731-P790 WeakPolarHBondContact O-CG 3.31Å; M733-P790 PolarHBondContact N-O 2.9Å; P790-T849 HydrophobicContact CG-CG2 4.16Å
791	V	98	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.6	-176.7	-176.4	0	0	0	0	111	M733 L735 I781 A784 V793 S819	M733-V791 CarbonylContact O-C 3.55Å; M733-V791 VanDerWaalsContact O-CA 3.3Å; M733-V791 WeakPolarHBondContact O-CA 3.48Å; M733-V791 HydrophobicContact SD-CG1 3.99Å; M733-V791 HydrophobicContact SD-CG2 4.31Å; L735-V791 HydrophobicContact CB-CG1 3.87Å; L735-V791 HydrophobicContact CD2-CG1 4.39Å; I781-V791 HydrophobicContact CG1-CG1 4.31Å; I781-V791 HydrophobicContact CG2-CG2 4.5Å; A784-V791 HydrophobicContact CB-CG2 3.43Å; A784-V791 VanDerWaalsContact CB-CG2 3.43Å; V791-V793 HydrophobicContact CG1-CG2 4.39Å; V791-S819 WeakPolarHBondContact O-CB 3.34Å; V791-S819 PolarHBondContact O-N 2.79Å
792	V	98.8	Very high	96.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.4	166.4	179	0	0	0	0	108.6	V732 M733 V734 L735 D820 L837 A840 V841 A844	V732-V792 HydrophobicContact CG1-CG2 4Å; M733-V792 PolarHBondContact O-N 3.15Å; V734-V792 CarbonylContact C-O 3.52Å; V734-V792 VanDerWaalsContact CA-O 3.29Å; V734-V792 WeakPolarHBondContact CA-O 3.31Å; L735-V792 PolarHBondContact N-O 3.22Å; V792-D820 CarbonylContact C-O 3.58Å; V792-D820 WeakPolarHBondContact CA-O 3.36Å; V792-D820 HydrophobicContact CG1-CB 4.43Å; V792-L837 HydrophobicContact CG1-CD1 3.67Å; V792-A840 HydrophobicContact CG1-CB 3.81Å; V792-V841 HydrophobicContact CB-CG2 4.44Å; V792-V841 HydrophobicContact CG1-CG2 4.45Å; V792-A844 HydrophobicContact CG2-CB 3.83Å
793	V	98.9	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.6	178.6	172.8	0	0	0	0	110.4	L735 L777 I781 V791 A813 A818 D820 A821 V822	L735-V793 HydrophobicContact CB-CG2 4.25Å; L735-V793 HydrophobicContact CD2-CG2 4.28Å; L735-V793 WeakPolarHBondContact O-CA 3.4Å; L777-V793 HydrophobicContact CD1-CG1 4.33Å; L777-V793 HydrophobicContact CD1-CG2 4.35Å; I781-V793 HydrophobicContact CD1-CG2 4.16Å; I781-V793 HydrophobicContact CG1-CG2 4.43Å; V791-V793 HydrophobicContact CG1-CG2 4.39Å; V793-A813 HydrophobicContact CB-CB 4.05Å; V793-A813 HydrophobicContact CG1-CB 4.17Å; V793-A813 HydrophobicContact CG2-CB 3.95Å; V793-A818 HydrophobicContact CG2-CB 3.82Å; V793-D820 PolarHBondContact N-O 3.28Å; V793-A821 HydrophobicContact CB-CB 3.81Å; V793-A821 HydrophobicContact CG1-CB 4.4Å; V793-A821 WeakPolarHBondContact O-CA 3.28Å; V793-V822 PolarHBondContact O-N 2.61Å
794	A	98.8	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	103.2	174.6	0	0	0	0	0	109.3	V427 V734 L735 V736 A737 N796 L837	V427-A794 HydrophobicContact CG1-CB 3.84Å; V734-A794 HydrophobicContact CG1-CB 3.74Å; L735-A794 PolarHBondContact O-N 3.2Å; V736-A794 WeakPolarHBondContact CA-O 3.39Å; V736-A794 HydrophobicContact CG2-CB 4.38Å; A737-A794 PolarHBondContact N-O 2.94Å; A794-N796 PolarHBondContact O-N 3.46Å; A794-L837 HydrophobicContact CB-CD1 3.84Å; A794-L837 HydrophobicContact CB-CD2 3.83Å
795	L	98.6	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	104	173.7	176.5	59.4	0	0	0	109.3	V739 V797 I806 V809 V822 C824	V739-L795 HydrophobicContact CG2-CD1 4.16Å; V739-L795 HydrophobicContact CG2-CD2 4.43Å; L795-V797 HydrophobicContact CG-CG2 4.29Å; L795-V797 PolarHBondContact O-N 3.39Å; L795-I806 HydrophobicContact CD2-CB 4.19Å; L795-I806 HydrophobicContact CD2-CG1 4.1Å; L795-I806 HydrophobicContact CD2-CG2 4.15Å; L795-V809 HydrophobicContact CD1-CG1 4.13Å; L795-V809 HydrophobicContact CD2-CB 3.94Å; L795-V809 HydrophobicContact CD2-CG1 4.05Å; L795-V809 HydrophobicContact CD2-CG2 4.5Å; L795-V809 HydrophobicContact CG-CG1 4.47Å; L795-V822 PolarHBondContact N-O 3.19Å; L795-C824 WeakPolarHBondContact O-CB 3.29Å; L795-C824 PolarHBondContact O-N 3.25Å
796	N	98	Very high	96.8	Very high	7 Å²	7	32 Å²	32	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	110.8	175.7	-179.6	23.1	0	0	0	109.6	E422 V427 V736 A737 T738 A794	E422-N796 PolarHBondContact O-ND2 2.97Å; V427-N796 HydrophobicContact CG2-CB 4.13Å; V736-N796 HydrophobicContact CG1-CB 4.41Å; A737-N796 PolarHBondContact O-N 3.24Å; T738-N796 HydrophobicContact CG2-CB 4.16Å; A794-N796 PolarHBondContact O-N 3.46Å
797	V	96.9	Very high	96.9	Very high	19 Å²	19	33.5 Å²	33.5	12%	0.115	18%	0.179	C	C	.	.			trans	-90	126.5	-166	179.7	0	0	0	0	112.1	L795 D801 I806 P823 C824 R825	L795-V797 HydrophobicContact CG-CG2 4.29Å; L795-V797 PolarHBondContact O-N 3.39Å; V797-D801 HydrophobicContact CG1-CB 4.27Å; V797-I806 HydrophobicContact CG1-CD1 3.63Å; V797-I806 HydrophobicContact CG1-CG1 4.37Å; V797-I806 HydrophobicContact CG2-CD1 4.15Å; V797-I806 HydrophobicContact CG2-CG1 4.29Å; V797-P823 HydrophobicContact CG2-CB 3.86Å; V797-C824 PolarHBondContact N-O 3.41Å; V797-R825 HydrophobicContact CB-CG 4.35Å
798	F	93.1	Very high	96.9	Very high	69 Å²	69	35.1 Å²	35.1	30%	0.303	19%	0.188	S	C	.	.			trans	-97.1	163.2	173.3	-74.8	-94.7	0	0	0	113	T738 T800 D801	T738-F798 HydrophobicContact CG2-CD2 4.31Å; T738-F798 HydrophobicContact CG2-CE2 3.68Å; F798-T800 PolarHBondContact O-N 2.94Å; F798-T800 VanDerWaalsContact O-N 3.15Å; F798-D801 PolarHBondContact N-OD2 3.47Å; F798-D801 WeakPolarHBondContact O-CB 3.4Å; F798-D801 PolarHBondContact O-N 3.18Å; F798-D801 VanDerWaalsContact O-N 3.1Å
799	K	90.5	Very high	97.1	Very high	220 Å²	220	34 Å²	34	96%	0.957	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23	-179.8	-177.2	176.6	176.3	-178.4	0	114.3
800	T	92	Very high	97.3	Very high	52 Å²	52	34.6 Å²	34.6	32%	0.319	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-17.3	178.8	43.8	0	0	0	0	114	I762 F798 T802	I762-T800 HydrophobicContact CG2-CG2 4.31Å; F798-T800 PolarHBondContact O-N 2.94Å; F798-T800 VanDerWaalsContact O-N 3.15Å; T800-T802 PolarHBondContact O-N 3.04Å
801	D	96.5	Very high	97.4	Very high	16 Å²	16	39 Å²	39	9%	0.086	20%	0.199	C	C	.	.			trans	-79.6	122.6	-166.2	-58.9	-2.7	0	0	0	109.4	V739 V797 F798 I806	V739-D801 HydrophobicContact CB-CB 4.19Å; V739-D801 HydrophobicContact CG2-CB 3.85Å; V797-D801 HydrophobicContact CG1-CB 4.27Å; F798-D801 PolarHBondContact N-OD2 3.47Å; F798-D801 WeakPolarHBondContact O-CB 3.4Å; F798-D801 PolarHBondContact O-N 3.18Å; F798-D801 VanDerWaalsContact O-N 3.1Å; D801-I806 HydrophobicContact CB-CD1 4.41Å; D801-I806 HydrophobicContact CB-CG1 4.39Å
802	T	98.1	Very high	97.4	Very high	39 Å²	39	39.4 Å²	39.4	24%	0.239	20%	0.201	C	C	.	.			trans	-77.9	159.9	-177.2	81.4	0	0	0	0	111.8	E764 T800 A804 E805 I806	E764-T802 HydrophobicContact CB-CG2 3.88Å; E764-T802 HydrophobicContact CG-CG2 4.03Å; E764-T802 VanDerWaalsContact OE2-CB 3.24Å; E764-T802 WeakPolarHBondContact OE2-CB 3.12Å; E764-T802 WeakPolarHBondContact OE2-CG2 3.4Å; E764-T802 PolarHBondContact OE2-OG1 2.95Å; T800-T802 PolarHBondContact O-N 3.04Å; T802-A804 VanDerWaalsContact C-N 3.29Å; T802-A804 PolarHBondContact O-N 2.88Å; T802-A804 PolarHBondContact OG1-N 2.87Å; T802-E805 PolarHBondContact N-OE2 3.45Å; T802-E805 VanDerWaalsContact N-OE2 3.15Å; T802-E805 PolarHBondContact O-N 3.18Å; T802-E805 WeakPolarHBondContact OG1-CG 3.44Å; T802-E805 PolarHBondContact OG1-N 2.91Å; T802-I806 WeakPolarHBondContact O-CD1 3.22Å; T802-I806 VanDerWaalsContact O-CG1 3.28Å; T802-I806 WeakPolarHBondContact O-CG1 3.3Å; T802-I806 PolarHBondContact O-N 2.94Å
803	Q	98.1	Very high	97.4	Very high	102 Å²	102	39.4 Å²	39.4	48%	0.477	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-36.8	177.2	-167.4	59.8	47.5	0	0	111.7	E805 I806 D807	Q803-E805 VanDerWaalsContact C-N 3.34Å; Q803-E805 PolarHBondContact O-N 3.08Å; Q803-I806 PolarHBondContact O-N 3.31Å; Q803-D807 PolarHBondContact NE2-OD1 3.03Å; Q803-D807 WeakPolarHBondContact O-CB 3.4Å; Q803-D807 PolarHBondContact O-N 2.9Å
804	A	98.5	Very high	97.4	Very high	43 Å²	43	44 Å²	44	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-37	175.7	0	0	0	0	0	112.5	L766 T802 L808	L766-A804 HydrophobicContact CD2-CB 4Å; T802-A804 VanDerWaalsContact C-N 3.29Å; T802-A804 PolarHBondContact O-N 2.88Å; T802-A804 PolarHBondContact OG1-N 2.87Å; A804-L808 WeakPolarHBondContact O-CB 3.4Å; A804-L808 PolarHBondContact O-N 3.2Å
805	E	98.7	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-41	173.7	-68.8	175.8	144.4	0	0	112.3	V739 K743 E764 N765 L766 V769 T802 Q803 V809	V739-E805 HydrophobicContact CG1-CB 3.93Å; V739-E805 HydrophobicContact CG1-CG 4.26Å; V739-E805 WeakPolarHBondContact CG1-OE2 3.16Å; V739-E805 HydrophobicContact CG2-CB 4.16Å; K743-E805 WeakPolarHBondContact CE-OE1 3.3Å; K743-E805 IonicContact NZ-OE1 3.6Å; K743-E805 PolarHBondContact NZ-OE1 3.45Å; K743-E805 IonicContact NZ-OE2 2.73Å; E764-E805 WeakPolarHBondContact CA-OE1 3.12Å; E764-E805 HydrophobicContact CG-CG 3.95Å; N765-E805 PolarHBondContact N-OE1 3.31Å; L766-E805 HydrophobicContact CD2-CB 4.48Å; L766-E805 HydrophobicContact CD2-CG 3.73Å; V769-E805 HydrophobicContact CG2-CB 4.44Å; V769-E805 HydrophobicContact CG2-CG 4.16Å; T802-E805 PolarHBondContact N-OE2 3.45Å; T802-E805 VanDerWaalsContact N-OE2 3.15Å; T802-E805 PolarHBondContact O-N 3.18Å; T802-E805 WeakPolarHBondContact OG1-CG 3.44Å; T802-E805 PolarHBondContact OG1-N 2.91Å; Q803-E805 VanDerWaalsContact C-N 3.34Å; Q803-E805 PolarHBondContact O-N 3.08Å; E805-V809 VanDerWaalsContact O-CG2 3.32Å; E805-V809 WeakPolarHBondContact O-CG2 3.19Å; E805-V809 PolarHBondContact O-N 2.64Å
806	I	98.6	Very high	97.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-50	176.9	-72.4	164.1	0	0	0	110.9	L795 V797 D801 T802 Q803 V809 C810 P823	L795-I806 HydrophobicContact CD2-CB 4.19Å; L795-I806 HydrophobicContact CD2-CG1 4.1Å; L795-I806 HydrophobicContact CD2-CG2 4.15Å; V797-I806 HydrophobicContact CG1-CD1 3.63Å; V797-I806 HydrophobicContact CG1-CG1 4.37Å; V797-I806 HydrophobicContact CG2-CD1 4.15Å; V797-I806 HydrophobicContact CG2-CG1 4.29Å; D801-I806 HydrophobicContact CB-CD1 4.41Å; D801-I806 HydrophobicContact CB-CG1 4.39Å; T802-I806 WeakPolarHBondContact O-CD1 3.22Å; T802-I806 VanDerWaalsContact O-CG1 3.28Å; T802-I806 WeakPolarHBondContact O-CG1 3.3Å; T802-I806 PolarHBondContact O-N 2.94Å; Q803-I806 PolarHBondContact O-N 3.31Å; I806-V809 PolarHBondContact O-N 2.68Å; I806-C810 PolarHBondContact O-N 3.25Å; I806-C810 VanDerWaalsContact O-N 3.08Å; I806-C810 PolarHBondContact O-SG 2.94Å; I806-P823 HydrophobicContact CG2-CB 3.82Å; I806-P823 HydrophobicContact CG2-CG 4.34Å
807	D	98.6	Very high	97.3	Very high	87 Å²	87	51.7 Å²	51.7	47%	0.465	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-43.3	-179.2	-64.6	-20.7	0	0	0	110.7	Q803 V809 C810 Q811	Q803-D807 PolarHBondContact NE2-OD1 3.03Å; Q803-D807 WeakPolarHBondContact O-CB 3.4Å; Q803-D807 PolarHBondContact O-N 2.9Å; D807-V809 PolarHBondContact O-N 2.88Å; D807-C810 PolarHBondContact O-N 3.09Å; D807-Q811 WeakPolarHBondContact O-CB 3.36Å; D807-Q811 PolarHBondContact O-N 3.45Å
808	L	98.8	Very high	97.4	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43.4	177.3	-178.7	64.4	0	0	0	112.5	L766 V769 A770 A804 Q811 L812	L766-L808 HydrophobicContact CB-CD2 3.83Å; L766-L808 HydrophobicContact CD2-CD2 3.85Å; L766-L808 HydrophobicContact CG-CD2 4.39Å; L766-L808 WeakPolarHBondContact O-CD2 3.34Å; V769-L808 HydrophobicContact CB-CD2 4.33Å; V769-L808 HydrophobicContact CG1-CD2 4Å; V769-L808 HydrophobicContact CG1-CG 4.35Å; A770-L808 HydrophobicContact CB-CD2 4.45Å; A804-L808 WeakPolarHBondContact O-CB 3.4Å; A804-L808 PolarHBondContact O-N 3.2Å; L808-Q811 PolarHBondContact O-N 2.97Å; L808-L812 HydrophobicContact CD1-CD1 3.77Å; L808-L812 HydrophobicContact CD1-CD2 4.48Å; L808-L812 HydrophobicContact CD1-CG 3.89Å; L808-L812 HydrophobicContact CG-CD1 3.93Å; L808-L812 HydrophobicContact CG-CG 4.33Å; L808-L812 WeakPolarHBondContact O-CB 3.27Å; L808-L812 VanDerWaalsContact O-CG 3.28Å; L808-L812 WeakPolarHBondContact O-CG 3.36Å; L808-L812 PolarHBondContact O-N 3.37Å
809	V	98.8	Very high	97.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-43.4	175.7	172.9	0	0	0	0	111	L742 V769 L795 E805 I806 D807 Q811 A813	L742-V809 HydrophobicContact CD1-CB 4.35Å; L742-V809 HydrophobicContact CD1-CG1 3.71Å; L742-V809 HydrophobicContact CD1-CG2 3.59Å; V769-V809 HydrophobicContact CG1-CG2 3.39Å; L795-V809 HydrophobicContact CD1-CG1 4.13Å; L795-V809 HydrophobicContact CD2-CB 3.94Å; L795-V809 HydrophobicContact CD2-CG1 4.05Å; L795-V809 HydrophobicContact CD2-CG2 4.5Å; L795-V809 HydrophobicContact CG-CG1 4.47Å; E805-V809 VanDerWaalsContact O-CG2 3.32Å; E805-V809 WeakPolarHBondContact O-CG2 3.19Å; E805-V809 PolarHBondContact O-N 2.64Å; I806-V809 PolarHBondContact O-N 2.68Å; D807-V809 PolarHBondContact O-N 2.88Å; V809-Q811 VanDerWaalsContact C-N 3.34Å; V809-Q811 PolarHBondContact O-N 3.19Å; V809-A813 WeakPolarHBondContact O-CB 3.44Å; V809-A813 PolarHBondContact O-N 3.31Å
810	C	98.7	Very high	98	Very high	16 Å²	16	41.5 Å²	41.5	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-34.3	-179.3	-64.1	0	0	0	0	112.2	I806 D807 K814 A821	I806-C810 PolarHBondContact O-N 3.25Å; I806-C810 VanDerWaalsContact O-N 3.08Å; I806-C810 PolarHBondContact O-SG 2.94Å; D807-C810 PolarHBondContact O-N 3.09Å; C810-K814 WeakPolarHBondContact O-CG 3.5Å; C810-A821 HydrophobicContact CB-CB 4.37Å
811	Q	98.7	Very high	98.3	Very high	108 Å²	108	39.1 Å²	39.1	51%	0.505	22%	0.216	S	C	.	.	H	α-helix	trans	-66.4	-59	170.9	179.4	-177.4	-21.3	0	0	111.2	D807 L808 V809 A813 K814 E815	D807-Q811 WeakPolarHBondContact O-CB 3.36Å; D807-Q811 PolarHBondContact O-N 3.45Å; L808-Q811 PolarHBondContact O-N 2.97Å; V809-Q811 VanDerWaalsContact C-N 3.34Å; V809-Q811 PolarHBondContact O-N 3.19Å; Q811-A813 PolarHBondContact O-N 2.79Å; Q811-K814 WeakPolarHBondContact O-CB 3.45Å; Q811-K814 PolarHBondContact O-N 3.03Å; Q811-E815 VanDerWaalsContact CG-OE1 3.3Å; Q811-E815 WeakPolarHBondContact CG-OE1 3.46Å; Q811-E815 PolarHBondContact NE2-OE1 2.91Å; Q811-E815 PolarHBondContact O-N 2.89Å; Q811-E815 VanDerWaalsContact O-N 3.08Å
812	L	98.8	Very high	98.4	Very high	10 Å²	10	39 Å²	39	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-29.1	-174.1	-66.8	-178.2	0	0	0	112.7	A770 C773 L808 E815 C816	A770-L812 HydrophobicContact CB-CD1 3.87Å; C773-L812 HydrophobicContact CB-CB 3.8Å; C773-L812 HydrophobicContact CB-CD1 3.71Å; C773-L812 HydrophobicContact CB-CG 4.43Å; L808-L812 HydrophobicContact CD1-CD1 3.77Å; L808-L812 HydrophobicContact CD1-CD2 4.48Å; L808-L812 HydrophobicContact CD1-CG 3.89Å; L808-L812 HydrophobicContact CG-CD1 3.93Å; L808-L812 HydrophobicContact CG-CG 4.33Å; L808-L812 WeakPolarHBondContact O-CB 3.27Å; L808-L812 VanDerWaalsContact O-CG 3.28Å; L808-L812 WeakPolarHBondContact O-CG 3.36Å; L808-L812 PolarHBondContact O-N 3.37Å; L812-E815 WeakPolarHBondContact CD2-OE2 3.49Å; L812-E815 PolarHBondContact O-N 3.33Å; L812-C816 VanDerWaalsContact O-CB 3.26Å; L812-C816 WeakPolarHBondContact O-CB 3.3Å; L812-C816 PolarHBondContact O-N 3.25Å; L812-C816 PolarHBondContact O-SG 3.28Å
813	A	98.7	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-43.8	171.7	0	0	0	0	0	112.4	L777 V793 V809 Q811 C816 G817 A818 A821	L777-A813 HydrophobicContact CD2-CB 4.09Å; V793-A813 HydrophobicContact CB-CB 4.05Å; V793-A813 HydrophobicContact CG1-CB 4.17Å; V793-A813 HydrophobicContact CG2-CB 3.95Å; V809-A813 WeakPolarHBondContact O-CB 3.44Å; V809-A813 PolarHBondContact O-N 3.31Å; Q811-A813 PolarHBondContact O-N 2.79Å; A813-C816 PolarHBondContact O-N 2.79Å; A813-G817 PolarHBondContact O-N 2.83Å; A813-A818 HydrophobicContact CB-CB 4.36Å; A813-A818 WeakPolarHBondContact O-CB 3.23Å; A813-A818 PolarHBondContact O-N 3.24Å; A813-A821 HydrophobicContact CB-CB 3.48Å; A813-A821 VanDerWaalsContact CB-CB 3.48Å
814	K	98.6	Very high	98.4	Very high	99 Å²	99	33.9 Å²	33.9	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-70	-42.5	178.5	-65	173	-174.4	-165.7	0	111	C810 Q811 C816 G817 D820 A821	C810-K814 WeakPolarHBondContact O-CG 3.5Å; Q811-K814 WeakPolarHBondContact O-CB 3.45Å; Q811-K814 PolarHBondContact O-N 3.03Å; K814-C816 PolarHBondContact O-N 3.35Å; K814-G817 PolarHBondContact O-N 3.5Å; K814-D820 WeakPolarHBondContact CE-OD1 3.46Å; K814-D820 IonicContact NZ-OD1 2.72Å; K814-D820 PolarHBondContact NZ-OD1 3.27Å; K814-A821 WeakPolarHBondContact CE-O 3.41Å; K814-A821 HydrophobicContact CG-CB 4.1Å
815	E	98.3	Very high	98.4	Very high	120 Å²	120	36.3 Å²	36.3	56%	0.561	19%	0.192	S	C	*	.	H	α-helix	trans	-61.2	-30.6	172.1	-65.9	179.3	-165	0	0	112.9	Q811 L812 G817	Q811-E815 VanDerWaalsContact CG-OE1 3.3Å; Q811-E815 WeakPolarHBondContact CG-OE1 3.46Å; Q811-E815 PolarHBondContact NE2-OE1 2.91Å; Q811-E815 PolarHBondContact O-N 2.89Å; Q811-E815 VanDerWaalsContact O-N 3.08Å; L812-E815 WeakPolarHBondContact CD2-OE2 3.49Å; L812-E815 PolarHBondContact O-N 3.33Å; E815-G817 PolarHBondContact O-N 2.8Å
816	C	97.9	Very high	98.3	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.095	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.1	173	-69.1	0	0	0	0	114.2	K778 I781 L812 A813 K814	K778-C816 HydrophobicContact CB-CB 4.08Å; K778-C816 HydrophobicContact CG-CB 3.99Å; I781-C816 HydrophobicContact CD1-CB 3.82Å; I781-C816 WeakPolarHBondContact CG2-O 3.45Å; L812-C816 VanDerWaalsContact O-CB 3.26Å; L812-C816 WeakPolarHBondContact O-CB 3.3Å; L812-C816 PolarHBondContact O-N 3.25Å; L812-C816 PolarHBondContact O-SG 3.28Å; A813-C816 PolarHBondContact O-N 2.79Å; K814-C816 PolarHBondContact O-N 3.35Å
817	G	97.2	Very high	98.2	Very high	34 Å²	34	41.5 Å²	41.5	35%	0.351	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	100	10.5	174.2	0	0	0	0	0	115.7	H785 A813 K814 E815	H785-G817 PolarHBondContact CE1-O 3.25Å; A813-G817 PolarHBondContact O-N 2.83Å; K814-G817 PolarHBondContact O-N 3.5Å; E815-G817 PolarHBondContact O-N 2.8Å
818	A	98.1	Very high	98.1	Very high	10 Å²	10	39.2 Å²	39.2	8%	0.083	20%	0.203	C	C	.	.			trans	-64.8	138.8	169.9	0	0	0	0	0	110.6	I781 V793 A813 D820	I781-A818 HydrophobicContact CD1-CB 4.23Å; V793-A818 HydrophobicContact CG2-CB 3.82Å; A813-A818 HydrophobicContact CB-CB 4.36Å; A813-A818 WeakPolarHBondContact O-CB 3.23Å; A813-A818 PolarHBondContact O-N 3.24Å; A818-D820 VanDerWaalsContact C-N 3.29Å; A818-D820 WeakPolarHBondContact CB-O 3.39Å; A818-D820 PolarHBondContact O-N 2.85Å
819	S	97.2	Very high	98.1	Very high	43 Å²	43	41.2 Å²	41.2	30%	0.301	21%	0.211	S	C	.	.	S	Bend	trans	-67	-32.5	175.7	-64.9	0	0	0	0	112.3	V791	V791-S819 WeakPolarHBondContact O-CB 3.34Å; V791-S819 PolarHBondContact O-N 2.79Å
820	D	98.4	Very high	98	Very high	40 Å²	40	41.2 Å²	41.2	21%	0.214	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	167.2	165	-164.4	13.4	0	0	0	110.1	V792 V793 K814 A818 A840	V792-D820 CarbonylContact C-O 3.58Å; V792-D820 WeakPolarHBondContact CA-O 3.36Å; V792-D820 HydrophobicContact CG1-CB 4.43Å; V793-D820 PolarHBondContact N-O 3.28Å; K814-D820 WeakPolarHBondContact CE-OD1 3.46Å; K814-D820 IonicContact NZ-OD1 2.72Å; K814-D820 PolarHBondContact NZ-OD1 3.27Å; A818-D820 VanDerWaalsContact C-N 3.29Å; A818-D820 WeakPolarHBondContact CB-O 3.39Å; A818-D820 PolarHBondContact O-N 2.85Å; D820-A840 HydrophobicContact CB-CB 4.08Å; D820-A840 WeakPolarHBondContact OD2-CB 3.43Å
821	A	98.6	Very high	97.9	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	125.7	178.3	0	0	0	0	0	110.1	V793 C810 A813 K814	V793-A821 HydrophobicContact CB-CB 3.81Å; V793-A821 HydrophobicContact CG1-CB 4.4Å; V793-A821 WeakPolarHBondContact O-CA 3.28Å; C810-A821 HydrophobicContact CB-CB 4.37Å; A813-A821 HydrophobicContact CB-CB 3.48Å; A813-A821 VanDerWaalsContact CB-CB 3.48Å; K814-A821 WeakPolarHBondContact CE-O 3.41Å; K814-A821 HydrophobicContact CG-CB 4.1Å
822	V	98.4	Very high	97.9	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.1	-169.6	-64.7	0	0	0	0	113.4	V793 L795 E836 L837	V793-V822 PolarHBondContact O-N 2.61Å; L795-V822 PolarHBondContact N-O 3.19Å; V822-E836 HydrophobicContact CB-CB 4.38Å; V822-E836 HydrophobicContact CG1-CB 4.33Å; V822-L837 HydrophobicContact CG2-CB 3.82Å; V822-L837 HydrophobicContact CG2-CD1 3.73Å; V822-L837 HydrophobicContact CG2-CG 4.4Å
823	P	98.3	Very high	97.9	Very high	34 Å²	34	43.8 Å²	43.8	22%	0.221	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.2	172.2	31.5	-33.2	0	0	0	112.1	V797 I806	V797-P823 HydrophobicContact CG2-CB 3.86Å; I806-P823 HydrophobicContact CG2-CB 3.82Å; I806-P823 HydrophobicContact CG2-CG 4.34Å
824	C	98.4	Very high	97.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.7	-175	-63.5	0	0	0	0	110.1	L795 V797 G833	L795-C824 WeakPolarHBondContact O-CB 3.29Å; L795-C824 PolarHBondContact O-N 3.25Å; V797-C824 PolarHBondContact N-O 3.41Å; C824-G833 CarbonylContact C-O 3.58Å
825	R	97.8	Very high	97.8	Very high	94 Å²	94	41.8 Å²	41.8	36%	0.355	21%	0.21	S	C	.	.			trans	-118.7	12.4	-175.1	-57.5	-175.3	-172.1	-94.2	4	113.7	V797 W827 S828 Q829 G833	V797-R825 HydrophobicContact CB-CG 4.35Å; R825-W827 VanDerWaalsContact C-N 3.28Å; R825-W827 PolarHBondContact O-N 3.5Å; R825-S828 PolarHBondContact O-N 3.42Å; R825-S828 PolarHBondContact O-OG 2.92Å; R825-Q829 PolarHBondContact O-N 3.26Å; R825-G833 PolarHBondContact N-O 3.16Å
826	H	97.7	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-30	-173.6	52.7	-85.6	0	0	0	114.9	T426 V427 A468 S828 Q829 G830 G833 S834	T426-H826 PolarHBondContact O-CD2 2.97Å; T426-H826 PolarHBondContact O-NE2 3.43Å; V427-H826 PolarHBondContact N-NE2 3.32Å; A468-H826 HydrophobicContact CB-CB 4.16Å; H826-S828 PolarHBondContact O-N 3.48Å; H826-S828 VanDerWaalsContact O-N 3.16Å; H826-Q829 PolarHBondContact O-N 3.48Å; H826-G830 VanDerWaalsContact CA-O 3.24Å; H826-G830 WeakPolarHBondContact CA-O 3.48Å; H826-G830 WeakPolarHBondContact CB-O 3.21Å; H826-G830 WeakPolarHBondContact O-CA 3.43Å; H826-G830 PolarHBondContact O-N 3.04Å; H826-G833 PolarHBondContact N-O 3.3Å; H826-S834 WeakPolarHBondContact CB-OG 3.44Å; H826-S834 PolarHBondContact ND1-OG 3.17Å
827	W	96.9	Very high	97.9	Very high	111 Å²	111	41 Å²	41	42%	0.42	20%	0.204	S	C	.	.	H	α-helix	trans	-54.3	-34.5	172	178.9	81.5	0	0	0	112.4	V354 T426 G465 Y467 R825	V354-W827 HydrophobicContact CB-CH2 3.61Å; V354-W827 HydrophobicContact CB-CZ2 4.23Å; V354-W827 HydrophobicContact CB-CZ3 3.87Å; V354-W827 HydrophobicContact CG1-CH2 3.73Å; V354-W827 HydrophobicContact CG1-CZ2 3.84Å; V354-W827 HydrophobicContact CG1-CZ3 4.11Å; V354-W827 HydrophobicContact CG2-CE3 4.36Å; V354-W827 HydrophobicContact CG2-CH2 4.05Å; V354-W827 HydrophobicContact CG2-CZ3 3.75Å; T426-W827 HydrophobicContact CG2-CB 4.23Å; G465-W827 VanDerWaalsContact C-CD1 3.42Å; Y467-W827 PolarHBondContact N-O 3.04Å; R825-W827 VanDerWaalsContact C-N 3.28Å; R825-W827 PolarHBondContact O-N 3.5Å
828	S	96.8	Very high	97.9	Very high	40 Å²	40	39.3 Å²	39.3	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-103.5	-5.4	179.1	62.9	0	0	0	0	114.9	P350 R825 H826	P350-S828 WeakPolarHBondContact CB-O 3.44Å; R825-S828 PolarHBondContact O-N 3.42Å; R825-S828 PolarHBondContact O-OG 2.92Å; H826-S828 PolarHBondContact O-N 3.48Å; H826-S828 VanDerWaalsContact O-N 3.16Å
829	Q	97.1	Very high	98	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	21%	0.208	S	C	.	.	H	α-helix	trans	-140.4	1.2	-169.2	-60.2	-173.5	8	0	0	115.3	R825 H826	R825-Q829 PolarHBondContact O-N 3.26Å; H826-Q829 PolarHBondContact O-N 3.48Å
830	G	97.2	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	62.3	-151.6	-173.4	0	0	0	0	0	112.9	Y467 H826 R832 G833	Y467-G830 VanDerWaalsContact O-CA 3.3Å; Y467-G830 WeakPolarHBondContact O-CA 3.47Å; H826-G830 VanDerWaalsContact CA-O 3.24Å; H826-G830 WeakPolarHBondContact CA-O 3.48Å; H826-G830 WeakPolarHBondContact CB-O 3.21Å; H826-G830 WeakPolarHBondContact O-CA 3.43Å; H826-G830 PolarHBondContact O-N 3.04Å; G830-R832 PolarHBondContact O-N 3.05Å; G830-R832 VanDerWaalsContact O-N 3.15Å; G830-G833 PolarHBondContact O-N 3.21Å
831	G	97.6	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.9	-178.6	0	0	0	0	0	113.8	A434 H438 E666 G833 S834 L835	A434-G831 VanDerWaalsContact CB-O 3.23Å; A434-G831 WeakPolarHBondContact CB-O 3.35Å; H438-G831 VanDerWaalsContact CD2-C 3.49Å; E666-G831 WeakPolarHBondContact OE2-CA 3.39Å; E666-G831 PolarHBondContact OE2-N 3.15Å; G831-G833 PolarHBondContact O-N 2.87Å; G831-S834 PolarHBondContact O-N 2.72Å; G831-L835 PolarHBondContact O-N 3.17Å
832	R	97.8	Very high	98	Very high	181 Å²	181	44.8 Å²	44.8	68%	0.683	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-57	-35.6	173.6	-173.7	178	178.4	-178.4	-0.1	112	H438 G830 S834 L835	H438-R832 PolarHBondContact NE2-N 2.87Å; G830-R832 PolarHBondContact O-N 3.05Å; G830-R832 VanDerWaalsContact O-N 3.15Å; R832-S834 PolarHBondContact O-N 3.13Å; R832-L835 PolarHBondContact O-N 2.95Å
833	G	97.8	Very high	98	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-76.9	3.7	177.8	0	0	0	0	0	115.5	C824 R825 H826 G830 G831	C824-G833 CarbonylContact C-O 3.58Å; R825-G833 PolarHBondContact N-O 3.16Å; H826-G833 PolarHBondContact N-O 3.3Å; G830-G833 PolarHBondContact O-N 3.21Å; G831-G833 PolarHBondContact O-N 2.87Å
834	S	98.4	Very high	97.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-129.2	18.7	172.3	-78.1	0	0	0	0	112.3	G430 A434 H826 G831 R832 E836 L837 A838	G430-S834 WeakPolarHBondContact O-CB 3.31Å; A434-S834 WeakPolarHBondContact CB-O 3.41Å; H826-S834 WeakPolarHBondContact CB-OG 3.44Å; H826-S834 PolarHBondContact ND1-OG 3.17Å; G831-S834 PolarHBondContact O-N 2.72Å; R832-S834 PolarHBondContact O-N 3.13Å; S834-E836 PolarHBondContact O-N 3.18Å; S834-L837 PolarHBondContact O-N 2.72Å; S834-A838 PolarHBondContact O-N 3.24Å
835	L	98.4	Very high	97.8	Very high	55 Å²	55	48.2 Å²	48.2	29%	0.288	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-43.1	-176.9	-173.9	61.9	0	0	0	112.6	H438 L439 G831 R832 A838 M839	H438-L835 HydrophobicContact CB-CD1 4Å; L439-L835 HydrophobicContact CD2-CD1 3.57Å; L439-L835 HydrophobicContact CG-CD1 3.8Å; G831-L835 PolarHBondContact O-N 3.17Å; R832-L835 PolarHBondContact O-N 2.95Å; L835-A838 PolarHBondContact O-N 3.11Å; L835-M839 HydrophobicContact CD1-CE 4.23Å; L835-M839 HydrophobicContact CD2-CE 4.38Å; L835-M839 HydrophobicContact CG-CE 4.04Å; L835-M839 WeakPolarHBondContact O-CG 3.38Å; L835-M839 PolarHBondContact O-N 3.14Å
836	E	98.5	Very high	97.6	Very high	115 Å²	115	46.6 Å²	46.6	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-42.9	175	-68.9	168.5	-151.6	0	0	111.4	V822 S834 A838 M839 A840	V822-E836 HydrophobicContact CB-CB 4.38Å; V822-E836 HydrophobicContact CG1-CB 4.33Å; S834-E836 PolarHBondContact O-N 3.18Å; E836-A838 VanDerWaalsContact C-N 3.33Å; E836-A838 PolarHBondContact O-N 2.93Å; E836-M839 PolarHBondContact O-N 3.33Å; E836-A840 WeakPolarHBondContact O-CB 3.39Å; E836-A840 PolarHBondContact O-N 2.97Å
837	L	98.8	Very high	97.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-39.2	175.1	-175.9	68	0	0	0	112.1	V427 L431 V734 V792 A794 V822 S834 M839 A840 V841	V427-L837 HydrophobicContact CG1-CD2 3.71Å; L431-L837 HydrophobicContact CB-CD2 4.19Å; L431-L837 HydrophobicContact CD1-CD2 4.22Å; L431-L837 HydrophobicContact CD1-CG 4.07Å; L431-L837 HydrophobicContact CD2-CD2 4.28Å; L431-L837 HydrophobicContact CG-CD2 4.47Å; V734-L837 HydrophobicContact CG1-CD1 4.33Å; V734-L837 HydrophobicContact CG1-CD2 4.45Å; V792-L837 HydrophobicContact CG1-CD1 3.67Å; A794-L837 HydrophobicContact CB-CD1 3.84Å; A794-L837 HydrophobicContact CB-CD2 3.83Å; V822-L837 HydrophobicContact CG2-CB 3.82Å; V822-L837 HydrophobicContact CG2-CD1 3.73Å; V822-L837 HydrophobicContact CG2-CG 4.4Å; S834-L837 PolarHBondContact O-N 2.72Å; L837-M839 VanDerWaalsContact C-N 3.33Å; L837-A840 PolarHBondContact O-N 2.75Å; L837-V841 HydrophobicContact CD1-CG2 4.3Å; L837-V841 HydrophobicContact CG-CG2 4.37Å; L837-V841 VanDerWaalsContact O-CB 3.31Å; L837-V841 WeakPolarHBondContact O-CB 3.41Å; L837-V841 VanDerWaalsContact O-CG2 3.24Å; L837-V841 WeakPolarHBondContact O-CG2 3.21Å; L837-V841 PolarHBondContact O-N 3.43Å
838	A	98.8	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-34.1	176	0	0	0	0	0	112.6	L431 A434 L435 L439 S834 L835 E836 K842	L431-A838 HydrophobicContact CD1-CB 3.98Å; A434-A838 HydrophobicContact CB-CB 3.59Å; L435-A838 HydrophobicContact CD2-CB 3.85Å; L435-A838 HydrophobicContact CG-CB 3.89Å; L439-A838 HydrophobicContact CD1-CB 3.63Å; S834-A838 PolarHBondContact O-N 3.24Å; L835-A838 PolarHBondContact O-N 3.11Å; E836-A838 VanDerWaalsContact C-N 3.33Å; E836-A838 PolarHBondContact O-N 2.93Å; A838-K842 WeakPolarHBondContact O-CB 3.32Å; A838-K842 PolarHBondContact O-N 3.45Å
839	M	98.7	Very high	96.2	Very high	103 Å²	103	53 Å²	53	51%	0.507	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-46.9	172.1	-67.8	178.6	179.6	0	0	111.7	L439 L835 E836 L837 V841 K842 E843	L439-M839 HydrophobicContact CD1-CG 4.35Å; L439-M839 HydrophobicContact CD2-CE 3.97Å; L835-M839 HydrophobicContact CD1-CE 4.23Å; L835-M839 HydrophobicContact CD2-CE 4.38Å; L835-M839 HydrophobicContact CG-CE 4.04Å; L835-M839 WeakPolarHBondContact O-CG 3.38Å; L835-M839 PolarHBondContact O-N 3.14Å; E836-M839 PolarHBondContact O-N 3.33Å; L837-M839 VanDerWaalsContact C-N 3.33Å; M839-V841 PolarHBondContact O-N 3.44Å; M839-K842 WeakPolarHBondContact O-CB 3.35Å; M839-K842 PolarHBondContact O-N 3.23Å; M839-E843 PolarHBondContact O-N 3Å
840	A	98.6	Very high	95.9	Very high	6 Å²	6	55.4 Å²	55.4	5%	0.05	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-44.1	176.9	0	0	0	0	0	112.6	V792 D820 E836 L837 E843 A844	V792-A840 HydrophobicContact CG1-CB 3.81Å; D820-A840 HydrophobicContact CB-CB 4.08Å; D820-A840 WeakPolarHBondContact OD2-CB 3.43Å; E836-A840 WeakPolarHBondContact O-CB 3.39Å; E836-A840 PolarHBondContact O-N 2.97Å; L837-A840 PolarHBondContact O-N 2.75Å; A840-E843 PolarHBondContact O-N 3.28Å; A840-A844 WeakPolarHBondContact O-CB 3.42Å; A840-A844 PolarHBondContact O-N 2.91Å
841	V	98.6	Very high	95.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-39.8	175.4	168.6	0	0	0	0	111.5	V410 L431 V732 V734 V792 L837 M839 A844 A845	V410-V841 HydrophobicContact CG1-CG1 4.04Å; V410-V841 HydrophobicContact CG2-CG1 3.79Å; L431-V841 HydrophobicContact CD1-CB 4.43Å; L431-V841 HydrophobicContact CD1-CG2 4.29Å; L431-V841 HydrophobicContact CD2-CG2 4.12Å; V732-V841 HydrophobicContact CG1-CG2 4.42Å; V734-V841 HydrophobicContact CG2-CG2 3.6Å; V792-V841 HydrophobicContact CB-CG2 4.44Å; V792-V841 HydrophobicContact CG1-CG2 4.45Å; L837-V841 HydrophobicContact CD1-CG2 4.3Å; L837-V841 HydrophobicContact CG-CG2 4.37Å; L837-V841 VanDerWaalsContact O-CB 3.31Å; L837-V841 WeakPolarHBondContact O-CB 3.41Å; L837-V841 VanDerWaalsContact O-CG2 3.24Å; L837-V841 WeakPolarHBondContact O-CG2 3.21Å; L837-V841 PolarHBondContact O-N 3.43Å; M839-V841 PolarHBondContact O-N 3.44Å; V841-A844 PolarHBondContact O-N 3.39Å; V841-A845 WeakPolarHBondContact O-CB 3.37Å; V841-A845 PolarHBondContact O-N 2.72Å
842	K	97.9	Very high	95.9	Very high	102 Å²	102	60.7 Å²	60.7	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-43.5	174.3	178.8	-179.9	-176.8	177.7	0	111.7	L441 A838 M839 G846	L441-K842 HydrophobicContact CD1-CD 4.28Å; A838-K842 WeakPolarHBondContact O-CB 3.32Å; A838-K842 PolarHBondContact O-N 3.45Å; M839-K842 WeakPolarHBondContact O-CB 3.35Å; M839-K842 PolarHBondContact O-N 3.23Å; K842-G846 PolarHBondContact O-N 3.33Å
843	E	97.9	Very high	95.9	Very high	114 Å²	114	55.5 Å²	55.5	53%	0.533	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-47.5	178	-159.7	-161.7	129	0	0	111.4	M839 A840 A845 G846 R847	M839-E843 PolarHBondContact O-N 3Å; A840-E843 PolarHBondContact O-N 3.28Å; E843-A845 VanDerWaalsContact C-N 3.31Å; E843-A845 PolarHBondContact O-N 2.9Å; E843-G846 PolarHBondContact O-N 3.41Å; E843-R847 IonicContact OE1-CZ 3.46Å; E843-R847 IonicContact OE1-NE 3.39Å; E843-R847 IonicContact OE1-NH2 3.49Å; E843-R847 PolarHBondContact OE1-NH2 2.85Å
844	A	97.1	Very high	95.9	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-40	177.4	0	0	0	0	0	112.3	V732 V792 A840 V841 G846 R847	V732-A844 HydrophobicContact CG1-CB 4.03Å; V732-A844 HydrophobicContact CG2-CB 3.67Å; V792-A844 HydrophobicContact CG2-CB 3.83Å; A840-A844 WeakPolarHBondContact O-CB 3.42Å; A840-A844 PolarHBondContact O-N 2.91Å; V841-A844 PolarHBondContact O-N 3.39Å; A844-G846 PolarHBondContact O-N 3.44Å; A844-R847 WeakPolarHBondContact O-CB 3.16Å; A844-R847 PolarHBondContact O-N 2.95Å; A844-R847 VanDerWaalsContact O-N 3.16Å
845	A	96.2	Very high	95.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.9	-14.1	177.5	0	0	0	0	0	114.2	K408 Y702 N731 V732 V841 E843	K408-A845 HydrophobicContact CB-CB 4.32Å; K408-A845 HydrophobicContact CD-CB 4.26Å; K408-A845 WeakPolarHBondContact CE-O 3.3Å; K408-A845 HydrophobicContact CG-CB 4.2Å; K408-A845 PolarHBondContact NZ-O 3.47Å; Y702-A845 HydrophobicContact CE1-CB 3.69Å; N731-A845 HydrophobicContact CB-CB 4.39Å; V732-A845 HydrophobicContact CG2-CB 3.66Å; V732-A845 VanDerWaalsContact CG2-N 3.27Å; V841-A845 WeakPolarHBondContact O-CB 3.37Å; V841-A845 PolarHBondContact O-N 2.72Å; E843-A845 VanDerWaalsContact C-N 3.31Å; E843-A845 PolarHBondContact O-N 2.9Å
846	G	92	Very high	95.8	Very high	60 Å²	60	58.1 Å²	58.1	62%	0.619	30%	0.304	S	S	*	.	H	α-helix	trans	-78.9	-20.2	170.6	0	0	0	0	0	113.4	K842 E843 A844	K842-G846 PolarHBondContact O-N 3.33Å; E843-G846 PolarHBondContact O-N 3.41Å; A844-G846 PolarHBondContact O-N 3.44Å
847	R	89.1	Confident	95.7	Very high	113 Å²	113	53.9 Å²	53.9	43%	0.426	29%	0.287	S	S	.	.	S	Bend	trans	-83.3	147.3	179.5	-56.5	178.7	-173.7	179.6	1.5	110.7	E843 A844	E843-R847 IonicContact OE1-CZ 3.46Å; E843-R847 IonicContact OE1-NE 3.39Å; E843-R847 IonicContact OE1-NH2 3.49Å; E843-R847 PolarHBondContact OE1-NH2 2.85Å; A844-R847 WeakPolarHBondContact O-CB 3.16Å; A844-R847 PolarHBondContact O-N 2.95Å; A844-R847 VanDerWaalsContact O-N 3.16Å
848	P	85.9	Confident	95.6	Very high	133 Å²	133	60 Å²	60	86%	0.864	32%	0.315	S	S	*	.			trans	-70.6	137.2	176.9	29	-34.5	0	0	0	111.6
849	T	87.8	Confident	95.5	Very high	41 Å²	41	62.8 Å²	62.8	25%	0.252	33%	0.329	S	S	.	.			trans	-105.5	132.4	179	55.5	0	0	0	0	112	N731 P790 F851	N731-T849 WeakPolarHBondContact O-CG2 3.34Å; P790-T849 HydrophobicContact CG-CG2 4.16Å; T849-F851 PolarHBondContact O-N 3.37Å
850	N	91.5	Very high	95.5	Very high	126 Å²	126	61.6 Å²	61.6	67%	0.674	33%	0.329	S	S	*	.			trans	-96.1	59.7	173.9	-170.3	33.4	0	0	0	111	G788 Q852	G788-N850 PolarHBondContact O-N 3.36Å; N850-Q852 PolarHBondContact O-N 2.65Å
851	F	96.7	Very high	95.5	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.048	33%	0.327	C	S	.	.			trans	-64.2	122.4	-173.3	178.2	-104.6	0	0	0	112.6	F719 C723 R729 P730 F787 V789 T849 F853	F719-F851 HydrophobicContact CB-CE2 4.01Å; F719-F851 HydrophobicContact CB-CZ 4.04Å; F719-F851 AromaticContact CD1-CE2 3.77Å; F719-F851 HydrophobicContact CD1-CE2 3.77Å; F719-F851 HydrophobicContact CD1-CZ 4.23Å; F719-F851 HydrophobicContact CD2-CE2 4.34Å; F719-F851 HydrophobicContact CE1-CE2 4.39Å; F719-F851 AromaticContact CG-CE2 3.79Å; F719-F851 HydrophobicContact CG-CE2 3.79Å; F719-F851 HydrophobicContact CG-CZ 4.26Å; C723-F851 HydrophobicContact CB-CE1 4.2Å; C723-F851 HydrophobicContact CB-CZ 4Å; R729-F851 HydrophobicContact CB-CB 4.39Å; R729-F851 HydrophobicContact CB-CD1 4.06Å; R729-F851 HydrophobicContact CB-CG 4.36Å; R729-F851 HydrophobicContact CG-CD1 3.77Å; R729-F851 HydrophobicContact CG-CE1 4.42Å; P730-F851 HydrophobicContact CG-CD2 3.58Å; P730-F851 HydrophobicContact CG-CE2 3.78Å; P730-F851 HydrophobicContact CG-CG 4.23Å; F787-F851 HydrophobicContact CB-CD2 4.39Å; F787-F851 HydrophobicContact CB-CE2 4.21Å; F787-F851 HydrophobicContact CD1-CE2 4.44Å; F787-F851 VanDerWaalsContact O-CA 3.29Å; F787-F851 WeakPolarHBondContact O-CA 3.45Å; V789-F851 HydrophobicContact CG2-CD2 3.7Å; V789-F851 HydrophobicContact CG2-CE2 4.33Å; T849-F851 PolarHBondContact O-N 3.37Å; F851-F853 HydrophobicContact CE1-CD1 4.12Å; F851-F853 AromaticContact CE1-CE1 3.64Å; F851-F853 HydrophobicContact CE1-CE1 3.64Å; F851-F853 AromaticContact CE1-CZ 3.95Å; F851-F853 HydrophobicContact CE1-CZ 3.95Å; F851-F853 HydrophobicContact CZ-CD1 4.08Å; F851-F853 AromaticContact CZ-CE1 3.87Å; F851-F853 HydrophobicContact CZ-CE1 3.87Å
852	Q	96.9	Very high	95.4	Very high	100 Å²	100	63.4 Å²	63.4	47%	0.467	34%	0.338	S	S	.	.			trans	-133.6	152.6	178.7	65.3	179.4	10.3	0	0	111.8	L786 F787 N850	L786-Q852 PolarHBondContact O-NE2 3.25Å; F787-Q852 WeakPolarHBondContact CA-O 3.49Å; F787-Q852 VanDerWaalsContact CD1-O 3.29Å; F787-Q852 WeakPolarHBondContact CD1-O 3.26Å; F787-Q852 PolarHBondContact O-N 3.23Å; N850-Q852 PolarHBondContact O-N 2.65Å
853	F	98.1	Very high	95.4	Very high	72 Å²	72	61.9 Å²	61.9	32%	0.316	33%	0.332	S	S	.	.			trans	-84.5	153.5	173.4	-56.4	-70.3	0	0	0	111.3	F719 C723 R724 F851 Y855	F719-F853 WeakPolarHBondContact O-CD1 3.41Å; F719-F853 VanDerWaalsContact O-CE1 3.26Å; F719-F853 WeakPolarHBondContact O-CE1 3.38Å; C723-F853 HydrophobicContact CB-CE1 4.14Å; R724-F853 HydrophobicContact CB-CE1 4.43Å; R724-F853 HydrophobicContact CG-CD1 3.81Å; R724-F853 HydrophobicContact CG-CE1 3.41Å; R724-F853 VanDerWaalsContact CG-CE1 3.41Å; R724-F853 HydrophobicContact CG-CE2 4.29Å; R724-F853 HydrophobicContact CG-CG 4.41Å; R724-F853 HydrophobicContact CG-CZ 3.68Å; F851-F853 HydrophobicContact CE1-CD1 4.12Å; F851-F853 AromaticContact CE1-CE1 3.64Å; F851-F853 HydrophobicContact CE1-CE1 3.64Å; F851-F853 AromaticContact CE1-CZ 3.95Å; F851-F853 HydrophobicContact CE1-CZ 3.95Å; F851-F853 HydrophobicContact CZ-CD1 4.08Å; F851-F853 AromaticContact CZ-CE1 3.87Å; F851-F853 HydrophobicContact CZ-CE1 3.87Å; F853-Y855 VanDerWaalsContact C-N 3.34Å; F853-Y855 PolarHBondContact O-N 3.4Å
854	L	98	Very high	95.5	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.084	31%	0.307	C	S	.	.	S	Bend	trans	-70	-29.2	-174.5	-175.4	66.9	0	0	0	114.1	N720 L786 F787 T867 I868 K871 V872	N720-L854 WeakPolarHBondContact ND2-CB 3.32Å; N720-L854 PolarHBondContact OD1-N 3.18Å; N720-L854 VanDerWaalsContact OD1-N 3.11Å; L786-L854 HydrophobicContact CB-CD1 4.15Å; L786-L854 HydrophobicContact CD1-CD1 3.92Å; F787-L854 HydrophobicContact CE1-CB 3.85Å; F787-L854 HydrophobicContact CZ-CB 3.91Å; F787-L854 HydrophobicContact CZ-CD2 4.43Å; L854-T867 HydrophobicContact CD2-CG2 4.45Å; L854-T867 HydrophobicContact CG-CG2 4.09Å; L854-I868 HydrophobicContact CD2-CG1 4Å; L854-K871 HydrophobicContact CD1-CB 4.18Å; L854-K871 HydrophobicContact CD1-CD 3.8Å; L854-V872 HydrophobicContact CD2-CG2 3.52Å
855	Y	98.1	Very high	95.5	Very high	10 Å²	10	56.3 Å²	56.3	4%	0.039	31%	0.305	C	S	.	.	S	Bend	trans	-148.6	157.4	-177.3	53.6	-96	0	0	0	110.5	N720 R724 F853 K864 I868 I901	N720-Y855 HydrophobicContact CB-CE1 4.08Å; N720-Y855 WeakPolarHBondContact ND2-CE1 3.25Å; R724-Y855 PolarHBondContact NH2-O 3.14Å; F853-Y855 VanDerWaalsContact C-N 3.34Å; F853-Y855 PolarHBondContact O-N 3.4Å; Y855-K864 HydrophobicContact CD2-CB 4.16Å; Y855-K864 HydrophobicContact CD2-CD 3.6Å; Y855-K864 HydrophobicContact CD2-CG 3.62Å; Y855-K864 HydrophobicContact CE2-CB 4.3Å; Y855-K864 HydrophobicContact CE2-CD 3.73Å; Y855-K864 HydrophobicContact CE2-CG 4.07Å; Y855-K864 HydrophobicContact CG-CB 4.4Å; Y855-K864 HydrophobicContact CG-CG 4.1Å; Y855-I868 HydrophobicContact CD1-CG1 4.21Å; Y855-I868 HydrophobicContact CE1-CD1 3.72Å; Y855-I868 HydrophobicContact CE1-CG1 3.77Å; Y855-I901 PolarHBondContact OH-N 2.78Å; Y855-I901 PolarHBondContact OH-O 3.39Å
856	N	97.1	Very high	95.6	Very high	94 Å²	94	58.8 Å²	58.8	50%	0.503	32%	0.315	S	S	.	.			trans	-79.5	148.9	170.4	-167	7.4	0	0	0	110.5	E858 M859	N856-E858 VanDerWaalsContact C-N 3.3Å; N856-E858 PolarHBondContact O-N 3.41Å; N856-M859 VanDerWaalsContact O-CB 3.26Å; N856-M859 WeakPolarHBondContact O-CB 3.32Å; N856-M859 PolarHBondContact O-N 3.41Å
857	T	96.1	Very high	95.9	Very high	27 Å²	27	56.7 Å²	56.7	17%	0.166	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-38.6	175.9	36.7	0	0	0	0	111.8	M859 K864 S898 P900	T857-M859 PolarHBondContact O-N 2.93Å; T857-M859 VanDerWaalsContact O-N 3.17Å; T857-K864 PolarHBondContact O-NZ 3.49Å; T857-S898 WeakPolarHBondContact CB-O 3.5Å; T857-S898 WeakPolarHBondContact CG2-O 3.27Å; T857-S898 WeakPolarHBondContact O-CA 3.28Å; T857-P900 HydrophobicContact CG2-CG 4.46Å
858	E	96.6	Very high	96.4	Very high	129 Å²	129	51.3 Å²	51.3	60%	0.603	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.1	-178.1	-44	-39.1	113.3	0	0	113.9	N856	N856-E858 VanDerWaalsContact C-N 3.3Å; N856-E858 PolarHBondContact O-N 3.41Å
859	M	97.4	Very high	97	Very high	59 Å²	59	45 Å²	45	29%	0.291	23%	0.228	S	C	.	.	S	Bend	trans	-66.6	138.7	167.8	178.5	179.5	-79.5	0	0	109.1	N856 T857 E863 K864	N856-M859 VanDerWaalsContact O-CB 3.26Å; N856-M859 WeakPolarHBondContact O-CB 3.32Å; N856-M859 PolarHBondContact O-N 3.41Å; T857-M859 PolarHBondContact O-N 2.93Å; T857-M859 VanDerWaalsContact O-N 3.17Å; M859-E863 HydrophobicContact CG-CB 3.59Å; M859-E863 HydrophobicContact SD-CB 3.88Å; M859-K864 HydrophobicContact CB-CD 4.23Å; M859-K864 HydrophobicContact CB-CG 3.73Å; M859-K864 HydrophobicContact CG-CG 3.74Å; M859-K864 WeakPolarHBondContact O-CD 3.27Å; M859-K864 WeakPolarHBondContact O-CE 3.46Å; M859-K864 PolarHBondContact O-NZ 3.37Å; M859-K864 HydrophobicContact SD-CG 3.84Å
860	P	97.9	Very high	97.5	Very high	78 Å²	78	46.9 Å²	46.9	51%	0.506	23%	0.234	S	C	.	.			trans	-53.5	147.8	178.2	-27.2	34.9	0	0	0	112.5	L862 E863 K864	P860-L862 PolarHBondContact O-N 3.12Å; P860-L862 VanDerWaalsContact O-N 3.14Å; P860-E863 HydrophobicContact CB-CG 4.37Å; P860-E863 HydrophobicContact CG-CG 4.43Å; P860-E863 PolarHBondContact O-N 2.81Å; P860-K864 PolarHBondContact O-N 2.83Å
861	I	98.1	Very high	97.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-47	-48.3	179.9	-62.6	170	0	0	0	110.7	E863 K864 I865 I888 N892 I901 I939	I861-E863 PolarHBondContact O-N 3.25Å; I861-K864 PolarHBondContact O-N 3.34Å; I861-I865 HydrophobicContact CG2-CD1 3.84Å; I861-I865 HydrophobicContact CG2-CG1 4.48Å; I861-I865 VanDerWaalsContact O-CG1 3.29Å; I861-I865 WeakPolarHBondContact O-CG1 3.39Å; I861-I865 PolarHBondContact O-N 3.18Å; I861-I865 VanDerWaalsContact O-N 3.09Å; I861-I888 HydrophobicContact CB-CG2 4.08Å; I861-I888 HydrophobicContact CD1-CG2 4.28Å; I861-I888 HydrophobicContact CG2-CD1 4.35Å; I861-I888 HydrophobicContact CG2-CG1 3.93Å; I861-I888 HydrophobicContact CG2-CG2 4.3Å; I861-N892 VanDerWaalsContact CD1-OD1 3.31Å; I861-N892 WeakPolarHBondContact CD1-OD1 3.44Å; I861-I901 HydrophobicContact CG2-CD1 4.02Å; I861-I939 HydrophobicContact CD1-CD1 3.62Å; I861-I939 HydrophobicContact CG1-CD1 4.05Å; I861-I939 HydrophobicContact CG2-CG2 4.5Å
862	L	97.5	Very high	97.9	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.225	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-46.5	-178.3	-172.1	59.7	0	0	0	113.3	P860 K864 I865 R866 I878 L880 I888	P860-L862 PolarHBondContact O-N 3.12Å; P860-L862 VanDerWaalsContact O-N 3.14Å; L862-K864 VanDerWaalsContact C-N 3.32Å; L862-K864 PolarHBondContact O-N 3.02Å; L862-I865 WeakPolarHBondContact O-CB 3.03Å; L862-I865 PolarHBondContact O-N 3Å; L862-R866 PolarHBondContact O-N 3.4Å; L862-I878 HydrophobicContact CD1-CD1 3.37Å; L862-I878 HydrophobicContact CG-CD1 4.2Å; L862-L880 HydrophobicContact CD1-CD1 3.64Å; L862-L880 HydrophobicContact CD1-CD2 4.02Å; L862-L880 HydrophobicContact CD1-CG 4.01Å; L862-L880 HydrophobicContact CD2-CD1 4.16Å; L862-I888 HydrophobicContact CD1-CD1 4.42Å
863	E	98	Very high	97.9	Very high	70 Å²	70	40.4 Å²	40.4	33%	0.327	20%	0.199	S	C	.	.	H	α-helix	trans	-70.3	-29.1	-178.9	-58.1	-44.9	135.1	0	0	112.3	M859 P860 I861 R866 T867	M859-E863 HydrophobicContact CG-CB 3.59Å; M859-E863 HydrophobicContact SD-CB 3.88Å; P860-E863 HydrophobicContact CB-CG 4.37Å; P860-E863 HydrophobicContact CG-CG 4.43Å; P860-E863 PolarHBondContact O-N 2.81Å; I861-E863 PolarHBondContact O-N 3.25Å; E863-R866 IonicContact OE1-NH1 2.77Å; E863-R866 PolarHBondContact OE1-NH1 3.21Å; E863-R866 IonicContact OE2-CZ 3.98Å; E863-R866 IonicContact OE2-NH1 2.78Å; E863-R866 PolarHBondContact OE2-NH1 2.96Å; E863-T867 WeakPolarHBondContact O-CB 3.4Å; E863-T867 PolarHBondContact O-N 3.26Å; E863-T867 PolarHBondContact O-OG1 2.79Å
864	K	98.4	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-43.3	170.4	-66.5	-178.9	-70.3	-159	0	111.2	Y855 T857 M859 P860 I861 L862 T867 I868 G897 S898 L899 I901	Y855-K864 HydrophobicContact CD2-CB 4.16Å; Y855-K864 HydrophobicContact CD2-CD 3.6Å; Y855-K864 HydrophobicContact CD2-CG 3.62Å; Y855-K864 HydrophobicContact CE2-CB 4.3Å; Y855-K864 HydrophobicContact CE2-CD 3.73Å; Y855-K864 HydrophobicContact CE2-CG 4.07Å; Y855-K864 HydrophobicContact CG-CB 4.4Å; Y855-K864 HydrophobicContact CG-CG 4.1Å; T857-K864 PolarHBondContact O-NZ 3.49Å; M859-K864 HydrophobicContact CB-CD 4.23Å; M859-K864 HydrophobicContact CB-CG 3.73Å; M859-K864 HydrophobicContact CG-CG 3.74Å; M859-K864 WeakPolarHBondContact O-CD 3.27Å; M859-K864 WeakPolarHBondContact O-CE 3.46Å; M859-K864 PolarHBondContact O-NZ 3.37Å; M859-K864 HydrophobicContact SD-CG 3.84Å; P860-K864 PolarHBondContact O-N 2.83Å; I861-K864 PolarHBondContact O-N 3.34Å; L862-K864 VanDerWaalsContact C-N 3.32Å; L862-K864 PolarHBondContact O-N 3.02Å; K864-T867 PolarHBondContact O-N 3.39Å; K864-I868 WeakPolarHBondContact O-CG1 3.24Å; K864-I868 PolarHBondContact O-N 3.37Å; K864-I868 VanDerWaalsContact O-N 3.14Å; K864-G897 PolarHBondContact NZ-O 3.46Å; K864-S898 PolarHBondContact NZ-O 2.77Å; K864-L899 PolarHBondContact NZ-O 2.91Å; K864-I901 HydrophobicContact CB-CD1 4.29Å; K864-I901 HydrophobicContact CB-CG1 3.46Å; K864-I901 VanDerWaalsContact CB-CG1 3.46Å; K864-I901 HydrophobicContact CD-CG1 4.35Å; K864-I901 HydrophobicContact CG-CG1 4.5Å
865	I	98.5	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-50.4	175.9	-61.8	169.5	0	0	0	110.4	I861 L862 T867 I868 A869 I878 I888 I901 M903 I927 P941	I861-I865 HydrophobicContact CG2-CD1 3.84Å; I861-I865 HydrophobicContact CG2-CG1 4.48Å; I861-I865 VanDerWaalsContact O-CG1 3.29Å; I861-I865 WeakPolarHBondContact O-CG1 3.39Å; I861-I865 PolarHBondContact O-N 3.18Å; I861-I865 VanDerWaalsContact O-N 3.09Å; L862-I865 WeakPolarHBondContact O-CB 3.03Å; L862-I865 PolarHBondContact O-N 3Å; I865-T867 VanDerWaalsContact C-N 3.34Å; I865-T867 PolarHBondContact O-N 2.85Å; I865-I868 PolarHBondContact O-N 3.08Å; I865-A869 WeakPolarHBondContact O-CB 3.47Å; I865-A869 PolarHBondContact O-N 3.47Å; I865-I878 HydrophobicContact CB-CD1 4.3Å; I865-I878 HydrophobicContact CG2-CD1 4.02Å; I865-I878 HydrophobicContact CG2-CG2 4.3Å; I865-I888 HydrophobicContact CD1-CD1 4.21Å; I865-I901 HydrophobicContact CG1-CD1 4.19Å; I865-I901 HydrophobicContact CG1-CG1 4.24Å; I865-I901 HydrophobicContact CG1-CG2 3.98Å; I865-M903 HydrophobicContact CG2-CE 4.08Å; I865-M903 HydrophobicContact CG2-SD 4.02Å; I865-I927 HydrophobicContact CG2-CD1 3.67Å; I865-I927 HydrophobicContact CG2-CG1 4.09Å; I865-P941 HydrophobicContact CD1-CB 4.21Å; I865-P941 HydrophobicContact CD1-CG 3.55Å; I865-P941 HydrophobicContact CG1-CG 3.71Å
866	R	98.6	Very high	97.9	Very high	52 Å²	52	43.2 Å²	43.2	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-44.1	176.5	179.4	179.4	-74.6	119.3	-1.2	111.8	L862 E863 I868 A869 Q870 D877 I878	L862-R866 PolarHBondContact O-N 3.4Å; E863-R866 IonicContact OE1-NH1 2.77Å; E863-R866 PolarHBondContact OE1-NH1 3.21Å; E863-R866 IonicContact OE2-CZ 3.98Å; E863-R866 IonicContact OE2-NH1 2.78Å; E863-R866 PolarHBondContact OE2-NH1 2.96Å; R866-I868 VanDerWaalsContact C-N 3.34Å; R866-I868 PolarHBondContact O-N 2.87Å; R866-A869 PolarHBondContact O-N 2.93Å; R866-A869 VanDerWaalsContact O-N 3.16Å; R866-Q870 HydrophobicContact CG-CG 4.22Å; R866-Q870 PolarHBondContact O-N 2.92Å; R866-D877 IonicContact CZ-OD1 2.71Å; R866-D877 IonicContact CZ-OD2 3.49Å; R866-D877 IonicContact NE-OD1 2.71Å; R866-D877 PolarHBondContact NE-OD1 3.22Å; R866-D877 IonicContact NE-OD2 3.6Å; R866-D877 IonicContact NH2-OD1 3.12Å; R866-D877 PolarHBondContact NH2-OD1 3.32Å; R866-D877 IonicContact NH2-OD2 3.34Å; R866-D877 PolarHBondContact NH2-OD2 2.89Å; R866-I878 HydrophobicContact CB-CD1 3.88Å; R866-I878 HydrophobicContact CB-CG1 4.25Å
867	T	98.6	Very high	97.9	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.092	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-42.6	179	-67.5	0	0	0	0	112	L854 E863 K864 I865 K871	L854-T867 HydrophobicContact CD2-CG2 4.45Å; L854-T867 HydrophobicContact CG-CG2 4.09Å; E863-T867 WeakPolarHBondContact O-CB 3.4Å; E863-T867 PolarHBondContact O-N 3.26Å; E863-T867 PolarHBondContact O-OG1 2.79Å; K864-T867 PolarHBondContact O-N 3.39Å; I865-T867 VanDerWaalsContact C-N 3.34Å; I865-T867 PolarHBondContact O-N 2.85Å; T867-K871 HydrophobicContact CG2-CD 3.8Å; T867-K871 HydrophobicContact CG2-CG 4.42Å; T867-K871 VanDerWaalsContact O-CB 3.24Å; T867-K871 WeakPolarHBondContact O-CB 3.4Å; T867-K871 WeakPolarHBondContact O-CG 3.46Å; T867-K871 PolarHBondContact O-N 3Å
868	I	98.5	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-47.2	174.6	-61	164	0	0	0	110.1	E716 L854 Y855 K864 I865 R866 Q870 V872 Y873 I901 M903	E716-I868 HydrophobicContact CG-CG2 4.26Å; L854-I868 HydrophobicContact CD2-CG1 4Å; Y855-I868 HydrophobicContact CD1-CG1 4.21Å; Y855-I868 HydrophobicContact CE1-CD1 3.72Å; Y855-I868 HydrophobicContact CE1-CG1 3.77Å; K864-I868 WeakPolarHBondContact O-CG1 3.24Å; K864-I868 PolarHBondContact O-N 3.37Å; K864-I868 VanDerWaalsContact O-N 3.14Å; I865-I868 PolarHBondContact O-N 3.08Å; R866-I868 VanDerWaalsContact C-N 3.34Å; R866-I868 PolarHBondContact O-N 2.87Å; I868-Q870 PolarHBondContact O-N 3.39Å; I868-V872 HydrophobicContact CG2-CB 4.2Å; I868-V872 HydrophobicContact CG2-CG2 4.12Å; I868-V872 WeakPolarHBondContact O-CA 3.47Å; I868-V872 VanDerWaalsContact O-CB 3.27Å; I868-V872 WeakPolarHBondContact O-CB 3.23Å; I868-V872 PolarHBondContact O-N 3.37Å; I868-Y873 HydrophobicContact CG2-CE1 4.31Å; I868-Y873 HydrophobicContact CG2-CE2 3.78Å; I868-Y873 WeakPolarHBondContact CG2-OH 3.14Å; I868-Y873 PolarHBondContact O-N 3.04Å; I868-I901 HydrophobicContact CD1-CB 3.75Å; I868-I901 HydrophobicContact CD1-CG2 3.75Å; I868-M903 HydrophobicContact CB-CG 4.35Å; I868-M903 HydrophobicContact CD1-CG 3.97Å; I868-M903 HydrophobicContact CG2-CG 3.88Å
869	A	98.3	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-58.1	-49.5	-177.7	0	0	0	0	0	112.8	I865 R866 Y873 G874 A875 I878 L925	I865-A869 WeakPolarHBondContact O-CB 3.47Å; I865-A869 PolarHBondContact O-N 3.47Å; R866-A869 PolarHBondContact O-N 2.93Å; R866-A869 VanDerWaalsContact O-N 3.16Å; A869-Y873 HydrophobicContact CB-CD2 4.49Å; A869-Y873 WeakPolarHBondContact O-CB 3.42Å; A869-Y873 PolarHBondContact O-N 3.25Å; A869-G874 PolarHBondContact O-N 3.24Å; A869-G874 VanDerWaalsContact O-N 3.14Å; A869-A875 HydrophobicContact CB-CB 4.11Å; A869-A875 WeakPolarHBondContact O-CB 3.29Å; A869-A875 PolarHBondContact O-N 2.63Å; A869-I878 HydrophobicContact CB-CG2 3.47Å; A869-I878 VanDerWaalsContact CB-CG2 3.47Å; A869-L925 HydrophobicContact CB-CB 4.41Å; A869-L925 HydrophobicContact CB-CD2 3.76Å
870	Q	98.2	Very high	98	Very high	81 Å²	81	39 Å²	39	38%	0.379	20%	0.203	S	C	.	.	I	π-helix	trans	-71.7	-54.3	179.8	-69.2	175.4	-26.9	0	0	111.6	R866 I868 G874 A875 E876	R866-Q870 HydrophobicContact CG-CG 4.22Å; R866-Q870 PolarHBondContact O-N 2.92Å; I868-Q870 PolarHBondContact O-N 3.39Å; Q870-G874 WeakPolarHBondContact O-CA 3.31Å; Q870-G874 PolarHBondContact O-N 3.27Å; Q870-A875 WeakPolarHBondContact CA-O 3.42Å; Q870-E876 PolarHBondContact NE2-O 3.28Å
871	K	98.1	Very high	98	Very high	100 Å²	100	36.7 Å²	36.7	44%	0.435	19%	0.188	S	C	.	.	I	π-helix	trans	-73.4	-42.1	-172.3	-60.7	-176.3	-174.9	171.3	0	113.1	K779 L786 L854 T867	K779-K871 PolarHBondContact NZ-O 3.37Å; L786-K871 HydrophobicContact CD1-CB 4.04Å; L854-K871 HydrophobicContact CD1-CB 4.18Å; L854-K871 HydrophobicContact CD1-CD 3.8Å; T867-K871 HydrophobicContact CG2-CD 3.8Å; T867-K871 HydrophobicContact CG2-CG 4.42Å; T867-K871 VanDerWaalsContact O-CB 3.24Å; T867-K871 WeakPolarHBondContact O-CB 3.4Å; T867-K871 WeakPolarHBondContact O-CG 3.46Å; T867-K871 PolarHBondContact O-N 3Å
872	V	98	Very high	97.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.223	C	C	.	.	I	π-helix	trans	-90.5	-45.7	-173.7	-172.1	0	0	0	0	111.7	D712 E716 K779 N783 L786 L854 I868	D712-V872 HydrophobicContact CB-CG1 4.07Å; E716-V872 HydrophobicContact CG-CG1 4.36Å; E716-V872 HydrophobicContact CG-CG2 4.11Å; K779-V872 WeakPolarHBondContact CE-O 3.26Å; K779-V872 PolarHBondContact NZ-O 3.38Å; N783-V872 PolarHBondContact ND2-O 3.39Å; N783-V872 PolarHBondContact OD1-O 2.93Å; L786-V872 HydrophobicContact CD1-CG2 4.47Å; L854-V872 HydrophobicContact CD2-CG2 3.52Å; I868-V872 HydrophobicContact CG2-CB 4.2Å; I868-V872 HydrophobicContact CG2-CG2 4.12Å; I868-V872 WeakPolarHBondContact O-CA 3.47Å; I868-V872 VanDerWaalsContact O-CB 3.27Å; I868-V872 WeakPolarHBondContact O-CB 3.23Å; I868-V872 PolarHBondContact O-N 3.37Å
873	Y	98	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-90.8	-22.7	-175.5	-49.1	-34	0	0	0	114.1	D712 I868 A869 M903 K905 L910 L925	D712-Y873 HydrophobicContact CB-CD1 4.18Å; D712-Y873 HydrophobicContact CB-CE1 4.09Å; D712-Y873 VanDerWaalsContact O-CE1 3.3Å; D712-Y873 WeakPolarHBondContact O-CE1 3.29Å; I868-Y873 HydrophobicContact CG2-CE1 4.31Å; I868-Y873 HydrophobicContact CG2-CE2 3.78Å; I868-Y873 WeakPolarHBondContact CG2-OH 3.14Å; I868-Y873 PolarHBondContact O-N 3.04Å; A869-Y873 HydrophobicContact CB-CD2 4.49Å; A869-Y873 WeakPolarHBondContact O-CB 3.42Å; A869-Y873 PolarHBondContact O-N 3.25Å; Y873-M903 HydrophobicContact CE2-CB 4.39Å; Y873-M903 HydrophobicContact CE2-CE 4.3Å; Y873-M903 HydrophobicContact CE2-CG 4.22Å; Y873-M903 VanDerWaalsContact OH-CB 3.23Å; Y873-M903 WeakPolarHBondContact OH-CB 3.47Å; Y873-K905 HydrophobicContact CD1-CD 4.33Å; Y873-K905 HydrophobicContact CD2-CD 4.05Å; Y873-K905 HydrophobicContact CE1-CD 3.96Å; Y873-K905 HydrophobicContact CE2-CD 3.65Å; Y873-K905 HydrophobicContact CG-CD 4.41Å; Y873-L910 WeakPolarHBondContact CB-O 3.47Å; Y873-L925 HydrophobicContact CD2-CD2 3.97Å; Y873-L925 HydrophobicContact CE2-CD2 4.2Å
874	G	97.4	Very high	97.7	Very high	27 Å²	27	41.7 Å²	41.7	28%	0.278	22%	0.22	S	C	.	.			trans	75.9	25.9	-172.8	0	0	0	0	0	113.3	A869 Q870	A869-G874 PolarHBondContact O-N 3.24Å; A869-G874 VanDerWaalsContact O-N 3.14Å; Q870-G874 WeakPolarHBondContact O-CA 3.31Å; Q870-G874 PolarHBondContact O-N 3.27Å
875	A	98	Very high	97.6	Very high	7 Å²	7	43.9 Å²	43.9	6%	0.058	24%	0.236	C	C	.	.			trans	-68	152.1	168.1	0	0	0	0	0	110.3	A869 Q870 F923 L925	A869-A875 HydrophobicContact CB-CB 4.11Å; A869-A875 WeakPolarHBondContact O-CB 3.29Å; A869-A875 PolarHBondContact O-N 2.63Å; Q870-A875 WeakPolarHBondContact CA-O 3.42Å; A875-F923 CarbonylContact C-O 3.56Å; A875-F923 VanDerWaalsContact CA-O 3.32Å; A875-F923 WeakPolarHBondContact CA-O 3.34Å; A875-F923 HydrophobicContact CB-CD2 4.09Å; A875-F923 HydrophobicContact CB-CE2 3.56Å; A875-F923 HydrophobicContact CB-CZ 3.84Å; A875-L925 HydrophobicContact CB-CB 4.12Å
876	E	98	Very high	97.4	Very high	123 Å²	123	47.6 Å²	47.6	58%	0.575	26%	0.262	S	S	*	.	S	Bend	trans	-74.7	-48.6	174.2	-64.7	-179	140.1	0	0	110.6	Q870 F923	Q870-E876 PolarHBondContact NE2-O 3.28Å; E876-F923 PolarHBondContact N-O 3.24Å
877	D	97.9	Very high	97.2	Very high	56 Å²	56	47.8 Å²	47.8	30%	0.299	26%	0.264	S	S	.	.			trans	-152.6	-170.2	169.5	-155.6	-8.3	0	0	0	110.2	R866 V924 L925	R866-D877 IonicContact CZ-OD1 2.71Å; R866-D877 IonicContact CZ-OD2 3.49Å; R866-D877 IonicContact NE-OD1 2.71Å; R866-D877 PolarHBondContact NE-OD1 3.22Å; R866-D877 IonicContact NE-OD2 3.6Å; R866-D877 IonicContact NH2-OD1 3.12Å; R866-D877 PolarHBondContact NH2-OD1 3.32Å; R866-D877 IonicContact NH2-OD2 3.34Å; R866-D877 PolarHBondContact NH2-OD2 2.89Å; D877-V924 WeakPolarHBondContact O-CA 3.34Å; D877-L925 PolarHBondContact O-N 2.88Å
878	I	98.2	Very high	97.1	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.077	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.9	173.9	55.4	172.2	0	0	0	110.7	L862 I865 R866 A869 L925 I927	L862-I878 HydrophobicContact CD1-CD1 3.37Å; L862-I878 HydrophobicContact CG-CD1 4.2Å; I865-I878 HydrophobicContact CB-CD1 4.3Å; I865-I878 HydrophobicContact CG2-CD1 4.02Å; I865-I878 HydrophobicContact CG2-CG2 4.3Å; R866-I878 HydrophobicContact CB-CD1 3.88Å; R866-I878 HydrophobicContact CB-CG1 4.25Å; A869-I878 HydrophobicContact CB-CG2 3.47Å; A869-I878 VanDerWaalsContact CB-CG2 3.47Å; I878-L925 VanDerWaalsContact CA-O 3.29Å; I878-L925 WeakPolarHBondContact CA-O 3.28Å; I878-L925 HydrophobicContact CG2-CB 4.22Å; I878-L925 HydrophobicContact CG2-CD2 4.46Å; I878-I927 HydrophobicContact CB-CG1 4.19Å
879	D	97.5	Very high	97	Very high	96 Å²	96	51.3 Å²	51.3	51%	0.513	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.9	172.9	171.8	39.2	0	0	0	109	V924 L925 P926 I927	D879-V924 HydrophobicContact CB-CG1 3.68Å; D879-L925 PolarHBondContact N-O 3.35Å; D879-P926 CarbonylContact O-C 3.45Å; D879-I927 WeakPolarHBondContact O-CB 3.22Å; D879-I927 PolarHBondContact O-N 2.96Å
880	L	96.8	Very high	96.7	Very high	54 Å²	54	54.4 Å²	54.4	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.9	-175.6	-82.7	173.9	0	0	0	110.8	L862 A884 I888 I927	L862-L880 HydrophobicContact CD1-CD1 3.64Å; L862-L880 HydrophobicContact CD1-CD2 4.02Å; L862-L880 HydrophobicContact CD1-CG 4.01Å; L862-L880 HydrophobicContact CD2-CD1 4.16Å; L880-A884 HydrophobicContact CD2-CB 3.99Å; L880-I888 HydrophobicContact CD2-CD1 3.83Å; L880-I927 HydrophobicContact CD2-CB 4.18Å; L880-I927 HydrophobicContact CD2-CG2 4.25Å
881	S	96.9	Very high	96.5	Very high	29 Å²	29	51.9 Å²	51.9	20%	0.203	28%	0.282	C	S	.	.			trans	-67.9	153.5	161.7	87.1	0	0	0	0	110.9	E883 A884 S885 I927 R928	S881-E883 PolarHBondContact O-N 3.12Å; S881-E883 PolarHBondContact OG-N 2.85Å; S881-A884 WeakPolarHBondContact O-CB 3.01Å; S881-A884 PolarHBondContact O-N 3.1Å; S881-A884 VanDerWaalsContact O-N 3.13Å; S881-A884 WeakPolarHBondContact OG-CB 3.32Å; S881-A884 PolarHBondContact OG-N 3.48Å; S881-S885 PolarHBondContact O-N 3.2Å; S881-I927 PolarHBondContact N-O 2.65Å; S881-R928 WeakPolarHBondContact CB-O 3.49Å; S881-R928 PolarHBondContact OG-O 3.38Å
882	P	97.1	Very high	96.3	Very high	115 Å²	115	50.4 Å²	50.4	75%	0.747	28%	0.278	S	S	*	.	H	α-helix	trans	-58.2	-32.3	171.7	-26.1	35.5	0	0	0	113.3	S886	P882-S886 WeakPolarHBondContact O-CB 3.25Å; P882-S886 PolarHBondContact O-N 2.91Å
883	E	94.3	Very high	96	Very high	104 Å²	104	57.6 Å²	57.6	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-43	174.9	-177.4	177.4	-174.2	0	0	111.6	S881 S886 K887	S881-E883 PolarHBondContact O-N 3.12Å; S881-E883 PolarHBondContact OG-N 2.85Å; E883-S886 PolarHBondContact O-N 3.25Å; E883-K887 HydrophobicContact CG-CD 4.31Å; E883-K887 WeakPolarHBondContact O-CG 3.46Å; E883-K887 PolarHBondContact O-N 3.28Å; E883-K887 WeakPolarHBondContact OE1-CE 3.08Å; E883-K887 IonicContact OE1-NZ 2.63Å; E883-K887 PolarHBondContact OE1-NZ 3.49Å
884	A	95.7	Very high	95.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-43.5	176	0	0	0	0	0	111.8	L880 S881 K887 I888 I927 V930	L880-A884 HydrophobicContact CD2-CB 3.99Å; S881-A884 WeakPolarHBondContact O-CB 3.01Å; S881-A884 PolarHBondContact O-N 3.1Å; S881-A884 VanDerWaalsContact O-N 3.13Å; S881-A884 WeakPolarHBondContact OG-CB 3.32Å; S881-A884 PolarHBondContact OG-N 3.48Å; A884-K887 PolarHBondContact O-N 3.44Å; A884-I888 VanDerWaalsContact O-CG1 3.26Å; A884-I888 WeakPolarHBondContact O-CG1 3.28Å; A884-I888 PolarHBondContact O-N 3.38Å; A884-I927 HydrophobicContact CB-CG2 3.98Å; A884-I927 WeakPolarHBondContact CB-O 3.43Å; A884-V930 HydrophobicContact CB-CG2 3.87Å
885	S	96.8	Very high	95.4	Very high	47 Å²	47	60.7 Å²	60.7	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-51.2	175.8	-163	0	0	0	0	111.3	S881 K887 I888 D889	S881-S885 PolarHBondContact O-N 3.2Å; S885-K887 VanDerWaalsContact C-N 3.29Å; S885-K887 PolarHBondContact O-N 3.22Å; S885-I888 WeakPolarHBondContact O-CB 3.42Å; S885-I888 PolarHBondContact O-N 2.77Å; S885-D889 PolarHBondContact O-N 3.13Å
886	S	95.3	Very high	95.3	Very high	78 Å²	78	62.4 Å²	62.4	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-57.2	-40.3	179.6	-177.7	0	0	0	0	112.7	P882 E883 D889 Y890	P882-S886 WeakPolarHBondContact O-CB 3.25Å; P882-S886 PolarHBondContact O-N 2.91Å; E883-S886 PolarHBondContact O-N 3.25Å; S886-D889 PolarHBondContact O-N 3.23Å; S886-Y890 WeakPolarHBondContact O-CB 3.46Å; S886-Y890 PolarHBondContact O-N 2.82Å
887	K	94.6	Very high	95.2	Very high	56 Å²	56	57.3 Å²	57.3	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-73.6	-31.3	176.4	-68.4	179.9	-166.8	174.7	0	113.4	E883 A884 S885 Y891 D929 V930	E883-K887 HydrophobicContact CG-CD 4.31Å; E883-K887 WeakPolarHBondContact O-CG 3.46Å; E883-K887 PolarHBondContact O-N 3.28Å; E883-K887 WeakPolarHBondContact OE1-CE 3.08Å; E883-K887 IonicContact OE1-NZ 2.63Å; E883-K887 PolarHBondContact OE1-NZ 3.49Å; A884-K887 PolarHBondContact O-N 3.44Å; S885-K887 VanDerWaalsContact C-N 3.29Å; S885-K887 PolarHBondContact O-N 3.22Å; K887-Y891 HydrophobicContact CB-CE2 4.25Å; K887-Y891 WeakPolarHBondContact O-CB 3.4Å; K887-Y891 WeakPolarHBondContact O-CD2 3.19Å; K887-Y891 VanDerWaalsContact O-CG 3.26Å; K887-Y891 PolarHBondContact O-N 3.41Å; K887-D929 WeakPolarHBondContact CD-OD1 3.24Å; K887-D929 IonicContact NZ-OD1 2.65Å; K887-D929 PolarHBondContact NZ-OD1 2.98Å; K887-D929 IonicContact NZ-OD2 2.62Å; K887-V930 HydrophobicContact CB-CB 4.4Å; K887-V930 WeakPolarHBondContact CD-O 3.42Å
888	I	96.6	Very high	95.1	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.046	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-46.7	169.9	-74.2	167.9	0	0	0	110	I861 L862 I865 L880 A884 S885 Y891 N892 V930	I861-I888 HydrophobicContact CB-CG2 4.08Å; I861-I888 HydrophobicContact CD1-CG2 4.28Å; I861-I888 HydrophobicContact CG2-CD1 4.35Å; I861-I888 HydrophobicContact CG2-CG1 3.93Å; I861-I888 HydrophobicContact CG2-CG2 4.3Å; L862-I888 HydrophobicContact CD1-CD1 4.42Å; I865-I888 HydrophobicContact CD1-CD1 4.21Å; L880-I888 HydrophobicContact CD2-CD1 3.83Å; A884-I888 VanDerWaalsContact O-CG1 3.26Å; A884-I888 WeakPolarHBondContact O-CG1 3.28Å; A884-I888 PolarHBondContact O-N 3.38Å; S885-I888 WeakPolarHBondContact O-CB 3.42Å; S885-I888 PolarHBondContact O-N 2.77Å; I888-Y891 PolarHBondContact O-N 2.62Å; I888-N892 VanDerWaalsContact O-CG 3.31Å; I888-N892 PolarHBondContact O-N 2.91Å; I888-N892 PolarHBondContact O-ND2 3.49Å; I888-N892 VanDerWaalsContact O-ND2 3.14Å; I888-V930 HydrophobicContact CD1-CG2 4.22Å; I888-V930 HydrophobicContact CG1-CB 4.47Å; I888-V930 HydrophobicContact CG1-CG1 4.3Å; I888-V930 HydrophobicContact CG1-CG2 4.11Å
889	D	95	Very high	95.1	Very high	80 Å²	80	57.6 Å²	57.6	43%	0.428	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-41.7	178.5	-65.2	-37.7	0	0	0	111.8	S885 S886 N892 Q893	S885-D889 PolarHBondContact O-N 3.13Å; S886-D889 PolarHBondContact O-N 3.23Å; D889-N892 PolarHBondContact O-N 2.72Å; D889-Q893 VanDerWaalsContact O-CG 3.29Å; D889-Q893 WeakPolarHBondContact O-CG 3.46Å; D889-Q893 PolarHBondContact O-N 2.86Å
890	Y	91.6	Very high	95.2	Very high	64 Å²	64	53.8 Å²	53.8	25%	0.251	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-48.9	171.8	-176.7	-112.1	0	0	0	112	S631 G635 S886 N892 Q893 Q894	S631-Y890 PolarHBondContact OG-OH 3.05Å; G635-Y890 PolarHBondContact O-OH 3.18Å; S886-Y890 WeakPolarHBondContact O-CB 3.46Å; S886-Y890 PolarHBondContact O-N 2.82Å; Y890-N892 VanDerWaalsContact C-N 3.27Å; Y890-N892 PolarHBondContact O-N 2.76Å; Y890-Q893 WeakPolarHBondContact O-CB 3.31Å; Y890-Q893 PolarHBondContact O-N 3.14Å; Y890-Q893 VanDerWaalsContact O-N 3.14Å; Y890-Q894 HydrophobicContact CD1-CG 4.16Å; Y890-Q894 HydrophobicContact CD2-CG 4.16Å; Y890-Q894 HydrophobicContact CE1-CG 3.85Å; Y890-Q894 HydrophobicContact CE2-CG 3.83Å; Y890-Q894 HydrophobicContact CG-CG 4.31Å; Y890-Q894 WeakPolarHBondContact O-CB 3.5Å; Y890-Q894 VanDerWaalsContact O-CG 3.23Å; Y890-Q894 WeakPolarHBondContact O-CG 3.23Å; Y890-Q894 PolarHBondContact O-N 3.47Å
891	Y	94.6	Very high	95.2	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-25.4	179.1	-64.9	-37.5	0	0	0	113.7	K887 I888 Y896 G897 V930 R931 A932 I939	K887-Y891 HydrophobicContact CB-CE2 4.25Å; K887-Y891 WeakPolarHBondContact O-CB 3.4Å; K887-Y891 WeakPolarHBondContact O-CD2 3.19Å; K887-Y891 VanDerWaalsContact O-CG 3.26Å; K887-Y891 PolarHBondContact O-N 3.41Å; I888-Y891 PolarHBondContact O-N 2.62Å; Y891-Y896 HydrophobicContact CD1-CD2 4.07Å; Y891-Y896 CarbonylContact O-C 3.51Å; Y891-Y896 WeakPolarHBondContact O-CA 3.39Å; Y891-Y896 WeakPolarHBondContact O-CB 3.37Å; Y891-Y896 PolarHBondContact O-N 2.8Å; Y891-G897 PolarHBondContact O-N 2.95Å; Y891-V930 HydrophobicContact CD2-CG1 4.23Å; Y891-V930 HydrophobicContact CE2-CG1 4.16Å; Y891-R931 WeakPolarHBondContact OH-CA 3.38Å; Y891-A932 HydrophobicContact CD1-CB 4.17Å; Y891-A932 HydrophobicContact CD2-CB 4.44Å; Y891-A932 HydrophobicContact CE1-CB 3.76Å; Y891-A932 HydrophobicContact CE2-CB 4.04Å; Y891-A932 PolarHBondContact OH-N 2.79Å; Y891-I939 HydrophobicContact CD2-CD1 4.36Å; Y891-I939 HydrophobicContact CG-CD1 4.45Å
892	N	94.3	Very high	95.3	Very high	69 Å²	69	49.8 Å²	49.8	37%	0.369	28%	0.282	S	S	.	.	H	α-helix	trans	-69.1	-47.1	168	-71.1	-38.5	0	0	0	111.5	I861 I888 D889 Y890 Q894 G895	I861-N892 VanDerWaalsContact CD1-OD1 3.31Å; I861-N892 WeakPolarHBondContact CD1-OD1 3.44Å; I888-N892 VanDerWaalsContact O-CG 3.31Å; I888-N892 PolarHBondContact O-N 2.91Å; I888-N892 PolarHBondContact O-ND2 3.49Å; I888-N892 VanDerWaalsContact O-ND2 3.14Å; D889-N892 PolarHBondContact O-N 2.72Å; Y890-N892 VanDerWaalsContact C-N 3.27Å; Y890-N892 PolarHBondContact O-N 2.76Å; N892-Q894 VanDerWaalsContact C-N 3.29Å; N892-Q894 PolarHBondContact O-N 2.72Å; N892-G895 PolarHBondContact O-N 3.03Å
893	Q	91.4	Very high	95.3	Very high	153 Å²	153	44.3 Å²	44.3	72%	0.715	25%	0.247	S	C	*	.	H	α-helix	trans	-59.8	-38.4	176.7	-69.2	165.1	19.2	0	0	112.2	D889 Y890 G895	D889-Q893 VanDerWaalsContact O-CG 3.29Å; D889-Q893 WeakPolarHBondContact O-CG 3.46Å; D889-Q893 PolarHBondContact O-N 2.86Å; Y890-Q893 WeakPolarHBondContact O-CB 3.31Å; Y890-Q893 PolarHBondContact O-N 3.14Å; Y890-Q893 VanDerWaalsContact O-N 3.14Å; Q893-G895 PolarHBondContact O-N 3.01Å
894	Q	89.3	Confident	95.3	Very high	37 Å²	37	39.4 Å²	39.4	17%	0.173	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.9	176.5	-64.4	-63.3	-35	0	0	114.1	G635 Y890 N892 Y896	G635-Q894 PolarHBondContact O-NE2 2.88Å; Y890-Q894 HydrophobicContact CD1-CG 4.16Å; Y890-Q894 HydrophobicContact CD2-CG 4.16Å; Y890-Q894 HydrophobicContact CE1-CG 3.85Å; Y890-Q894 HydrophobicContact CE2-CG 3.83Å; Y890-Q894 HydrophobicContact CG-CG 4.31Å; Y890-Q894 WeakPolarHBondContact O-CB 3.5Å; Y890-Q894 VanDerWaalsContact O-CG 3.23Å; Y890-Q894 WeakPolarHBondContact O-CG 3.23Å; Y890-Q894 PolarHBondContact O-N 3.47Å; N892-Q894 VanDerWaalsContact C-N 3.29Å; N892-Q894 PolarHBondContact O-N 2.72Å; Q894-Y896 VanDerWaalsContact C-N 3.25Å; Q894-Y896 HydrophobicContact CB-CD2 3.72Å; Q894-Y896 HydrophobicContact CB-CE2 3.62Å; Q894-Y896 HydrophobicContact CB-CG 4.39Å; Q894-Y896 HydrophobicContact CG-CE2 4.46Å; Q894-Y896 WeakPolarHBondContact O-CE1 3.48Å; Q894-Y896 PolarHBondContact O-N 3.44Å
895	G	93.1	Very high	95.2	Very high	55 Å²	55	39.4 Å²	39.4	57%	0.567	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	7.7	177.9	0	0	0	0	0	115.2	N892 Q893 G897	N892-G895 PolarHBondContact O-N 3.03Å; Q893-G895 PolarHBondContact O-N 3.01Å; G895-G897 VanDerWaalsContact C-N 3.26Å; G895-G897 PolarHBondContact O-N 3.27Å
896	Y	95.6	Very high	95.1	Very high	42 Å²	42	38.4 Å²	38.4	17%	0.165	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-85.6	4.2	179	-52.5	-35.7	0	0	0	113.4	Y891 Q894 S898 L899 V934	Y891-Y896 HydrophobicContact CD1-CD2 4.07Å; Y891-Y896 CarbonylContact O-C 3.51Å; Y891-Y896 WeakPolarHBondContact O-CA 3.39Å; Y891-Y896 WeakPolarHBondContact O-CB 3.37Å; Y891-Y896 PolarHBondContact O-N 2.8Å; Q894-Y896 VanDerWaalsContact C-N 3.25Å; Q894-Y896 HydrophobicContact CB-CD2 3.72Å; Q894-Y896 HydrophobicContact CB-CE2 3.62Å; Q894-Y896 HydrophobicContact CB-CG 4.39Å; Q894-Y896 HydrophobicContact CG-CE2 4.46Å; Q894-Y896 WeakPolarHBondContact O-CE1 3.48Å; Q894-Y896 PolarHBondContact O-N 3.44Å; Y896-S898 PolarHBondContact O-N 3Å; Y896-S898 VanDerWaalsContact O-N 3.09Å; Y896-L899 HydrophobicContact CG-CD1 4.44Å; Y896-L899 WeakPolarHBondContact O-CB 3.21Å; Y896-L899 WeakPolarHBondContact O-CG 3.41Å; Y896-L899 PolarHBondContact O-N 3.07Å; Y896-V934 HydrophobicContact CD1-CG1 4.08Å; Y896-V934 HydrophobicContact CD2-CG2 3.9Å; Y896-V934 HydrophobicContact CE1-CG1 3.61Å; Y896-V934 HydrophobicContact CE1-CG2 4.41Å; Y896-V934 HydrophobicContact CE2-CG1 4.32Å; Y896-V934 HydrophobicContact CE2-CG2 3.7Å; Y896-V934 HydrophobicContact CG-CG2 4.35Å
897	G	96.3	Very high	95	Very high	16 Å²	16	37.1 Å²	37.1	17%	0.165	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.5	-31	-178.9	0	0	0	0	0	115.2	K864 Y891 G895	K864-G897 PolarHBondContact NZ-O 3.46Å; Y891-G897 PolarHBondContact O-N 2.95Å; G895-G897 VanDerWaalsContact C-N 3.26Å; G895-G897 PolarHBondContact O-N 3.27Å
898	S	96.9	Very high	95	Very high	48 Å²	48	37 Å²	37	34%	0.336	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-80.7	-11.1	-179.9	59	0	0	0	0	114.7	T857 K864 Y896	T857-S898 WeakPolarHBondContact CB-O 3.5Å; T857-S898 WeakPolarHBondContact CG2-O 3.27Å; T857-S898 WeakPolarHBondContact O-CA 3.28Å; K864-S898 PolarHBondContact NZ-O 2.77Å; Y896-S898 PolarHBondContact O-N 3Å; Y896-S898 VanDerWaalsContact O-N 3.09Å
899	L	98.1	Very high	94.9	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.157	20%	0.201	C	C	.	.	S	Bend	trans	-60.5	145	-176.5	-67.5	-174	0	0	0	112.8	K864 Y896 I939	K864-L899 PolarHBondContact NZ-O 2.91Å; Y896-L899 HydrophobicContact CG-CD1 4.44Å; Y896-L899 WeakPolarHBondContact O-CB 3.21Å; Y896-L899 WeakPolarHBondContact O-CG 3.41Å; Y896-L899 PolarHBondContact O-N 3.07Å; L899-I939 HydrophobicContact CB-CD1 4.27Å; L899-I939 HydrophobicContact CB-CG1 4.1Å; L899-I939 HydrophobicContact CD1-CG1 4.17Å
900	P	98.2	Very high	95	Very high	15 Å²	15	32.8 Å²	32.8	10%	0.097	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-57.8	157.7	168.2	-26.7	35.1	0	0	0	113.7	I721 T857 G937 F938 I939	I721-P900 HydrophobicContact CG1-CB 4.14Å; T857-P900 HydrophobicContact CG2-CG 4.46Å; P900-G937 WeakPolarHBondContact CD-O 3.2Å; P900-F938 WeakPolarHBondContact O-CA 3.5Å; P900-F938 WeakPolarHBondContact O-CB 3.39Å; P900-I939 PolarHBondContact O-N 3.34Å
901	I	98.3	Very high	95.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-102.1	134.7	179.7	-55.7	-55.6	0	0	0	110.6	Y855 I861 K864 I865 I868 M903 I939 P941	Y855-I901 PolarHBondContact OH-N 2.78Å; Y855-I901 PolarHBondContact OH-O 3.39Å; I861-I901 HydrophobicContact CG2-CD1 4.02Å; K864-I901 HydrophobicContact CB-CD1 4.29Å; K864-I901 HydrophobicContact CB-CG1 3.46Å; K864-I901 VanDerWaalsContact CB-CG1 3.46Å; K864-I901 HydrophobicContact CD-CG1 4.35Å; K864-I901 HydrophobicContact CG-CG1 4.5Å; I865-I901 HydrophobicContact CG1-CD1 4.19Å; I865-I901 HydrophobicContact CG1-CG1 4.24Å; I865-I901 HydrophobicContact CG1-CG2 3.98Å; I868-I901 HydrophobicContact CD1-CB 3.75Å; I868-I901 HydrophobicContact CD1-CG2 3.75Å; I901-M903 HydrophobicContact CG2-CG 4.12Å; I901-M903 HydrophobicContact CG2-SD 3.7Å; I901-I939 CarbonylContact C-O 3.6Å; I901-I939 WeakPolarHBondContact CA-O 3.43Å; I901-I939 HydrophobicContact CD1-CB 4.15Å; I901-I939 HydrophobicContact CD1-CG2 4.29Å; I901-P941 HydrophobicContact CG2-CG 3.82Å
902	C	97.7	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.			trans	-120.1	89.2	177.1	179	0	0	0	0	109.7	I680 A681 K717 I721 A904 F938 I939 F940	I680-C902 VanDerWaalsContact C-SG 3.59Å; I680-C902 PolarHBondContact O-SG 3.3Å; A681-C902 WeakPolarHBondContact CA-SG 3.37Å; A681-C902 PolarHBondContact O-SG 2.91Å; A681-C902 VanDerWaalsContact O-SG 3.41Å; K717-C902 PolarHBondContact NZ-SG 3.07Å; K717-C902 VanDerWaalsContact NZ-SG 3.43Å; I721-C902 HydrophobicContact CD1-CB 3.67Å; C902-A904 PolarHBondContact O-N 3.07Å; C902-F938 HydrophobicContact CB-CB 4.4Å; C902-F938 HydrophobicContact CB-CD2 3.57Å; C902-F938 HydrophobicContact CB-CE2 4.07Å; C902-F938 HydrophobicContact CB-CG 4.08Å; C902-I939 PolarHBondContact N-O 3.31Å; C902-F940 HydrophobicContact CB-CB 3.99Å; C902-F940 VanDerWaalsContact O-CA 3.22Å; C902-F940 WeakPolarHBondContact O-CA 3.16Å; C902-F940 WeakPolarHBondContact O-CB 3.25Å
903	M	97	Very high	95.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.			trans	-65.5	120	-174.2	-68	-59.5	-71.4	0	0	113.1	K717 I865 I868 Y873 I901 L925 I927 P941 V943	K717-M903 WeakPolarHBondContact CE-O 3.49Å; K717-M903 PolarHBondContact NZ-O 3.19Å; I865-M903 HydrophobicContact CG2-CE 4.08Å; I865-M903 HydrophobicContact CG2-SD 4.02Å; I868-M903 HydrophobicContact CB-CG 4.35Å; I868-M903 HydrophobicContact CD1-CG 3.97Å; I868-M903 HydrophobicContact CG2-CG 3.88Å; Y873-M903 HydrophobicContact CE2-CB 4.39Å; Y873-M903 HydrophobicContact CE2-CE 4.3Å; Y873-M903 HydrophobicContact CE2-CG 4.22Å; Y873-M903 VanDerWaalsContact OH-CB 3.23Å; Y873-M903 WeakPolarHBondContact OH-CB 3.47Å; I901-M903 HydrophobicContact CG2-CG 4.12Å; I901-M903 HydrophobicContact CG2-SD 3.7Å; M903-L925 HydrophobicContact CE-CD2 3.63Å; M903-I927 HydrophobicContact CE-CD1 3.91Å; M903-P941 HydrophobicContact SD-CB 4.07Å; M903-P941 HydrophobicContact SD-CG 3.74Å; M903-V943 HydrophobicContact CE-CG2 3.73Å
904	A	95.4	Very high	95.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-99.8	87.8	177.6	0	0	0	0	0	110.8	N679 I680 C902 P941 L942 V943 M946	N679-A904 WeakPolarHBondContact O-CA 3.46Å; N679-A904 WeakPolarHBondContact O-CB 3.45Å; I680-A904 HydrophobicContact CG2-CB 4.31Å; C902-A904 PolarHBondContact O-N 3.07Å; A904-P941 WeakPolarHBondContact CB-O 3.47Å; A904-P941 PolarHBondContact N-O 3.26Å; A904-L942 HydrophobicContact CB-CD2 3.79Å; A904-L942 HydrophobicContact CB-CG 4.49Å; A904-V943 PolarHBondContact O-N 3.01Å; A904-M946 HydrophobicContact CB-CG 4.49Å
905	K	94.3	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.			trans	-126.6	173.2	-178.2	73.3	174.1	-157.5	72.4	0	112.4	D712 I713 Y873 S909 L910 V943	D712-K905 WeakPolarHBondContact OD2-CE 3.32Å; D712-K905 IonicContact OD2-NZ 2.7Å; D712-K905 PolarHBondContact OD2-NZ 3.37Å; D712-K905 VanDerWaalsContact OD2-NZ 3.13Å; I713-K905 HydrophobicContact CD1-CG 3.9Å; I713-K905 HydrophobicContact CG1-CG 4.38Å; Y873-K905 HydrophobicContact CD1-CD 4.33Å; Y873-K905 HydrophobicContact CD2-CD 4.05Å; Y873-K905 HydrophobicContact CE1-CD 3.96Å; Y873-K905 HydrophobicContact CE2-CD 3.65Å; Y873-K905 HydrophobicContact CG-CD 4.41Å; K905-S909 PolarHBondContact NZ-O 3.47Å; K905-L910 VanDerWaalsContact CE-O 3.27Å; K905-L910 WeakPolarHBondContact CE-O 3.27Å; K905-L910 PolarHBondContact NZ-O 2.83Å; K905-V943 HydrophobicContact CB-CB 3.81Å; K905-V943 HydrophobicContact CB-CG1 4.08Å; K905-V943 HydrophobicContact CB-CG2 3.9Å
906	T	93.6	Very high	95.6	Very high	26 Å²	26	32.5 Å²	32.5	16%	0.16	17%	0.172	C	C	.	.			trans	-63.9	140.4	172	-175.2	0	0	0	0	111.3	L908 H912 P914	T906-L908 PolarHBondContact OG1-N 3.47Å; T906-H912 WeakPolarHBondContact CG2-O 3.4Å; T906-P914 HydrophobicContact CG2-CB 4.48Å
907	H	92.8	Very high	95.6	Very high	52 Å²	52	32.6 Å²	32.6	24%	0.241	17%	0.173	C	C	.	.	S	Bend	trans	-89.6	-0.4	177.1	58.2	-97.3	0	0	0	113.5	T416 P417 F709 I713	T416-H907 WeakPolarHBondContact CG2-O 3.45Å; P417-H907 VanDerWaalsContact CD-O 3.22Å; P417-H907 WeakPolarHBondContact CD-O 3.32Å; F709-H907 HydrophobicContact CB-CB 3.85Å; F709-H907 HydrophobicContact CD1-CB 3.47Å; F709-H907 VanDerWaalsContact CD1-CB 3.47Å; F709-H907 AromaticContact CD1-CD2 3.85Å; F709-H907 AromaticContact CD1-CG 3.47Å; F709-H907 VanDerWaalsContact CD1-CG 3.47Å; F709-H907 AromaticContact CD1-ND1 3.93Å; F709-H907 HydrophobicContact CD2-CB 3.75Å; F709-H907 HydrophobicContact CE1-CB 3.88Å; F709-H907 AromaticContact CE1-CD2 3.85Å; F709-H907 AromaticContact CE1-CE1 3.79Å; F709-H907 AromaticContact CE1-CG 3.44Å; F709-H907 VanDerWaalsContact CE1-CG 3.44Å; F709-H907 AromaticContact CE1-ND1 3.4Å; F709-H907 WeakPolarHBondContact CE1-ND1 3.19Å; F709-H907 HydrophobicContact CE2-CB 4.12Å; F709-H907 HydrophobicContact CG-CB 3.41Å; F709-H907 VanDerWaalsContact CG-CB 3.41Å; F709-H907 AromaticContact CG-CG 3.96Å; F709-H907 HydrophobicContact CZ-CB 4.19Å; F709-H907 AromaticContact CZ-CG 3.88Å; F709-H907 AromaticContact CZ-ND1 3.48Å; F709-H907 WeakPolarHBondContact CZ-ND1 3.4Å; I713-H907 HydrophobicContact CD1-CB 4.02Å
908	L	94.3	Very high	95.6	Very high	53 Å²	53	32 Å²	32	28%	0.277	17%	0.168	S	C	.	.	S	Bend	trans	-94	-4.1	-173.1	-62.5	172.8	0	0	0	114.1	T906 P914 K917	T906-L908 PolarHBondContact OG1-N 3.47Å; L908-P914 HydrophobicContact CB-CB 3.91Å; L908-P914 HydrophobicContact CD1-CB 3.96Å; L908-K917 PolarHBondContact O-NZ 3.49Å
909	S	96	Very high	95.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.165	C	C	.	.	S	Bend	trans	-151.1	159	178.5	-179.8	0	0	0	0	108.8	K905 S911 M913 K916	K905-S909 PolarHBondContact NZ-O 3.47Å; S909-S911 VanDerWaalsContact C-N 3.26Å; S909-S911 PolarHBondContact OG-N 2.97Å; S909-S911 PolarHBondContact OG-OG 3.26Å; S909-M913 WeakPolarHBondContact CB-O 3.46Å; S909-M913 PolarHBondContact OG-O 2.96Å; S909-K916 VanDerWaalsContact CB-O 3.25Å; S909-K916 WeakPolarHBondContact CB-O 3.39Å; S909-K916 PolarHBondContact OG-O 2.98Å
910	L	96.8	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-63.5	-36.2	162.8	-77.2	157.1	0	0	0	111	D712 K779 Y873 K905 T919	D712-L910 HydrophobicContact CB-CD2 3.52Å; K779-L910 HydrophobicContact CB-CD1 4.24Å; K779-L910 HydrophobicContact CG-CD1 3.71Å; K779-L910 HydrophobicContact CG-CD2 4.39Å; Y873-L910 WeakPolarHBondContact CB-O 3.47Å; K905-L910 VanDerWaalsContact CE-O 3.27Å; K905-L910 WeakPolarHBondContact CE-O 3.27Å; K905-L910 PolarHBondContact NZ-O 2.83Å; L910-T919 HydrophobicContact CD1-CG2 4.14Å
911	S	96.3	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-76.6	-170.8	179.1	77.4	0	0	0	0	113.2	S909 M913	S909-S911 VanDerWaalsContact C-N 3.26Å; S909-S911 PolarHBondContact OG-N 2.97Å; S909-S911 PolarHBondContact OG-OG 3.26Å; S911-M913 PolarHBondContact OG-N 2.92Å; S911-M913 PolarHBondContact OG-O 2.83Å
912	H	94.9	Very high	95.3	Very high	61 Å²	61	38.8 Å²	38.8	28%	0.282	22%	0.219	S	C	.	.	S	Bend	trans	-82.9	-12.1	168.8	66.2	-97.2	0	0	0	113.8	T906 V924 L925 P926 V943	T906-H912 WeakPolarHBondContact CG2-O 3.4Å; H912-V924 PolarHBondContact CE1-O 3.13Å; H912-V924 VanDerWaalsContact CE1-O 3.25Å; H912-V924 PolarHBondContact ND1-O 2.86Å; H912-L925 HydrophobicContact CB-CD1 4.03Å; H912-P926 HydrophobicContact CB-CG 4.49Å; H912-P926 VanDerWaalsContact ND1-CD 3.29Å; H912-P926 WeakPolarHBondContact ND1-CD 3.48Å; H912-V943 HydrophobicContact CB-CG1 3.45Å; H912-V943 VanDerWaalsContact CB-CG1 3.45Å
913	M	95.1	Very high	95.3	Very high	60 Å²	60	39.2 Å²	39.2	30%	0.296	22%	0.221	S	C	.	.			trans	-95.1	112.5	-176.9	-65.2	169.1	-86.9	0	0	110.4	S909 S911 D915 K916 F923	S909-M913 WeakPolarHBondContact CB-O 3.46Å; S909-M913 PolarHBondContact OG-O 2.96Å; S911-M913 PolarHBondContact OG-N 2.92Å; S911-M913 PolarHBondContact OG-O 2.83Å; M913-D915 PolarHBondContact O-N 3.15Å; M913-D915 VanDerWaalsContact O-N 3.17Å; M913-K916 HydrophobicContact CB-CB 4.16Å; M913-K916 HydrophobicContact CB-CG 3.62Å; M913-K916 HydrophobicContact CE-CG 4.09Å; M913-K916 HydrophobicContact CG-CG 4.35Å; M913-K916 PolarHBondContact O-N 2.5Å; M913-K916 HydrophobicContact SD-CG 3.81Å; M913-F923 HydrophobicContact CE-CB 4.1Å
914	P	92.6	Very high	95.3	Very high	47 Å²	47	42.3 Å²	42.3	31%	0.305	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.4	-171.3	25.2	-34.2	0	0	0	114.1	T906 L908 K917	T906-P914 HydrophobicContact CG2-CB 4.48Å; L908-P914 HydrophobicContact CB-CB 3.91Å; L908-P914 HydrophobicContact CD1-CB 3.96Å; P914-K917 PolarHBondContact O-NZ 3.48Å
915	D	93	Very high	95.5	Very high	114 Å²	114	42.3 Å²	42.3	61%	0.61	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.2	-175.7	-46.1	-64.4	0	0	0	113.2	M913 K917	M913-D915 PolarHBondContact O-N 3.15Å; M913-D915 VanDerWaalsContact O-N 3.17Å; D915-K917 PolarHBondContact O-N 3.33Å; D915-K917 VanDerWaalsContact O-N 3.1Å
916	K	94.9	Very high	95.6	Very high	118 Å²	118	43.3 Å²	43.3	51%	0.513	25%	0.246	S	C	.	.			trans	-80.8	92.1	179.2	-65.8	-65.4	-170.9	176.5	0	110.2	S909 M913 P920	S909-K916 VanDerWaalsContact CB-O 3.25Å; S909-K916 WeakPolarHBondContact CB-O 3.39Å; S909-K916 PolarHBondContact OG-O 2.98Å; M913-K916 HydrophobicContact CB-CB 4.16Å; M913-K916 HydrophobicContact CB-CG 3.62Å; M913-K916 HydrophobicContact CE-CG 4.09Å; M913-K916 HydrophobicContact CG-CG 4.35Å; M913-K916 PolarHBondContact O-N 2.5Å; M913-K916 HydrophobicContact SD-CG 3.81Å; K916-P920 HydrophobicContact CB-CB 4.33Å; K916-P920 HydrophobicContact CB-CG 3.72Å; K916-P920 WeakPolarHBondContact O-CG 3.39Å
917	K	95.8	Very high	95.8	Very high	43 Å²	43	42.1 Å²	42.1	19%	0.187	24%	0.239	C	C	.	.			trans	-79.7	177.2	179.7	-54.6	-47.4	-172.8	-164.3	0	112.9	M744 L908 P914 D915 T919	M744-K917 HydrophobicContact CG-CG 4.35Å; L908-K917 PolarHBondContact O-NZ 3.49Å; P914-K917 PolarHBondContact O-NZ 3.48Å; D915-K917 PolarHBondContact O-N 3.33Å; D915-K917 VanDerWaalsContact O-N 3.1Å; K917-T919 PolarHBondContact O-N 2.7Å
918	G	96.6	Very high	95.9	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	25%	0.252	C	S	.	.	S	Bend	trans	71.2	-126.2	-179	0	0	0	0	0	112	H745 S775 N776	H745-G918 PolarHBondContact ND1-N 2.69Å; H745-G918 VanDerWaalsContact ND1-N 3.19Å; H745-G918 WeakPolarHBondContact O-CA 3.49Å; S775-G918 WeakPolarHBondContact OG-CA 3.48Å; N776-G918 PolarHBondContact ND2-O 2.9Å
919	T	97.2	Very high	95.9	Very high	45 Å²	45	44.4 Å²	44.4	28%	0.276	24%	0.242	S	C	.	.			trans	-129	93.9	173.8	-60.3	0	0	0	0	109.2	S775 K779 L910 K917	S775-T919 PolarHBondContact O-OG1 3.18Å; S775-T919 VanDerWaalsContact O-OG1 3.13Å; K779-T919 HydrophobicContact CB-CG2 4.16Å; K779-T919 WeakPolarHBondContact CB-OG1 3.38Å; K779-T919 HydrophobicContact CD-CG2 4.5Å; K779-T919 HydrophobicContact CG-CG2 4Å; L910-T919 HydrophobicContact CD1-CG2 4.14Å; K917-T919 PolarHBondContact O-N 2.7Å
920	P	96.4	Very high	95.8	Very high	18 Å²	18	44.3 Å²	44.3	12%	0.117	24%	0.242	C	C	.	.			trans	-63	149	176.9	-21.6	35	0	0	0	111.5	K916 F923	K916-P920 HydrophobicContact CB-CB 4.33Å; K916-P920 HydrophobicContact CB-CG 3.72Å; K916-P920 WeakPolarHBondContact O-CG 3.39Å; P920-F923 HydrophobicContact CB-CD1 4.06Å; P920-F923 HydrophobicContact CB-CE1 4.1Å; P920-F923 WeakPolarHBondContact O-CE1 3.42Å
921	T	95.2	Very high	95.7	Very high	118 Å²	118	49.7 Å²	49.7	72%	0.724	26%	0.262	S	S	*	.			trans	-135.7	170	176.7	53.2	0	0	0	0	108.7	F923	T921-F923 PolarHBondContact O-N 3.22Å
922	G	95.5	Very high	95.6	Very high	53 Å²	53	50.7 Å²	50.7	55%	0.546	27%	0.27	S	S	.	.	S	Bend	trans	65.9	36.6	177	0	0	0	0	0	113.7
923	F	97.7	Very high	95.7	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.044	26%	0.261	C	S	.	.			trans	-131.6	136.8	-179.3	77.7	-88.4	0	0	0	112.2	A875 E876 M913 P920 T921 L925	A875-F923 CarbonylContact C-O 3.56Å; A875-F923 VanDerWaalsContact CA-O 3.32Å; A875-F923 WeakPolarHBondContact CA-O 3.34Å; A875-F923 HydrophobicContact CB-CD2 4.09Å; A875-F923 HydrophobicContact CB-CE2 3.56Å; A875-F923 HydrophobicContact CB-CZ 3.84Å; E876-F923 PolarHBondContact N-O 3.24Å; M913-F923 HydrophobicContact CE-CB 4.1Å; P920-F923 HydrophobicContact CB-CD1 4.06Å; P920-F923 HydrophobicContact CB-CE1 4.1Å; P920-F923 WeakPolarHBondContact O-CE1 3.42Å; T921-F923 PolarHBondContact O-N 3.22Å; F923-L925 HydrophobicContact CE2-CD1 4.1Å
924	V	97.9	Very high	95.8	Very high	65 Å²	65	46.4 Å²	46.4	39%	0.394	25%	0.252	S	S	.	.			trans	-88.8	143.3	166.5	-177.9	0	0	0	0	108.6	D877 D879 H912 P926	D877-V924 WeakPolarHBondContact O-CA 3.34Å; D879-V924 HydrophobicContact CB-CG1 3.68Å; H912-V924 PolarHBondContact CE1-O 3.13Å; H912-V924 VanDerWaalsContact CE1-O 3.25Å; H912-V924 PolarHBondContact ND1-O 2.86Å; V924-P926 WeakPolarHBondContact O-CD 3.34Å
925	L	97.6	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.8	-179	-170.9	83.5	0	0	0	110.6	A869 Y873 A875 D877 I878 D879 M903 H912 F923 I927 V943	A869-L925 HydrophobicContact CB-CB 4.41Å; A869-L925 HydrophobicContact CB-CD2 3.76Å; Y873-L925 HydrophobicContact CD2-CD2 3.97Å; Y873-L925 HydrophobicContact CE2-CD2 4.2Å; A875-L925 HydrophobicContact CB-CB 4.12Å; D877-L925 PolarHBondContact O-N 2.88Å; I878-L925 VanDerWaalsContact CA-O 3.29Å; I878-L925 WeakPolarHBondContact CA-O 3.28Å; I878-L925 HydrophobicContact CG2-CB 4.22Å; I878-L925 HydrophobicContact CG2-CD2 4.46Å; D879-L925 PolarHBondContact N-O 3.35Å; M903-L925 HydrophobicContact CE-CD2 3.63Å; H912-L925 HydrophobicContact CB-CD1 4.03Å; F923-L925 HydrophobicContact CE2-CD1 4.1Å; L925-I927 HydrophobicContact CD2-CD1 4.26Å; L925-V943 HydrophobicContact CD1-CG1 3.82Å; L925-V943 HydrophobicContact CD1-CG2 4.5Å; L925-V943 HydrophobicContact CD2-CG2 4.1Å; L925-V943 HydrophobicContact CG-CG1 4.12Å; L925-V943 HydrophobicContact CG-CG2 4.23Å
926	P	97.7	Very high	96.2	Very high	21 Å²	21	38.8 Å²	38.8	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.1	-179.4	29.8	-34.3	0	0	0	111.2	D879 H912 V924 V943	D879-P926 CarbonylContact O-C 3.45Å; H912-P926 HydrophobicContact CB-CG 4.49Å; H912-P926 VanDerWaalsContact ND1-CD 3.29Å; H912-P926 WeakPolarHBondContact ND1-CD 3.48Å; V924-P926 WeakPolarHBondContact O-CD 3.34Å; P926-V943 VanDerWaalsContact O-CA 3.26Å; P926-V943 WeakPolarHBondContact O-CA 3.2Å; P926-V943 WeakPolarHBondContact O-CG1 3.29Å
927	I	97.6	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	100.9	175.1	-51.1	-59.8	0	0	0	106.8	I865 I878 D879 L880 S881 A884 M903 L925 V930 P941 V943	I865-I927 HydrophobicContact CG2-CD1 3.67Å; I865-I927 HydrophobicContact CG2-CG1 4.09Å; I878-I927 HydrophobicContact CB-CG1 4.19Å; D879-I927 WeakPolarHBondContact O-CB 3.22Å; D879-I927 PolarHBondContact O-N 2.96Å; L880-I927 HydrophobicContact CD2-CB 4.18Å; L880-I927 HydrophobicContact CD2-CG2 4.25Å; S881-I927 PolarHBondContact N-O 2.65Å; A884-I927 HydrophobicContact CB-CG2 3.98Å; A884-I927 WeakPolarHBondContact CB-O 3.43Å; M903-I927 HydrophobicContact CE-CD1 3.91Å; L925-I927 HydrophobicContact CD2-CD1 4.26Å; I927-V930 HydrophobicContact CG2-CG2 3.82Å; I927-P941 HydrophobicContact CD1-CB 4.43Å; I927-P941 HydrophobicContact CG2-CB 3.96Å; I927-V943 HydrophobicContact CD1-CG2 4.16Å
928	R	95.3	Very high	96.5	Very high	139 Å²	139	32 Å²	32	53%	0.525	19%	0.185	S	C	.	.			trans	-86.6	-37	-168.5	-60.1	-176.4	179.2	-136.9	-7.5	113.3	S881 L942 V943	S881-R928 WeakPolarHBondContact CB-O 3.49Å; S881-R928 PolarHBondContact OG-O 3.38Å; R928-L942 WeakPolarHBondContact CB-O 3.47Å; R928-L942 PolarHBondContact N-O 2.77Å; R928-V943 PolarHBondContact NE-O 2.89Å
929	D	93.8	Very high	96.5	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.2	-177.4	178.4	20.7	0	0	0	107.6	K887 R931 L942	K887-D929 WeakPolarHBondContact CD-OD1 3.24Å; K887-D929 IonicContact NZ-OD1 2.65Å; K887-D929 PolarHBondContact NZ-OD1 2.98Å; K887-D929 IonicContact NZ-OD2 2.62Å; D929-R931 IonicContact OD2-CZ 2.86Å; D929-R931 VanDerWaalsContact OD2-CZ 3.25Å; D929-R931 IonicContact OD2-NE 2.7Å; D929-R931 PolarHBondContact OD2-NE 2.98Å; D929-R931 IonicContact OD2-NH2 3.97Å; D929-R931 PolarHBondContact OD2-NH2 3.11Å; D929-L942 HydrophobicContact CB-CB 4.17Å; D929-L942 HydrophobicContact CB-CD1 3.97Å; D929-L942 PolarHBondContact O-N 2.83Å; D929-L942 WeakPolarHBondContact OD2-CD1 3.45Å
930	V	94.4	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.9	177.5	-179.4	0	0	0	0	108.1	A884 K887 I888 Y891 I927 I939 P941	A884-V930 HydrophobicContact CB-CG2 3.87Å; K887-V930 HydrophobicContact CB-CB 4.4Å; K887-V930 WeakPolarHBondContact CD-O 3.42Å; I888-V930 HydrophobicContact CD1-CG2 4.22Å; I888-V930 HydrophobicContact CG1-CB 4.47Å; I888-V930 HydrophobicContact CG1-CG1 4.3Å; I888-V930 HydrophobicContact CG1-CG2 4.11Å; Y891-V930 HydrophobicContact CD2-CG1 4.23Å; Y891-V930 HydrophobicContact CE2-CG1 4.16Å; I927-V930 HydrophobicContact CG2-CG2 3.82Å; V930-I939 HydrophobicContact CG1-CG2 3.43Å; V930-I939 VanDerWaalsContact CG1-CG2 3.43Å; V930-P941 HydrophobicContact CG2-CB 4.26Å
931	R	93.6	Very high	96.4	Very high	112 Å²	112	29.9 Å²	29.9	42%	0.423	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.4	-178.8	-61.3	-175.6	-171.3	-164.2	-0.5	111	Y891 D929 I939 F940 L942	Y891-R931 WeakPolarHBondContact OH-CA 3.38Å; D929-R931 IonicContact OD2-CZ 2.86Å; D929-R931 VanDerWaalsContact OD2-CZ 3.25Å; D929-R931 IonicContact OD2-NE 2.7Å; D929-R931 PolarHBondContact OD2-NE 2.98Å; D929-R931 IonicContact OD2-NH2 3.97Å; D929-R931 PolarHBondContact OD2-NH2 3.11Å; R931-I939 CarbonylContact O-C 3.34Å; R931-I939 WeakPolarHBondContact O-CA 3.46Å; R931-I939 WeakPolarHBondContact O-CG2 3.4Å; R931-F940 HydrophobicContact CB-CD1 4.02Å; R931-F940 HydrophobicContact CB-CD2 4.04Å; R931-F940 HydrophobicContact CB-CE1 3.61Å; R931-F940 HydrophobicContact CB-CE2 3.65Å; R931-F940 HydrophobicContact CB-CG 4.23Å; R931-F940 HydrophobicContact CB-CZ 3.43Å; R931-F940 VanDerWaalsContact CB-CZ 3.43Å; R931-F940 HydrophobicContact CG-CE2 4.25Å; R931-F940 HydrophobicContact CG-CZ 4.3Å; R931-F940 PolarHBondContact N-O 2.86Å; R931-F940 VanDerWaalsContact N-O 3.12Å; R931-F940 WeakPolarHBondContact O-CD1 3.35Å; R931-F940 PolarHBondContact O-N 2.94Å; R931-L942 HydrophobicContact CG-CD1 4.28Å
932	A	94.3	Very high	96.4	Very high	21 Å²	21	25 Å²	25	17%	0.174	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.4	176.1	0	0	0	0	0	111.3	Y891 V934 I939	Y891-A932 HydrophobicContact CD1-CB 4.17Å; Y891-A932 HydrophobicContact CD2-CB 4.44Å; Y891-A932 HydrophobicContact CE1-CB 3.76Å; Y891-A932 HydrophobicContact CE2-CB 4.04Å; Y891-A932 PolarHBondContact OH-N 2.79Å; A932-V934 HydrophobicContact CB-CG2 3.87Å; A932-I939 HydrophobicContact CB-CG1 4.15Å
933	S	96.8	Very high	96.3	Very high	13 Å²	13	22.7 Å²	22.7	9%	0.091	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	88.3	162.2	-76	0	0	0	0	107	E606 A936 G937 F938 F940	E606-S933 VanDerWaalsContact CD-CA 3.5Å; E606-S933 VanDerWaalsContact CD-CB 3.42Å; E606-S933 VanDerWaalsContact OE1-CA 3.29Å; E606-S933 WeakPolarHBondContact OE1-CA 3.28Å; E606-S933 WeakPolarHBondContact OE1-CB 3.36Å; E606-S933 WeakPolarHBondContact OE2-CA 3.32Å; S933-A936 PolarHBondContact O-N 3.17Å; S933-G937 PolarHBondContact O-N 2.79Å; S933-F938 PolarHBondContact N-O 3.41Å; S933-F938 PolarHBondContact O-N 3.34Å; S933-F938 VanDerWaalsContact O-N 3.1Å; S933-F940 WeakPolarHBondContact OG-CE1 3.42Å
934	V	97.4	Very high	95.7	Very high	18 Å²	18	23.2 Å²	23.2	11%	0.109	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.9	-167.6	-179.5	0	0	0	0	112.3	E606 R626 V628 Y896 A932 G937	E606-V934 PolarHBondContact OE1-N 3.19Å; E606-V934 VanDerWaalsContact OE1-N 3.12Å; R626-V934 WeakPolarHBondContact O-CG1 3.45Å; V628-V934 HydrophobicContact CB-CG2 4.36Å; V628-V934 HydrophobicContact CG2-CB 4Å; V628-V934 HydrophobicContact CG2-CG1 4.12Å; V628-V934 HydrophobicContact CG2-CG2 3.97Å; Y896-V934 HydrophobicContact CD1-CG1 4.08Å; Y896-V934 HydrophobicContact CD2-CG2 3.9Å; Y896-V934 HydrophobicContact CE1-CG1 3.61Å; Y896-V934 HydrophobicContact CE1-CG2 4.41Å; Y896-V934 HydrophobicContact CE2-CG1 4.32Å; Y896-V934 HydrophobicContact CE2-CG2 3.7Å; Y896-V934 HydrophobicContact CG-CG2 4.35Å; A932-V934 HydrophobicContact CB-CG2 3.87Å; V934-G937 PolarHBondContact O-N 3.18Å
935	G	97.6	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-39.7	172.9	0	0	0	0	0	112.3	E606 R623 G937	E606-G935 VanDerWaalsContact OE1-CA 3.25Å; E606-G935 WeakPolarHBondContact OE1-CA 3.45Å; E606-G935 PolarHBondContact OE1-N 2.86Å; R623-G935 VanDerWaalsContact CB-O 3.22Å; R623-G935 WeakPolarHBondContact CB-O 3.42Å; R623-G935 WeakPolarHBondContact CG-O 3.44Å; R623-G935 VanDerWaalsContact O-CA 3.23Å; R623-G935 WeakPolarHBondContact O-CA 3.45Å; G935-G937 VanDerWaalsContact C-N 3.27Å; G935-G937 PolarHBondContact O-N 2.97Å
936	A	97.8	Very high	93.9	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.6	171.1	0	0	0	0	0	112.3	E606 A609 I610 L613 R623 S933 F938	E606-A936 HydrophobicContact CG-CB 4.05Å; E606-A936 PolarHBondContact OE1-N 2.87Å; A609-A936 HydrophobicContact CB-CB 3.79Å; I610-A936 HydrophobicContact CG1-CB 4.06Å; L613-A936 HydrophobicContact CD1-CB 4.44Å; L613-A936 WeakPolarHBondContact CD1-O 3.3Å; R623-A936 PolarHBondContact NH1-O 2.83Å; S933-A936 PolarHBondContact O-N 3.17Å; A936-F938 HydrophobicContact CB-CD1 4Å; A936-F938 HydrophobicContact CB-CE1 3.5Å; A936-F938 VanDerWaalsContact CB-CE1 3.5Å; A936-F938 HydrophobicContact CB-CZ 4.06Å
937	G	97.6	Very high	93.2	Very high	18 Å²	18	33 Å²	33	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	43.1	174.6	0	0	0	0	0	114.2	P900 S933 V934 G935	P900-G937 WeakPolarHBondContact CD-O 3.2Å; S933-G937 PolarHBondContact O-N 2.79Å; V934-G937 PolarHBondContact O-N 3.18Å; G935-G937 VanDerWaalsContact C-N 3.27Å; G935-G937 PolarHBondContact O-N 2.97Å
938	F	98.3	Very high	92.7	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.4	171.2	57.4	-101.7	0	0	0	113.3	A609 L613 I680 A681 I721 P900 C902 S933 A936 F940	A609-F938 HydrophobicContact CB-CE1 4.13Å; A609-F938 HydrophobicContact CB-CZ 4.09Å; L613-F938 HydrophobicContact CD1-CD1 4.04Å; L613-F938 HydrophobicContact CD1-CE1 3.97Å; I680-F938 WeakPolarHBondContact O-CE2 3.46Å; A681-F938 HydrophobicContact CB-CZ 3.8Å; I721-F938 HydrophobicContact CD1-CB 4.38Å; I721-F938 HydrophobicContact CD1-CG 4.45Å; I721-F938 HydrophobicContact CG2-CD1 4.12Å; P900-F938 WeakPolarHBondContact O-CA 3.5Å; P900-F938 WeakPolarHBondContact O-CB 3.39Å; C902-F938 HydrophobicContact CB-CB 4.4Å; C902-F938 HydrophobicContact CB-CD2 3.57Å; C902-F938 HydrophobicContact CB-CE2 4.07Å; C902-F938 HydrophobicContact CB-CG 4.08Å; S933-F938 PolarHBondContact N-O 3.41Å; S933-F938 PolarHBondContact O-N 3.34Å; S933-F938 VanDerWaalsContact O-N 3.1Å; A936-F938 HydrophobicContact CB-CD1 4Å; A936-F938 HydrophobicContact CB-CE1 3.5Å; A936-F938 VanDerWaalsContact CB-CE1 3.5Å; A936-F938 HydrophobicContact CB-CZ 4.06Å; F938-F940 HydrophobicContact CD2-CB 4.41Å; F938-F940 HydrophobicContact CD2-CD1 4.24Å; F938-F940 HydrophobicContact CE2-CB 4.46Å; F938-F940 AromaticContact CE2-CD1 3.99Å; F938-F940 HydrophobicContact CE2-CD1 3.99Å
939	I	97.4	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.5	169.9	-69.1	174.6	0	0	0	108.3	I861 Y891 L899 P900 I901 C902 V930 R931 A932	I861-I939 HydrophobicContact CD1-CD1 3.62Å; I861-I939 HydrophobicContact CG1-CD1 4.05Å; I861-I939 HydrophobicContact CG2-CG2 4.5Å; Y891-I939 HydrophobicContact CD2-CD1 4.36Å; Y891-I939 HydrophobicContact CG-CD1 4.45Å; L899-I939 HydrophobicContact CB-CD1 4.27Å; L899-I939 HydrophobicContact CB-CG1 4.1Å; L899-I939 HydrophobicContact CD1-CG1 4.17Å; P900-I939 PolarHBondContact O-N 3.34Å; I901-I939 CarbonylContact C-O 3.6Å; I901-I939 WeakPolarHBondContact CA-O 3.43Å; I901-I939 HydrophobicContact CD1-CB 4.15Å; I901-I939 HydrophobicContact CD1-CG2 4.29Å; C902-I939 PolarHBondContact N-O 3.31Å; V930-I939 HydrophobicContact CG1-CG2 3.43Å; V930-I939 VanDerWaalsContact CG1-CG2 3.43Å; R931-I939 CarbonylContact O-C 3.34Å; R931-I939 WeakPolarHBondContact O-CA 3.46Å; R931-I939 WeakPolarHBondContact O-CG2 3.4Å; A932-I939 HydrophobicContact CB-CG1 4.15Å
940	F	95.3	Very high	92.6	Very high	23 Å²	23	29.1 Å²	29.1	10%	0.101	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	103.2	-179.3	61.8	-79.9	0	0	0	112.5	I680 C902 R931 S933 F938	I680-F940 HydrophobicContact CB-CD2 4.09Å; I680-F940 HydrophobicContact CB-CE2 4.13Å; I680-F940 HydrophobicContact CG2-CD2 4.24Å; I680-F940 HydrophobicContact CG2-CE2 4.19Å; C902-F940 HydrophobicContact CB-CB 3.99Å; C902-F940 VanDerWaalsContact O-CA 3.22Å; C902-F940 WeakPolarHBondContact O-CA 3.16Å; C902-F940 WeakPolarHBondContact O-CB 3.25Å; R931-F940 HydrophobicContact CB-CD1 4.02Å; R931-F940 HydrophobicContact CB-CD2 4.04Å; R931-F940 HydrophobicContact CB-CE1 3.61Å; R931-F940 HydrophobicContact CB-CE2 3.65Å; R931-F940 HydrophobicContact CB-CG 4.23Å; R931-F940 HydrophobicContact CB-CZ 3.43Å; R931-F940 VanDerWaalsContact CB-CZ 3.43Å; R931-F940 HydrophobicContact CG-CE2 4.25Å; R931-F940 HydrophobicContact CG-CZ 4.3Å; R931-F940 PolarHBondContact N-O 2.86Å; R931-F940 VanDerWaalsContact N-O 3.12Å; R931-F940 WeakPolarHBondContact O-CD1 3.35Å; R931-F940 PolarHBondContact O-N 2.94Å; S933-F940 WeakPolarHBondContact OG-CE1 3.42Å; F938-F940 HydrophobicContact CD2-CB 4.41Å; F938-F940 HydrophobicContact CD2-CD1 4.24Å; F938-F940 HydrophobicContact CE2-CB 4.46Å; F938-F940 AromaticContact CE2-CD1 3.99Å; F938-F940 HydrophobicContact CE2-CD1 3.99Å
941	P	96.4	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.9	172.1	-14.9	29.8	0	0	0	111.7	I865 I901 M903 A904 I927 V930	I865-P941 HydrophobicContact CD1-CB 4.21Å; I865-P941 HydrophobicContact CD1-CG 3.55Å; I865-P941 HydrophobicContact CG1-CG 3.71Å; I901-P941 HydrophobicContact CG2-CG 3.82Å; M903-P941 HydrophobicContact SD-CB 4.07Å; M903-P941 HydrophobicContact SD-CG 3.74Å; A904-P941 WeakPolarHBondContact CB-O 3.47Å; A904-P941 PolarHBondContact N-O 3.26Å; I927-P941 HydrophobicContact CD1-CB 4.43Å; I927-P941 HydrophobicContact CG2-CB 3.96Å; V930-P941 HydrophobicContact CG2-CB 4.26Å
942	L	95.1	Very high	92.4	Very high	16 Å²	16	27.5 Å²	27.5	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109	178.9	-73.3	161.4	0	0	0	110.4	A904 R928 D929 R931 M946	A904-L942 HydrophobicContact CB-CD2 3.79Å; A904-L942 HydrophobicContact CB-CG 4.49Å; R928-L942 WeakPolarHBondContact CB-O 3.47Å; R928-L942 PolarHBondContact N-O 2.77Å; D929-L942 HydrophobicContact CB-CB 4.17Å; D929-L942 HydrophobicContact CB-CD1 3.97Å; D929-L942 PolarHBondContact O-N 2.83Å; D929-L942 WeakPolarHBondContact OD2-CD1 3.45Å; R931-L942 HydrophobicContact CG-CD1 4.28Å; L942-M946 HydrophobicContact CD2-CB 4.2Å; L942-M946 HydrophobicContact CD2-CG 4.01Å
943	V	93.8	Very high	92.2	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	18%	0.175	C	C	.	.	S	Bend	trans	-80.5	-28.3	179.8	173.5	0	0	0	0	112	M903 A904 K905 H912 L925 P926 I927 R928	M903-V943 HydrophobicContact CE-CG2 3.73Å; A904-V943 PolarHBondContact O-N 3.01Å; K905-V943 HydrophobicContact CB-CB 3.81Å; K905-V943 HydrophobicContact CB-CG1 4.08Å; K905-V943 HydrophobicContact CB-CG2 3.9Å; H912-V943 HydrophobicContact CB-CG1 3.45Å; H912-V943 VanDerWaalsContact CB-CG1 3.45Å; L925-V943 HydrophobicContact CD1-CG1 3.82Å; L925-V943 HydrophobicContact CD1-CG2 4.5Å; L925-V943 HydrophobicContact CD2-CG2 4.1Å; L925-V943 HydrophobicContact CG-CG1 4.12Å; L925-V943 HydrophobicContact CG-CG2 4.23Å; P926-V943 VanDerWaalsContact O-CA 3.26Å; P926-V943 WeakPolarHBondContact O-CA 3.2Å; P926-V943 WeakPolarHBondContact O-CG1 3.29Å; I927-V943 HydrophobicContact CD1-CG2 4.16Å; R928-V943 PolarHBondContact NE-O 2.89Å
944	G	85.2	Confident	91.9	Very high	21 Å²	21	35.3 Å²	35.3	22%	0.216	22%	0.215	C	C	.	.	S	Bend	trans	-153.6	178.7	179.6	0	0	0	0	0	111.3	M946	G944-M946 PolarHBondContact O-N 2.97Å
945	M	78.3	Confident	91.5	Very high	181 Å²	181	41.4 Å²	41.4	89%	0.892	24%	0.235	S	C	*	.			trans	-69.4	115.5	178.4	-61.8	-135.9	-62.4	0	0	110.6
946	M	79.4	Confident	91.1	Very high	45 Å²	45	41.7 Å²	41.7	22%	0.222	24%	0.238	C	C	.	.			trans	-105.7	122.4	175	-65.8	-63.4	144.4	0	0	109.1	N679 A904 L942 G944 T948	N679-M946 HydrophobicContact CB-SD 4.24Å; A904-M946 HydrophobicContact CB-CG 4.49Å; L942-M946 HydrophobicContact CD2-CB 4.2Å; L942-M946 HydrophobicContact CD2-CG 4.01Å; G944-M946 PolarHBondContact O-N 2.97Å; M946-T948 PolarHBondContact O-N 2.89Å
947	S	81.1	Confident	90.6	Very high	66 Å²	66	43 Å²	43	46%	0.462	25%	0.246	S	C	.	.			trans	-86.1	112.4	173.3	-161.6	0	0	0	0	109.7	R580 M949	R580-S947 PolarHBondContact NH2-OG 3.27Å; R580-S947 VanDerWaalsContact NH2-OG 3.09Å; S947-M949 PolarHBondContact OG-O 3.28Å; S947-M949 VanDerWaalsContact OG-O 3.08Å
948	T	88.9	Confident	90.3	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.209	26%	0.256	C	S	.	.	S	Bend	trans	-82	-15.5	177.6	43.2	0	0	0	0	113.4	D600 I601 I680 M946	D600-T948 WeakPolarHBondContact OD1-CB 3.25Å; D600-T948 PolarHBondContact OD1-OG1 3.39Å; I601-T948 WeakPolarHBondContact CG2-O 3.25Å; I601-T948 PolarHBondContact N-O 3.08Å; I680-T948 HydrophobicContact CD1-CG2 4.1Å; M946-T948 PolarHBondContact O-N 2.89Å
949	M	94.3	Very high	90	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-123.8	104.7	171.9	172.7	54.1	85.9	0	0	109.1	V572 D576 R580 F599 D600 I601 S947	V572-M949 HydrophobicContact CG1-CE 3.64Å; D576-M949 WeakPolarHBondContact O-CG 3.28Å; R580-M949 HydrophobicContact CG-CB 3.87Å; R580-M949 HydrophobicContact CG-CG 3.96Å; R580-M949 VanDerWaalsContact CZ-O 3.25Å; R580-M949 PolarHBondContact NE-O 2.95Å; R580-M949 PolarHBondContact NH2-O 3.33Å; F599-M949 HydrophobicContact CB-CE 4.03Å; F599-M949 WeakPolarHBondContact O-CB 3.47Å; D600-M949 WeakPolarHBondContact O-CE 3.33Å; I601-M949 HydrophobicContact CB-SD 4.44Å; S947-M949 PolarHBondContact OG-O 3.28Å; S947-M949 VanDerWaalsContact OG-O 3.08Å
950	P	91	Very high	89.6	Confident	37 Å²	37	57.7 Å²	57.7	24%	0.24	31%	0.306	C	S	.	.			trans	-62.3	171.3	176.4	-19.5	32.1	0	0	0	112.4	N575 I601	N575-P950 CarbonylContact C-O 3.59Å; N575-P950 HydrophobicContact CB-CB 4.23Å; I601-P950 HydrophobicContact CD1-CG 4.15Å
951	G	92.3	Very high	89.5	Confident	20 Å²	20	58.2 Å²	58.2	21%	0.206	31%	0.31	C	S	.	.			trans	-130.8	139.5	175.1	0	0	0	0	0	110.8	N575	N575-G951 WeakPolarHBondContact O-CA 3.2Å
952	L	91.8	Very high	89.4	Confident	58 Å²	58	63.7 Å²	63.7	30%	0.304	34%	0.339	S	S	.	.			trans	-51.3	141.8	170.4	-66.5	168.5	0	0	0	112	N575 R577 P956 F958	N575-L952 HydrophobicContact CB-CD2 4.23Å; N575-L952 HydrophobicContact CB-CG 4.28Å; N575-L952 PolarHBondContact O-N 3.04Å; R577-L952 PolarHBondContact NH2-O 3.31Å; L952-P956 HydrophobicContact CB-CG 4Å; L952-P956 HydrophobicContact CD2-CB 4.11Å; L952-P956 HydrophobicContact CD2-CG 4.21Å; L952-F958 HydrophobicContact CD1-CE1 3.87Å; L952-F958 HydrophobicContact CD2-CD1 4.44Å; L952-F958 HydrophobicContact CD2-CE1 4.02Å
953	P	90.6	Very high	89.4	Confident	47 Å²	47	67.5 Å²	67.5	31%	0.305	36%	0.359	S	S	.	.			trans	-77.3	177.2	173.4	34.3	-37	0	0	0	111.9	G457 V458 R955 P956	G457-P953 WeakPolarHBondContact O-CD 3.41Å; G457-P953 VanDerWaalsContact O-CG 3.31Å; G457-P953 WeakPolarHBondContact O-CG 3.37Å; V458-P953 HydrophobicContact CG2-CG 4.37Å; P953-R955 VanDerWaalsContact C-N 3.28Å; P953-R955 PolarHBondContact O-N 3.06Å; P953-P956 HydrophobicContact CG-CB 4.44Å; P953-P956 HydrophobicContact CG-CG 4.34Å; P953-P956 WeakPolarHBondContact O-CD 3.26Å; P953-P956 WeakPolarHBondContact O-CG 3.23Å
954	T	90.8	Very high	89.5	Confident	151 Å²	151	69.7 Å²	69.7	93%	0.926	37%	0.371	S	S	*	.	S	Bend	trans	-62.6	-32.6	179.4	-46.1	0	0	0	0	113.3
955	R	88.4	Confident	90	Very high	145 Å²	145	74.6 Å²	74.6	55%	0.547	40%	0.398	S	S	.	.	S	Bend	trans	-125.1	96.6	167.4	177.4	176	168	81.5	-2.9	108.6	P953 Y959 D960	P953-R955 VanDerWaalsContact C-N 3.28Å; P953-R955 PolarHBondContact O-N 3.06Å; R955-Y959 HydrophobicContact CG-CD2 4.27Å; R955-D960 IonicContact CZ-OD1 2.72Å; R955-D960 IonicContact CZ-OD2 3.49Å; R955-D960 IonicContact NE-OD2 3.83Å; R955-D960 IonicContact NH2-OD1 2.72Å; R955-D960 PolarHBondContact NH2-OD1 2.71Å; R955-D960 IonicContact NH2-OD2 3.52Å; R955-D960 PolarHBondContact NH2-OD2 3Å
956	P	90	Very high	90.9	Very high	7 Å²	7	74.8 Å²	74.8	5%	0.045	40%	0.397	C	S	.	.			trans	-71.2	155.7	172.9	-22.1	36.7	0	0	0	112.4	F456 G457 L952 P953 F958 Y959	F456-P956 WeakPolarHBondContact O-CB 3.29Å; G457-P956 WeakPolarHBondContact O-CA 3.21Å; L952-P956 HydrophobicContact CB-CG 4Å; L952-P956 HydrophobicContact CD2-CB 4.11Å; L952-P956 HydrophobicContact CD2-CG 4.21Å; P953-P956 HydrophobicContact CG-CB 4.44Å; P953-P956 HydrophobicContact CG-CG 4.34Å; P953-P956 WeakPolarHBondContact O-CD 3.26Å; P953-P956 WeakPolarHBondContact O-CG 3.23Å; P956-F958 HydrophobicContact CB-CD1 3.55Å; P956-F958 HydrophobicContact CB-CD2 4.45Å; P956-F958 HydrophobicContact CB-CE1 3.42Å; P956-F958 VanDerWaalsContact CB-CE1 3.42Å; P956-F958 HydrophobicContact CB-CE2 4.31Å; P956-F958 HydrophobicContact CB-CG 4.08Å; P956-F958 HydrophobicContact CB-CZ 3.82Å; P956-F958 HydrophobicContact CG-CD1 4.26Å; P956-F958 HydrophobicContact CG-CE1 3.6Å; P956-F958 HydrophobicContact CG-CE2 4.36Å; P956-F958 HydrophobicContact CG-CZ 3.65Å; P956-F958 PolarHBondContact O-N 2.92Å; P956-Y959 PolarHBondContact O-N 3.29Å
957	C	87.3	Confident	91.6	Very high	30 Å²	30	76.3 Å²	76.3	20%	0.203	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-65	-21	178.6	-66.4	0	0	0	0	113.9	F456 G457 V458 K459 Y959 D960 I961	F456-C957 PolarHBondContact O-N 3.24Å; G457-C957 PolarHBondContact O-N 2.96Å; V458-C957 VanDerWaalsContact C-SG 3.51Å; K459-C957 VanDerWaalsContact CA-SG 3.58Å; K459-C957 PolarHBondContact N-SG 3.16Å; C957-Y959 PolarHBondContact O-N 3.11Å; C957-D960 PolarHBondContact O-N 3.09Å; C957-I961 PolarHBondContact O-N 3.21Å
958	F	90.2	Very high	92.1	Very high	89 Å²	89	81.1 Å²	81.1	39%	0.39	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-60.7	-12.4	174.7	66.9	-121.7	0	0	0	115.1	F456 L952 P956 D960	F456-F958 HydrophobicContact CB-CB 4.47Å; F456-F958 HydrophobicContact CB-CD1 4.4Å; F456-F958 HydrophobicContact CD1-CB 4.18Å; F456-F958 WeakPolarHBondContact O-CD1 3.32Å; F456-F958 PolarHBondContact O-N 3.44Å; L952-F958 HydrophobicContact CD1-CE1 3.87Å; L952-F958 HydrophobicContact CD2-CD1 4.44Å; L952-F958 HydrophobicContact CD2-CE1 4.02Å; P956-F958 HydrophobicContact CB-CD1 3.55Å; P956-F958 HydrophobicContact CB-CD2 4.45Å; P956-F958 HydrophobicContact CB-CE1 3.42Å; P956-F958 VanDerWaalsContact CB-CE1 3.42Å; P956-F958 HydrophobicContact CB-CE2 4.31Å; P956-F958 HydrophobicContact CB-CG 4.08Å; P956-F958 HydrophobicContact CB-CZ 3.82Å; P956-F958 HydrophobicContact CG-CD1 4.26Å; P956-F958 HydrophobicContact CG-CE1 3.6Å; P956-F958 HydrophobicContact CG-CE2 4.36Å; P956-F958 HydrophobicContact CG-CZ 3.65Å; P956-F958 PolarHBondContact O-N 2.92Å; F958-D960 PolarHBondContact O-N 3.28Å
959	Y	91.9	Very high	92.3	Very high	150 Å²	150	83.9 Å²	83.9	59%	0.588	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.4	170.5	-89.4	-79.1	0	0	0	113.6	R955 P956 C957	R955-Y959 HydrophobicContact CG-CD2 4.27Å; P956-Y959 PolarHBondContact O-N 3.29Å; C957-Y959 PolarHBondContact O-N 3.11Å
960	D	90.5	Very high	92.1	Very high	87 Å²	87	85.5 Å²	85.5	47%	0.465	44%	0.443	S	S	.	.	S	Bend	trans	-115.2	-1.8	-176.6	-56.8	-44.8	0	0	0	112	R955 C957 F958 G972	R955-D960 IonicContact CZ-OD1 2.72Å; R955-D960 IonicContact CZ-OD2 3.49Å; R955-D960 IonicContact NE-OD2 3.83Å; R955-D960 IonicContact NH2-OD1 2.72Å; R955-D960 PolarHBondContact NH2-OD1 2.71Å; R955-D960 IonicContact NH2-OD2 3.52Å; R955-D960 PolarHBondContact NH2-OD2 3Å; C957-D960 PolarHBondContact O-N 3.09Å; F958-D960 PolarHBondContact O-N 3.28Å; D960-G972 WeakPolarHBondContact O-CA 2.99Å
961	I	92.4	Very high	92.1	Very high	35 Å²	35	88.1 Å²	88.1	18%	0.179	45%	0.454	C	S	.	.			trans	-90.4	129.8	179.2	-63.2	169.6	0	0	0	110.1	F456 C957 I970 I971 L973	F456-I961 HydrophobicContact CD1-CD1 3.86Å; F456-I961 HydrophobicContact CE1-CD1 4.14Å; F456-I961 HydrophobicContact CE1-CG2 4.47Å; C957-I961 PolarHBondContact O-N 3.21Å; I961-I970 HydrophobicContact CG2-CG2 4.41Å; I961-I971 VanDerWaalsContact CA-O 3.3Å; I961-I971 WeakPolarHBondContact CA-O 3.43Å; I961-L973 HydrophobicContact CD1-CD1 3.73Å; I961-L973 HydrophobicContact CG1-CD1 4.31Å; I961-L973 HydrophobicContact CG2-CD1 4.42Å
962	D	94.6	Very high	91.9	Very high	114 Å²	114	88.9 Å²	88.9	61%	0.61	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	176.9	174.1	-152	-9.3	0	0	0	111	I971	D962-I971 HydrophobicContact CB-CB 4.33Å; D962-I971 PolarHBondContact N-O 2.82Å; D962-I971 PolarHBondContact O-N 3.16Å
963	L	95.6	Very high	91.6	Very high	96 Å²	96	86.4 Å²	86.4	50%	0.503	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.1	175.3	177.5	68.4	0	0	0	110	P965 E968 I970	L963-P965 WeakPolarHBondContact O-CD 3.4Å; L963-E968 WeakPolarHBondContact CD1-O 3.48Å; L963-I970 HydrophobicContact CD1-CG1 4.17Å
964	D	95.9	Very high	91.2	Very high	51 Å²	51	86.1 Å²	86.1	27%	0.273	44%	0.443	S	S	.	.			trans	-68.9	120.1	173.1	179.5	-19.3	0	0	0	110.2	E966 T967 E968 E969	D964-E966 VanDerWaalsContact C-N 3.32Å; D964-E966 PolarHBondContact O-N 3.31Å; D964-E966 PolarHBondContact OD1-N 2.89Å; D964-T967 VanDerWaalsContact CB-OG1 3.27Å; D964-T967 WeakPolarHBondContact CB-OG1 3.22Å; D964-T967 PolarHBondContact OD1-N 2.94Å; D964-T967 VanDerWaalsContact OD1-N 3.12Å; D964-T967 VanDerWaalsContact OD2-CG2 3.3Å; D964-T967 WeakPolarHBondContact OD2-CG2 3.42Å; D964-T967 PolarHBondContact OD2-OG1 3.08Å; D964-E968 VanDerWaalsContact O-CA 3.23Å; D964-E968 WeakPolarHBondContact O-CA 3.15Å; D964-E968 PolarHBondContact O-N 2.95Å; D964-E969 PolarHBondContact N-O 3.14Å
965	P	96.1	Very high	91.3	Very high	123 Å²	123	82.9 Å²	82.9	80%	0.799	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.7	-177.1	34.6	-37.3	0	0	0	114.4	L963	L963-P965 WeakPolarHBondContact O-CD 3.4Å
966	E	96.4	Very high	91.4	Very high	185 Å²	185	79.6 Å²	79.6	86%	0.864	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-35.5	174.8	-64.3	-168.2	-178.4	0	0	112.4	D964	D964-E966 VanDerWaalsContact C-N 3.32Å; D964-E966 PolarHBondContact O-N 3.31Å; D964-E966 PolarHBondContact OD1-N 2.89Å
967	T	94.1	Very high	91.5	Very high	78 Å²	78	83.6 Å²	83.6	48%	0.479	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.7	-179.5	67.4	0	0	0	0	115	D964 E969	D964-T967 VanDerWaalsContact CB-OG1 3.27Å; D964-T967 WeakPolarHBondContact CB-OG1 3.22Å; D964-T967 PolarHBondContact OD1-N 2.94Å; D964-T967 VanDerWaalsContact OD1-N 3.12Å; D964-T967 VanDerWaalsContact OD2-CG2 3.3Å; D964-T967 WeakPolarHBondContact OD2-CG2 3.42Å; D964-T967 PolarHBondContact OD2-OG1 3.08Å; T967-E969 PolarHBondContact O-N 2.81Å; T967-E969 PolarHBondContact OG1-N 3.36Å
968	E	92.1	Very high	91.7	Very high	166 Å²	166	86.8 Å²	86.8	78%	0.776	45%	0.446	S	S	*	.			trans	60.1	13.7	-168.9	-55.2	-173.3	166.6	0	0	114.3	L963 D964	L963-E968 WeakPolarHBondContact CD1-O 3.48Å; D964-E968 VanDerWaalsContact O-CA 3.23Å; D964-E968 WeakPolarHBondContact O-CA 3.15Å; D964-E968 PolarHBondContact O-N 2.95Å
969	E	91.4	Very high	91.8	Very high	92 Å²	92	86.6 Å²	86.6	43%	0.43	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-77.8	135.9	175.9	-70.2	-164	-163.4	0	0	112.7	R362 D964 T967	R362-E969 IonicContact CZ-OE2 3.59Å; R362-E969 VanDerWaalsContact CZ-OE2 3.32Å; R362-E969 IonicContact NE-OE2 3.67Å; R362-E969 IonicContact NH1-OE2 2.63Å; R362-E969 PolarHBondContact NH1-OE2 3.07Å; D964-E969 PolarHBondContact N-O 3.14Å; T967-E969 PolarHBondContact O-N 2.81Å; T967-E969 PolarHBondContact OG1-N 3.36Å
970	I	91.9	Very high	91.8	Very high	35 Å²	35	82.4 Å²	82.4	18%	0.179	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.2	178.7	-47.9	179.5	0	0	0	110.3	R362 E474 L478 I961 L963 L973	R362-I970 PolarHBondContact NH2-O 3.04Å; E474-I970 HydrophobicContact CB-CD1 4.24Å; E474-I970 HydrophobicContact CG-CD1 4.25Å; L478-I970 HydrophobicContact CD1-CD1 3.79Å; I961-I970 HydrophobicContact CG2-CG2 4.41Å; L963-I970 HydrophobicContact CD1-CG1 4.17Å; I970-L973 HydrophobicContact CD1-CD2 4.25Å; I970-L973 HydrophobicContact CG2-CB 4.05Å; I970-L973 HydrophobicContact CG2-CD2 4.2Å
971	I	90.9	Very high	91.9	Very high	92 Å²	92	82.1 Å²	82.1	47%	0.472	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145.9	178.3	-57.9	179.1	0	0	0	109.4	I961 D962 L973	I961-I971 VanDerWaalsContact CA-O 3.3Å; I961-I971 WeakPolarHBondContact CA-O 3.43Å; D962-I971 HydrophobicContact CB-CB 4.33Å; D962-I971 PolarHBondContact N-O 2.82Å; D962-I971 PolarHBondContact O-N 3.16Å; I971-L973 VanDerWaalsContact C-N 3.26Å; I971-L973 PolarHBondContact O-N 3.17Å
972	G	86.9	Confident	91.9	Very high	35 Å²	35	85.7 Å²	85.7	36%	0.361	46%	0.458	S	S	.	.	S	Bend	trans	65.7	6.9	166.3	0	0	0	0	0	118.8	D960 F974	D960-G972 WeakPolarHBondContact O-CA 2.99Å; G972-F974 PolarHBondContact O-N 3.18Å
973	L	85.4	Confident	91.7	Very high	6 Å²	6	83.3 Å²	83.3	3%	0.031	45%	0.446	C	S	.	.			trans	-67.2	-23.9	179.2	-162.2	64.1	0	0	0	113.4	T455 G460 E474 L478 I961 I970 I971	T455-L973 HydrophobicContact CG2-CD1 3.44Å; T455-L973 VanDerWaalsContact CG2-CD1 3.44Å; T455-L973 HydrophobicContact CG2-CG 4.06Å; G460-L973 PolarHBondContact N-O 3.26Å; E474-L973 HydrophobicContact CG-CD2 4.48Å; L478-L973 HydrophobicContact CD1-CD2 4.27Å; L478-L973 HydrophobicContact CD2-CD2 4.39Å; L478-L973 HydrophobicContact CG-CD2 4.35Å; I961-L973 HydrophobicContact CD1-CD1 3.73Å; I961-L973 HydrophobicContact CG1-CD1 4.31Å; I961-L973 HydrophobicContact CG2-CD1 4.42Å; I970-L973 HydrophobicContact CD1-CD2 4.25Å; I970-L973 HydrophobicContact CG2-CB 4.05Å; I970-L973 HydrophobicContact CG2-CD2 4.2Å; I971-L973 VanDerWaalsContact C-N 3.26Å; I971-L973 PolarHBondContact O-N 3.17Å
974	F	83.4	Confident	91.3	Very high	41 Å²	41	82.2 Å²	82.2	18%	0.18	44%	0.44	C	S	.	.			trans	-143.2	0	-167.5	-56.3	-60.1	0	0	0	114.3	I358 K459 M473 E474 N477 G972	I358-F974 HydrophobicContact CB-CB 4.03Å; I358-F974 HydrophobicContact CB-CD2 4.03Å; I358-F974 HydrophobicContact CB-CG 4.46Å; I358-F974 HydrophobicContact CD1-CD2 3.8Å; I358-F974 HydrophobicContact CD1-CE2 4.13Å; I358-F974 HydrophobicContact CG1-CD2 3.99Å; I358-F974 HydrophobicContact CG2-CB 4.19Å; K459-F974 WeakPolarHBondContact CE-O 3.12Å; K459-F974 WeakPolarHBondContact CE-OXT 3.2Å; K459-F974 PolarHBondContact NZ-O 2.98Å; K459-F974 PolarHBondContact NZ-OXT 3.37Å; M473-F974 HydrophobicContact CB-CE2 4.47Å; M473-F974 HydrophobicContact CE-CB 3.8Å; M473-F974 HydrophobicContact CE-CD1 3.32Å; M473-F974 HydrophobicContact CE-CD2 3.85Å; M473-F974 HydrophobicContact CE-CE1 3.74Å; M473-F974 HydrophobicContact CE-CE2 4.2Å; M473-F974 HydrophobicContact CE-CG 3.38Å; M473-F974 HydrophobicContact CE-CZ 4.16Å; M473-F974 HydrophobicContact CG-CE1 4.16Å; M473-F974 HydrophobicContact CG-CE2 4.08Å; M473-F974 HydrophobicContact CG-CZ 3.85Å; M473-F974 WeakPolarHBondContact O-CZ 3.5Å; E474-F974 HydrophobicContact CG-CE2 3.77Å; N477-F974 HydrophobicContact CB-CE1 4.02Å; N477-F974 HydrophobicContact CB-CZ 3.84Å; N477-F974 WeakPolarHBondContact ND2-CE1 3.26Å; G972-F974 PolarHBondContact O-N 3.18Å

Retrieved 974 of 974 residues in 1626.4 ms (Link to these results)

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