A0A3Q0KHU5_SCHMA Loading...

Tubulin tyrosine ligase-related

AlphaFold DB , UniProt , Accession A0A3Q0KHU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,067 aa.

						>A0A3Q0KHU5_SCHMA|A0A3Q0KHU5
MDDIVHIKDSVSPEFLSSEVHIKTLGDTSSDEENIPEDEGGSELKDSLNVCQPVLRLIDEENLLILPPEDQEEKSETDTALHDGCGEVEKSSTMTNKPETPLKSPPEGQVCKKKRKKKHLVVNLSNCKYESVRRVLKRFGFRETEDDEDWCLYWTDYSVTIDKVLVMKQWQKINHFPGMSEICRKDSLARNLNRMIRLFPKDYNIFPKTWCLPSDWNDVQNYARKHKSKTFIIKPDNGCQGRGIYITKNAKDIRPVENMICQVYISRPFLIDGYKFDLRIYVLLTSCDPLRLFVFKDGLVRFTTYSYIEPNQRNVHDMYMHLTNYAVQKHSEGYIRDNEEGGTKRRITTLNRWFKDNGYDVKKIWEDIDDVIIKTLLSGYAIIRHNYRTCFPNHIQTSACFEILGFDILFNHRLKPYVLEVNHSPSFTTDSKLDKEIKEAMLWDTVQLAHFNAVSKKKCCDEERKRIRNRLLHKNIDKDHKCSLERDVEKYQALSEKYENSHMGNFRLIYPSNDLEKYSSFLNPTATFYQETVTYKVRSECARQLREEIRLKQEKLDLIANKHKQSQSESPAPKRLRIKINTGLLSQQLMKSDNNDEIVNNSNQLIPINKVDFNVNNRQNNQEEQRKPDKCLEVPTERKQEKDSDDNHPGNQALIESTLNNGKVCINTKLPQPILDDEETERRNELKKREDQMHKIGLISILYELFAQNKHSHSLKIKDKKGFNELYLDNNTNTEQNCIEHRQSQQETDKKKGRELNVLKPTTSWKNRTQLSGRQKYWIKNQGHGNSAKEKPDIILDTKRTPVVWDNLIEKNKPSLVPQMNQCFNNYFVRLNGNRCVNSAQPSINNPTFGAFPSHQLHKIHQQKSQQSHRVHSGNFYNGGIHSNPTIINPTNGQNLPANLDSQAFYQDCNDTTLTVVKSHQSVKNSFESICNPIHTSLRMNENCGFLPSRSIRSNSAIKSKYIYTDLTSCNNNSNNITTSNSQNASRQNSHNSSSKKVPNDSESVKTAEKYKTPLPTLVNPRVNTSHNSHSPQLMINGLMPVVTSAKLNRVARRSSNQEYYRTVLNE
					

Structure Viewer

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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	36.1	Very low	34.1	Very low	221 Å²	221	146.1 Å²	146.1	100%	1.089	77%	0.772	S	S	*	*				0	80.5	0	-78.9	-173.9	174.4	0	0	111
2	D	34.3	Very low	34.3	Very low	133 Å²	133	143.3 Å²	143.3	71%	0.711	77%	0.773	S	S	*	*			cis	-176.1	150.1	-23.1	-83.7	-33.5	0	0	0	104.1
3	D	31.7	Very low	34.6	Very low	122 Å²	122	141 Å²	141	65%	0.652	77%	0.77	S	S	*	*			cis	178.3	130.4	-29.6	-129.5	12.8	0	0	0	103.8
4	I	34.2	Very low	34.5	Very low	144 Å²	144	143 Å²	143	74%	0.738	77%	0.772	S	S	*	*			trans	70.1	146.6	154.6	-52.5	159.7	0	0	0	114
5	V	39.8	Very low	34.2	Very low	110 Å²	110	145.5 Å²	145.5	67%	0.667	77%	0.773	S	S	*	*				-175.4	134.7	86.4	165.1	0	0	0	0	109.9
6	H	37.6	Very low	34.3	Very low	164 Å²	164	147.3 Å²	147.3	76%	0.759	78%	0.781	S	S	*	*			trans	50.8	132.6	166.7	-56.8	-35.6	0	0	0	120.4
7	I	33	Very low	33.9	Very low	144 Å²	144	144.4 Å²	144.4	74%	0.738	78%	0.776	S	S	*	*			cis	84.8	130	19.5	-54.1	173.4	0	0	0	115.2
8	K	30.3	Very low	34	Very low	180 Å²	180	143.3 Å²	143.3	78%	0.783	78%	0.782	S	S	*	*			trans	74.3	150.6	174.4	-79	174.4	-176.9	-174	0	116.3
9	D	35.3	Very low	33.9	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	79%	0.788	S	S	*	*			cis	-133.5	174.2	5.8	-98.3	-45.9	0	0	0	113.1
10	S	30.6	Very low	33.7	Very low	106 Å²	106	144.5 Å²	144.5	74%	0.741	78%	0.784	S	S	*	*			trans	-113.2	151.4	170.8	56	0	0	0	0	111.6
11	V	32.5	Very low	33.6	Very low	137 Å²	137	146 Å²	146	83%	0.83	79%	0.785	S	S	*	*			trans	172.2	152.6	148.7	143.6	0	0	0	0	110.4
12	S	35.7	Very low	33.3	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	77%	0.768	S	S	*	*			trans	-110.2	154.8	171.8	-49.9	0	0	0	0	110.8
13	P	38.2	Very low	33.3	Very low	114 Å²	114	145.1 Å²	145.1	74%	0.74	77%	0.774	S	S	*	*			trans	-141.8	128.5	139.8	31.5	-14.2	0	0	0	115.6
14	E	33.4	Very low	33.2	Very low	169 Å²	169	144.8 Å²	144.8	79%	0.79	78%	0.777	S	S	*	*				34.6	138.8	122.4	-69.7	-167.7	148.2	0	0	124.6
15	F	30.8	Very low	33.1	Very low	181 Å²	181	146.1 Å²	146.1	79%	0.794	79%	0.785	S	S	*	*			trans	45.1	128	143.4	-77.1	-86.3	0	0	0	122.3
16	L	35.3	Very low	32.7	Very low	173 Å²	173	144.2 Å²	144.2	91%	0.906	79%	0.787	S	S	*	*				-158.6	163.4	114.4	-108.6	168.7	0	0	0	111.5
17	S	27.3	Very low	32.5	Very low	98 Å²	98	143 Å²	143	69%	0.685	79%	0.787	S	S	*	*			trans	-117.6	159.5	-167.8	49	0	0	0	0	113.4
18	S	36.3	Very low	32.4	Very low	126 Å²	126	142.2 Å²	142.2	88%	0.881	79%	0.788	S	S	*	*			trans	-140.9	148.1	168	-62.1	0	0	0	0	110.1
19	E	31.7	Very low	32.7	Very low	193 Å²	193	138.4 Å²	138.4	90%	0.902	79%	0.785	S	S	*	*			trans	-100.8	166.5	-158.7	-64.6	178.2	110.5	0	0	115.9
20	V	29.9	Very low	32.6	Very low	116 Å²	116	136.1 Å²	136.1	70%	0.703	78%	0.78	S	S	*	*			trans	-71.8	138.5	172.4	176.3	0	0	0	0	110.7	I22	V20-I22 HydrophobicContact CG1-CD1 4.34Å; V20-I22 HydrophobicContact CG1-CG1 3.99Å
21	H	31.8	Very low	32.9	Very low	176 Å²	176	138.4 Å²	138.4	82%	0.815	78%	0.784	S	S	*	*			trans	-136.2	116.6	158.1	-112	45.6	0	0	0	111.8
22	I	30.1	Very low	33.1	Very low	142 Å²	142	140.8 Å²	140.8	73%	0.728	79%	0.786	S	S	*	*			trans	-96.7	128.2	174.4	-62.6	165.4	0	0	0	107.9	V20	V20-I22 HydrophobicContact CG1-CD1 4.34Å; V20-I22 HydrophobicContact CG1-CG1 3.99Å
23	K	33.8	Very low	33.3	Very low	194 Å²	194	143.4 Å²	143.4	84%	0.843	79%	0.786	S	S	*	*			trans	-139.9	153.9	159.4	-75	-164.4	175.5	-178.7	0	110.4
24	T	29.6	Very low	33.2	Very low	116 Å²	116	144.5 Å²	144.5	71%	0.712	79%	0.786	S	S	*	*			trans	-132.6	148.5	-159.2	-10	0	0	0	0	111.4
25	L	31.5	Very low	33.3	Very low	172 Å²	172	143.3 Å²	143.3	90%	0.901	78%	0.783	S	S	*	*			trans	66.1	148.9	161.2	-63.2	155.6	0	0	0	117.3
26	G	32.2	Very low	33.7	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	78%	0.783	S	S	*	*			trans	148.3	45.8	172.4	0	0	0	0	0	119.8
27	D	33.6	Very low	33.7	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	78%	0.779	S	S	*	*			trans	29.7	123.2	143.5	-52.3	-21.4	0	0	0	124.1
28	T	31.6	Very low	34.1	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	79%	0.786	S	S	*	*			trans	72.1	150.9	131.5	57.6	0	0	0	0	124.6
29	S	35	Very low	34.2	Very low	101 Å²	101	146.2 Å²	146.2	71%	0.706	79%	0.785	S	S	*	*			trans	57.6	109.6	161.3	38.8	0	0	0	0	117.5
30	S	34	Very low	34.2	Very low	98 Å²	98	140.9 Å²	140.9	69%	0.685	78%	0.782	S	S	*	*				81.9	129.7	64.3	77.4	0	0	0	0	113.8
31	D	37.7	Very low	34.2	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	79%	0.788	S	S	*	*				-179.5	172.7	113.1	-81.3	-2.2	0	0	0	109.4
32	E	37	Very low	34.1	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	79%	0.79	S	S	*	*			trans	-97.3	166.9	-167.9	-54.6	-175.1	132.8	0	0	113.3
33	E	39.3	Very low	34.2	Very low	168 Å²	168	136.9 Å²	136.9	79%	0.785	79%	0.788	S	S	*	*				170.4	133.1	112.8	-91.8	-158.3	-176.3	0	0	116.5
34	N	36.6	Very low	34	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	79%	0.793	S	S	*	*			trans	71.5	148	137.2	-68.8	-42.9	0	0	0	125.1
35	I	35.2	Very low	34	Very low	144 Å²	144	138.7 Å²	138.7	74%	0.738	79%	0.794	S	S	*	*			trans	-147	131.3	-162.2	-71.2	156.3	0	0	0	109.9	E37	I35-E37 HydrophobicContact CG2-CG 4.21Å
36	P	37.8	Very low	34	Very low	120 Å²	120	138 Å²	138	78%	0.779	79%	0.791	S	S	*	*				-109.9	170.2	114.3	-17.5	34.9	0	0	0	112.7
37	E	35.7	Very low	33.9	Very low	178 Å²	178	140 Å²	140	83%	0.832	79%	0.794	S	S	*	*			cis	78.2	109.5	17.4	-56.3	-166.4	160.8	0	0	117.4	I35	I35-E37 HydrophobicContact CG2-CG 4.21Å
38	D	37	Very low	33.6	Very low	155 Å²	155	141 Å²	141	83%	0.829	80%	0.798	S	S	*	*				-164.1	-179.1	102.2	-141.9	-13.1	0	0	0	113.9
39	E	37.2	Very low	33.6	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	80%	0.8	S	S	*	*			trans	-44	160.6	-173.9	-47.5	-158	137.7	0	0	118.3
40	G	31.3	Very low	33.3	Very low	81 Å²	81	142.7 Å²	142.7	84%	0.835	80%	0.798	S	S	*	*			cis	159.5	145.3	-1.6	0	0	0	0	0	111.1
41	G	30.6	Very low	32.9	Very low	81 Å²	81	144 Å²	144	84%	0.835	81%	0.806	S	S	*	*			trans	171.4	126.3	-178.8	0	0	0	0	0	115.7
42	S	30.3	Very low	32.4	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	80%	0.803	S	S	*	*			trans	-69.8	132.9	-173	55.3	0	0	0	0	115.9
43	E	31	Very low	32	Very low	147 Å²	147	140.1 Å²	140.1	69%	0.687	79%	0.792	S	S	*	*			trans	-156.6	140.9	141.5	-136.8	179.2	-152.8	0	0	112.8	K45	E43-K45 PolarHBondContact O-N 3.1Å; E43-K45 WeakPolarHBondContact OE2-CE 3.13Å; E43-K45 IonicContact OE2-NZ 3.9Å; E43-K45 PolarHBondContact OE2-NZ 3.42Å
44	L	29.4	Very low	31.6	Very low	183 Å²	183	139.2 Å²	139.2	96%	0.958	80%	0.797	S	S	*	*			trans	-79.4	98.3	-179.4	-82.7	158.4	0	0	0	111.4
45	K	29.8	Very low	31.1	Very low	165 Å²	165	139.1 Å²	139.1	72%	0.717	80%	0.796	S	S	*	*			trans	-113.3	93.9	173.2	-74.2	171.4	-177.4	146.6	0	111	E43 S47	E43-K45 PolarHBondContact O-N 3.1Å; E43-K45 WeakPolarHBondContact OE2-CE 3.13Å; E43-K45 IonicContact OE2-NZ 3.9Å; E43-K45 PolarHBondContact OE2-NZ 3.42Å; K45-S47 PolarHBondContact O-N 3.36Å
46	D	31.3	Very low	30.7	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	80%	0.802	S	S	*	*			trans	-55.8	129.5	164.9	-96.8	-38.3	0	0	0	109.3	L48	D46-L48 PolarHBondContact O-N 2.89Å
47	S	31.1	Very low	30.1	Very low	111 Å²	111	145.3 Å²	145.3	78%	0.776	81%	0.806	S	S	*	*			trans	-76.1	86.1	-161.4	61.3	0	0	0	0	113.5	K45 N49	K45-S47 PolarHBondContact O-N 3.36Å; S47-N49 PolarHBondContact O-N 2.61Å
48	L	27.7	Very low	29.7	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	81%	0.808	S	S	*	*			trans	-68.6	79	154.4	-90.3	82.7	0	0	0	109.4	D46 V50	D46-L48 PolarHBondContact O-N 2.89Å; L48-V50 PolarHBondContact O-N 3.48Å
49	N	29.7	Very low	29.6	Very low	153 Å²	153	143.3 Å²	143.3	82%	0.818	80%	0.8	S	S	*	*			trans	-94	96.3	163.5	-114.9	-6	0	0	0	110.6	S47 C51	S47-N49 PolarHBondContact O-N 2.61Å; N49-C51 PolarHBondContact O-N 2.84Å; N49-C51 VanDerWaalsContact O-N 3.09Å
50	V	29.1	Very low	29.7	Very low	110 Å²	110	143 Å²	143	67%	0.667	80%	0.798	S	S	*	*			trans	-39.5	100.1	172.5	-179.1	0	0	0	0	112.6	L48 Q52	L48-V50 PolarHBondContact O-N 3.48Å; V50-Q52 VanDerWaalsContact C-N 3.29Å; V50-Q52 HydrophobicContact CG1-CB 4.4Å; V50-Q52 HydrophobicContact CG1-CG 3.81Å; V50-Q52 PolarHBondContact O-N 2.82Å; V50-Q52 VanDerWaalsContact O-N 3.11Å
51	C	26.3	Very low	30	Very low	126 Å²	126	146.3 Å²	146.3	85%	0.851	79%	0.792	S	S	*	*			trans	-74.9	89.2	151.2	-69.8	0	0	0	0	108.2	N49	N49-C51 PolarHBondContact O-N 2.84Å; N49-C51 VanDerWaalsContact O-N 3.09Å
52	Q	28.1	Very low	31	Very low	159 Å²	159	146.9 Å²	146.9	74%	0.743	78%	0.776	S	S	*	*			trans	-56.4	135.2	162.1	-96.5	170.2	-16	0	0	108.3	V50 V54	V50-Q52 VanDerWaalsContact C-N 3.29Å; V50-Q52 HydrophobicContact CG1-CB 4.4Å; V50-Q52 HydrophobicContact CG1-CG 3.81Å; V50-Q52 PolarHBondContact O-N 2.82Å; V50-Q52 VanDerWaalsContact O-N 3.11Å; Q52-V54 PolarHBondContact O-N 3.34Å
53	P	27.7	Very low	32.4	Very low	100 Å²	100	147.2 Å²	147.2	65%	0.649	77%	0.768	S	S	*	*			trans	-69.4	117.7	174.2	28.9	-32.5	0	0	0	108.7	L55	P53-L55 HydrophobicContact CB-CD1 4.06Å; P53-L55 HydrophobicContact CB-CG 4.16Å; P53-L55 HydrophobicContact CG-CD1 4.33Å; P53-L55 PolarHBondContact O-N 2.91Å
54	V	29.8	Very low	33.8	Very low	148 Å²	148	141.5 Å²	141.5	90%	0.897	74%	0.742	S	S	*	*			trans	-71.1	77.3	166.3	-176.3	0	0	0	0	107.8	Q52	Q52-V54 PolarHBondContact O-N 3.34Å
55	L	27.3	Very low	35.4	Very low	135 Å²	135	138 Å²	138	71%	0.707	72%	0.722	S	S	*	*			trans	-101.4	128.4	169.8	-80.2	167.7	0	0	0	107.9	P53	P53-L55 HydrophobicContact CB-CD1 4.06Å; P53-L55 HydrophobicContact CB-CG 4.16Å; P53-L55 HydrophobicContact CG-CD1 4.33Å; P53-L55 PolarHBondContact O-N 2.91Å
56	R	25.5	Very low	37.1	Very low	228 Å²	228	133.7 Å²	133.7	86%	0.86	71%	0.707	S	S	*	*	S	Bend	trans	98.4	143.1	-178.6	-56.1	154.4	-175	-166.2	-0.1	113.7
57	L	26	Very low	38.7	Very low	166 Å²	166	126.8 Å²	126.8	87%	0.869	67%	0.671	S	S	*	*	S	Bend	trans	74.5	150.7	-178.7	-48	179.2	0	0	0	114.7
58	I	27.9	Very low	40.3	Very low	168 Å²	168	125.7 Å²	125.7	86%	0.862	66%	0.661	S	S	*	*			trans	65.8	77.2	-175.8	-42.5	172.2	0	0	0	114.5
59	D	33.7	Very low	41.5	Very low	123 Å²	123	125.7 Å²	125.7	66%	0.658	66%	0.657	S	S	*	*			trans	-139.1	24.5	161.1	-154.7	24	0	0	0	110.3	K296	D59-K296 IonicContact OD1-NZ 3.71Å; D59-K296 PolarHBondContact OD1-NZ 3.1Å; D59-K296 IonicContact OD2-NZ 3.9Å
60	E	39.2	Very low	42.2	Very low	179 Å²	179	123.2 Å²	123.2	84%	0.836	64%	0.643	S	S	*	*	S	Bend	trans	-97.2	-27.9	-171.8	-60.5	-151.3	120.7	0	0	114
61	E	39.1	Very low	42.2	Very low	150 Å²	150	127.1 Å²	127.1	70%	0.701	65%	0.654	S	S	*	*	S	Bend	trans	-95.3	121	172.5	-64.4	-166.8	165.4	0	0	110.3	L63	E61-L63 HydrophobicContact CB-CD1 4.14Å; E61-L63 HydrophobicContact CB-CG 4.22Å; E61-L63 PolarHBondContact O-N 2.89Å; E61-L63 WeakPolarHBondContact OE2-CD1 3.13Å
62	N	51.9	Low	42.5	Very low	93 Å²	93	127.8 Å²	127.8	50%	0.497	65%	0.645	S	S	.	*			trans	-80.4	49.4	-179.1	-79.4	-105.6	0	0	0	111.6	T348	N62-T348 HydrophobicContact CB-CG2 4.16Å
63	L	58.3	Low	42.6	Very low	130 Å²	130	129.7 Å²	129.7	68%	0.681	65%	0.654	S	S	*	*			trans	-78.5	127.4	177.8	-73.5	168.2	0	0	0	110.4	E61 I65	E61-L63 HydrophobicContact CB-CD1 4.14Å; E61-L63 HydrophobicContact CB-CG 4.22Å; E61-L63 PolarHBondContact O-N 2.89Å; E61-L63 WeakPolarHBondContact OE2-CD1 3.13Å; L63-I65 PolarHBondContact O-N 3.19Å
64	L	60.1	Low	42.6	Very low	27 Å²	27	132.3 Å²	132.3	14%	0.141	66%	0.655	C	S	.	*			trans	-73.2	117.1	172.3	179.5	70.2	0	0	0	108.7	L66 F295 D297 E436 I437 A440 N505	L64-L66 HydrophobicContact CD2-CD2 3.87Å; L64-L66 HydrophobicContact CG-CD2 4.23Å; L64-L66 PolarHBondContact O-N 3.32Å; L64-F295 HydrophobicContact CD1-CE1 3.91Å; L64-F295 HydrophobicContact CD1-CZ 3.86Å; L64-D297 HydrophobicContact CD1-CB 4.41Å; L64-E436 HydrophobicContact CD2-CB 4.19Å; L64-I437 HydrophobicContact CD2-CG1 4.09Å; L64-A440 HydrophobicContact CD1-CB 4.17Å; L64-A440 HydrophobicContact CD2-CB 4.38Å; L64-A440 HydrophobicContact CG-CB 4.31Å; L64-N505 HydrophobicContact CD1-CB 4.4Å
65	I	64.1	Low	42.6	Very low	108 Å²	108	130.3 Å²	130.3	55%	0.554	65%	0.648	S	S	*	*			trans	-69.1	107.1	173.2	-54.7	175	0	0	0	107.4	L63 N505	L63-I65 PolarHBondContact O-N 3.19Å; I65-N505 PolarHBondContact N-OD1 3.09Å; I65-N505 PolarHBondContact O-ND2 3.38Å
66	L	66.1	Low	42.8	Very low	76 Å²	76	132.5 Å²	132.5	40%	0.398	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-76.4	149.8	175	-64	179.4	0	0	0	110.4	L64 E436	L64-L66 HydrophobicContact CD2-CD2 3.87Å; L64-L66 HydrophobicContact CG-CD2 4.23Å; L64-L66 PolarHBondContact O-N 3.32Å; L66-E436 HydrophobicContact CD2-CB 3.84Å; L66-E436 HydrophobicContact CD2-CG 3.96Å
67	P	65	Low	43	Very low	13 Å²	13	127.5 Å²	127.5	8%	0.084	65%	0.649	C	S	.	*	P	Polyproline II helix	trans	-62.9	152.2	169.7	29.4	-34.7	0	0	0	109.8	E69 E439 W443	P67-E69 PolarHBondContact O-N 2.89Å; P67-E439 HydrophobicContact CG-CB 4.42Å; P67-W443 HydrophobicContact CB-CB 4.11Å; P67-W443 HydrophobicContact CB-CD2 3.86Å; P67-W443 HydrophobicContact CB-CE3 4.21Å; P67-W443 HydrophobicContact CB-CG 3.81Å
68	P	62.9	Low	43.4	Very low	88 Å²	88	126.7 Å²	126.7	57%	0.571	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-52.8	129.4	176.9	-25.7	34.4	0	0	0	111.3
69	E	54.2	Low	43.7	Very low	160 Å²	160	125.5 Å²	125.5	75%	0.748	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-70.8	144.9	174.1	-60.5	-157.7	127.1	0	0	110.1	P67 Q71	P67-E69 PolarHBondContact O-N 2.89Å; E69-Q71 PolarHBondContact O-N 3.18Å
70	D	44.3	Very low	43.5	Very low	100 Å²	100	123.8 Å²	123.8	54%	0.535	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-67.6	122.5	172.2	-47	-82.1	0	0	0	107.4	E72 R138	D70-E72 PolarHBondContact O-N 2.8Å; D70-R138 IonicContact OD1-NE 2.68Å; D70-R138 PolarHBondContact OD1-NE 3.39Å; D70-R138 IonicContact OD2-CZ 3.02Å; D70-R138 IonicContact OD2-NE 3.31Å; D70-R138 PolarHBondContact OD2-NE 3.07Å; D70-R138 IonicContact OD2-NH2 3.29Å; D70-R138 PolarHBondContact OD2-NH2 3.37Å
71	Q	28.9	Very low	43.4	Very low	192 Å²	192	123.4 Å²	123.4	90%	0.897	65%	0.652	S	S	*	*			trans	-62.7	112.8	167.7	-76.9	-175.4	-28.7	0	0	107.8	E69 E73	E69-Q71 PolarHBondContact O-N 3.18Å; Q71-E73 PolarHBondContact O-N 3.48Å
72	E	33	Very low	43.2	Very low	141 Å²	141	124.9 Å²	124.9	66%	0.659	66%	0.659	S	S	*	*			trans	-61.6	119.4	171.9	-67	-174.7	139.9	0	0	108.8	D70 K74	D70-E72 PolarHBondContact O-N 2.8Å; E72-K74 VanDerWaalsContact C-N 3.29Å; E72-K74 HydrophobicContact CB-CG 4.43Å; E72-K74 PolarHBondContact O-N 3.21Å; E72-K74 WeakPolarHBondContact OE2-CE 3.47Å; E72-K74 IonicContact OE2-NZ 2.99Å; E72-K74 PolarHBondContact OE2-NZ 3.15Å
73	E	29.5	Very low	42.3	Very low	198 Å²	198	128.1 Å²	128.1	93%	0.925	68%	0.676	S	S	*	*			trans	-63.2	92.9	167.6	-71.1	176.9	143.3	0	0	108.5	Q71	Q71-E73 PolarHBondContact O-N 3.48Å
74	K	28.3	Very low	41	Very low	155 Å²	155	125.1 Å²	125.1	67%	0.674	68%	0.677	S	S	*	*			trans	-103	140.7	167.4	-73.7	173.3	-178.2	152.4	0	107.7	E72	E72-K74 VanDerWaalsContact C-N 3.29Å; E72-K74 HydrophobicContact CB-CG 4.43Å; E72-K74 PolarHBondContact O-N 3.21Å; E72-K74 WeakPolarHBondContact OE2-CE 3.47Å; E72-K74 IonicContact OE2-NZ 2.99Å; E72-K74 PolarHBondContact OE2-NZ 3.15Å
75	S	28.4	Very low	39.6	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	72%	0.716	S	S	*	*			trans	64.2	138.1	-151.9	80	0	0	0	0	112.6
76	E	32.8	Very low	37.9	Very low	181 Å²	181	128.7 Å²	128.7	85%	0.846	72%	0.723	S	S	*	*			cis	-125.4	137.2	14	-66	168.9	147.7	0	0	112.6
77	T	29.3	Very low	36	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	75%	0.747	S	S	*	*			trans	-123.3	152.4	155.2	49.4	0	0	0	0	107.2
78	D	34.1	Very low	34.5	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	78%	0.781	S	S	*	*			trans	68.8	133.1	-175.7	-42.7	-48.2	0	0	0	112.5
79	T	33.6	Very low	33	Very low	144 Å²	144	142.3 Å²	142.3	88%	0.883	78%	0.784	S	S	*	*			cis	-137.2	172.3	24.8	14.3	0	0	0	0	113.5
80	A	31.4	Very low	31.9	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	78%	0.783	S	S	*	*			trans	-96	-172.5	178.8	0	0	0	0	0	113.7
81	L	36.3	Very low	31.3	Very low	172 Å²	172	142.4 Å²	142.4	90%	0.901	79%	0.79	S	S	*	*			trans	84.7	128.1	-174.1	-49.5	168.2	0	0	0	112.4
82	H	34.7	Very low	31.4	Very low	180 Å²	180	138 Å²	138	83%	0.833	78%	0.781	S	S	*	*			cis	-147.9	134.7	33.3	-157.9	-65.6	0	0	0	112.2
83	D	33.3	Very low	31.3	Very low	161 Å²	161	137.8 Å²	137.8	86%	0.861	79%	0.789	S	S	*	*			trans	-77.7	153.8	169.8	-96.2	-53.5	0	0	0	111.8
84	G	31	Very low	31.4	Very low	68 Å²	68	136.8 Å²	136.8	70%	0.701	79%	0.787	S	S	*	*			trans	-172.1	75.2	-175.5	0	0	0	0	0	118
85	C	29.7	Very low	31.7	Very low	141 Å²	141	136 Å²	136	95%	0.953	80%	0.795	S	S	*	*			trans	61.7	128.2	162.7	-60.7	0	0	0	0	119.2
86	G	29.5	Very low	32.2	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	80%	0.798	S	S	*	*			trans	-110.4	159.9	159.2	0	0	0	0	0	111.7
87	E	26.6	Very low	32.3	Very low	193 Å²	193	137.2 Å²	137.2	90%	0.902	79%	0.791	S	S	*	*			trans	43	122.9	155.3	-53.8	-171.1	159.7	0	0	120.6
88	V	33.8	Very low	32.8	Very low	131 Å²	131	137.6 Å²	137.6	79%	0.794	80%	0.795	S	S	*	*				-177.3	121.7	118.3	144.6	0	0	0	0	112.5
89	E	30.3	Very low	32.9	Very low	138 Å²	138	137.1 Å²	137.1	65%	0.645	79%	0.788	S	S	*	*			trans	51	136.1	146.2	-61.5	-159.3	129	0	0	126.9
90	K	31.8	Very low	33.1	Very low	164 Å²	164	137 Å²	137	71%	0.713	79%	0.788	S	S	*	*			trans	79.4	109.7	131.9	-76.2	165.9	-171.5	154.2	0	123.4
91	S	30.5	Very low	33.3	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	79%	0.789	S	S	*	*				95.5	128.4	117	-158.9	0	0	0	0	121.8
92	S	31	Very low	33.3	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	79%	0.787	S	S	*	*			trans	56	139.8	142.3	60	0	0	0	0	120
93	T	32.2	Very low	33.5	Very low	137 Å²	137	138.5 Å²	138.5	84%	0.84	79%	0.787	S	S	*	*			cis	-157.4	170.4	34.5	-42.6	0	0	0	0	111.3
94	M	30.3	Very low	33.6	Very low	177 Å²	177	136.1 Å²	136.1	87%	0.872	78%	0.783	S	S	*	*			trans	-97.3	149	178.5	-61.7	-178	175.4	0	0	114.6
95	T	35.9	Very low	34.2	Very low	138 Å²	138	138.5 Å²	138.5	85%	0.847	79%	0.786	S	S	*	*			trans	-149.4	104.1	153.3	45.2	0	0	0	0	114.1
96	N	38.8	Very low	34.7	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	78%	0.78	S	S	*	*			trans	18.6	126.4	145.2	-57.2	-28.2	0	0	0	123.4
97	K	35.1	Very low	35	Very low	163 Å²	163	144.2 Å²	144.2	71%	0.709	79%	0.791	S	S	*	*				32.1	151.4	115.2	-81.3	-155.5	-175	-161.6	0	121.1	E99	K97-E99 WeakPolarHBondContact CE-OE1 3.42Å; K97-E99 IonicContact NZ-OE1 3.16Å; K97-E99 PolarHBondContact NZ-OE1 2.83Å
98	P	38.6	Very low	35.3	Very low	130 Å²	130	138.6 Å²	138.6	84%	0.844	79%	0.786	S	S	*	*			cis	-137.7	-168.7	38.8	41.1	-21.7	0	0	0	117.4
99	E	36.1	Very low	35.4	Very low	138 Å²	138	141.4 Å²	141.4	65%	0.645	79%	0.79	S	S	*	*			trans	-106.2	153.8	-164.5	-66.1	144	-159.1	0	0	114.4	K97	K97-E99 WeakPolarHBondContact CE-OE1 3.42Å; K97-E99 IonicContact NZ-OE1 3.16Å; K97-E99 PolarHBondContact NZ-OE1 2.83Å
100	T	37.6	Very low	35.8	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	80%	0.8	S	S	*	*			trans	-160.4	148	135.4	2.2	0	0	0	0	110.5
101	P	36.1	Very low	35.9	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	80%	0.801	S	S	*	*			trans	-113.5	156.2	-163.3	39.8	-31.9	0	0	0	115.3
102	L	35.5	Very low	36.1	Very low	163 Å²	163	143.9 Å²	143.9	85%	0.853	81%	0.81	S	S	*	*			trans	-175.6	152.2	139.8	-106.6	160.1	0	0	0	114.6
103	K	40.8	Very low	36.4	Very low	194 Å²	194	148.6 Å²	148.6	84%	0.843	82%	0.818	S	S	*	*			trans	69	113.3	165.7	-64.6	178.8	-178.6	177.9	0	118.9
104	S	33.5	Very low	36.6	Very low	111 Å²	111	151.9 Å²	151.9	78%	0.776	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-87.7	139.5	167.9	50.5	0	0	0	0	112.9
105	P	44.4	Very low	36.9	Very low	118 Å²	118	154.9 Å²	154.9	77%	0.766	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.8	162.1	160	33.3	-33.3	0	0	0	111.4
106	P	40.4	Very low	37.2	Very low	128 Å²	128	157.9 Å²	157.9	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.1	154.1	-166.1	31.8	-36.6	0	0	0	115.5
107	E	35.7	Very low	37.8	Very low	201 Å²	201	159.9 Å²	159.9	94%	0.939	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-65.1	142.1	166.4	-53.5	-179.3	126.7	0	0	110.8
108	G	33.8	Very low	38.9	Very low	76 Å²	76	161.2 Å²	161.2	78%	0.784	83%	0.831	S	S	*	*			trans	178.3	-15	176.6	0	0	0	0	0	121.6
109	Q	36	Very low	40.1	Very low	189 Å²	189	161.6 Å²	161.6	88%	0.883	82%	0.821	S	S	*	*			trans	-119.7	80.1	-175.7	-66.4	-158.5	18.2	0	0	114.6	C111	Q109-C111 PolarHBondContact O-N 3.49Å
110	V	37.7	Very low	42.3	Very low	140 Å²	140	156.7 Å²	156.7	85%	0.848	80%	0.799	S	S	*	*			trans	-78.7	101.4	167	-179.3	0	0	0	0	109.7	K112	V110-K112 PolarHBondContact O-N 3.25Å; V110-K112 VanDerWaalsContact O-N 3.15Å
111	C	34.7	Very low	44.7	Very low	110 Å²	110	151.1 Å²	151.1	74%	0.743	77%	0.765	S	S	*	*			trans	-54.6	120.1	175.8	-62.5	0	0	0	0	111.5	Q109 K113	Q109-C111 PolarHBondContact O-N 3.49Å; C111-K113 PolarHBondContact O-N 3.03Å
112	K	34.3	Very low	47.2	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	73%	0.731	S	S	*	*			trans	-65.9	90.8	-179.5	-68.5	173.1	-178.6	168.6	0	110.8	V110 K114	V110-K112 PolarHBondContact O-N 3.25Å; V110-K112 VanDerWaalsContact O-N 3.15Å; K112-K114 PolarHBondContact O-N 2.74Å
113	K	37.6	Very low	49.9	Very low	197 Å²	197	138.1 Å²	138.1	86%	0.857	69%	0.69	S	S	*	*			trans	-49.8	112.7	177	-69.9	-178.5	178.2	177.4	0	110.6	C111 R115	C111-K113 PolarHBondContact O-N 3.03Å; K113-R115 PolarHBondContact O-N 3.13Å; K113-R115 VanDerWaalsContact O-N 3.1Å
114	K	35.6	Very low	52.2	Low	207 Å²	207	129.1 Å²	129.1	90%	0.9	65%	0.651	S	S	*	*			trans	-52	117	-179.1	-71	-178.3	178.8	177.2	0	109.5	K112 K116	K112-K114 PolarHBondContact O-N 2.74Å; K114-K116 PolarHBondContact O-N 3.38Å; K114-K116 VanDerWaalsContact O-N 3.11Å
115	R	36.4	Very low	54.8	Low	239 Å²	239	126.8 Å²	126.8	90%	0.902	64%	0.635	S	S	*	*			trans	-66.5	110.8	-177.4	-68.5	171.1	71	172.3	1.1	108.9	K113 K117	K113-R115 PolarHBondContact O-N 3.13Å; K113-R115 VanDerWaalsContact O-N 3.1Å; R115-K117 PolarHBondContact O-N 3.07Å; R115-K117 VanDerWaalsContact O-N 3.15Å
116	K	43.1	Very low	56.9	Low	202 Å²	202	123.8 Å²	123.8	88%	0.878	61%	0.613	S	S	*	*			trans	-49.3	121.7	175.5	-68.8	-170.2	175.2	-170.9	0	109.7	K114 K118	K114-K116 PolarHBondContact O-N 3.38Å; K114-K116 VanDerWaalsContact O-N 3.11Å; K116-K118 PolarHBondContact O-N 3.28Å
117	K	51	Low	59.2	Low	193 Å²	193	118.1 Å²	118.1	84%	0.839	58%	0.576	S	S	*	*			trans	-56.3	133.4	171.7	-74.4	-177.6	177.2	178.5	0	107.7	R115 H119	R115-K117 PolarHBondContact O-N 3.07Å; R115-K117 VanDerWaalsContact O-N 3.15Å; K117-H119 PolarHBondContact O-N 3.23Å
118	K	57.6	Low	61.9	Low	191 Å²	191	114.9 Å²	114.9	83%	0.83	56%	0.559	S	S	*	*			trans	-82.9	111.7	174.7	-71.4	-170.3	174.5	-168.8	0	108	K116	K116-K118 PolarHBondContact O-N 3.28Å
119	H	64.8	Low	64.6	Low	137 Å²	137	111.9 Å²	111.9	63%	0.634	52%	0.524	S	S	*	.			trans	-58.8	140.3	171.1	-64.2	-87.6	0	0	0	110.1	K117	K117-H119 PolarHBondContact O-N 3.23Å
120	L	81.9	Confident	67.2	Low	36 Å²	36	107.5 Å²	107.5	19%	0.188	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	150.8	165.4	-63.6	174.1	0	0	0	108.3	F141 R142 F451	L120-F141 HydrophobicContact CB-CD1 3.45Å; L120-F141 VanDerWaalsContact CB-CD1 3.45Å; L120-F141 HydrophobicContact CB-CD2 4.45Å; L120-F141 HydrophobicContact CB-CE1 3.52Å; L120-F141 HydrophobicContact CB-CE2 4.48Å; L120-F141 HydrophobicContact CB-CG 3.97Å; L120-F141 HydrophobicContact CB-CZ 4.06Å; L120-F141 HydrophobicContact CD1-CE1 4.09Å; L120-F141 HydrophobicContact CD1-CE2 4.05Å; L120-F141 HydrophobicContact CD1-CZ 3.77Å; L120-F141 HydrophobicContact CG-CE1 4.41Å; L120-F141 CarbonylContact O-C 3.6Å; L120-F141 WeakPolarHBondContact O-CA 3.49Å; L120-R142 PolarHBondContact O-N 2.89Å; L120-F451 HydrophobicContact CD1-CB 3.77Å; L120-F451 HydrophobicContact CD1-CG 4.42Å; L120-F451 HydrophobicContact CD2-CB 4.41Å
121	V	87.5	Confident	69.8	Low	25 Å²	25	100.9 Å²	100.9	15%	0.152	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128	-174.7	-178.7	0	0	0	0	109.1	T144 W150 C151 L152	V121-T144 HydrophobicContact CG1-CG2 3.49Å; V121-T144 VanDerWaalsContact CG1-CG2 3.49Å; V121-T144 WeakPolarHBondContact CG1-OG1 3.17Å; V121-W150 HydrophobicContact CG1-CB 4.24Å; V121-C151 WeakPolarHBondContact O-CA 3.26Å; V121-C151 WeakPolarHBondContact O-CB 3.38Å; V121-C151 PolarHBondContact O-N 3.19Å; V121-L152 PolarHBondContact O-N 2.95Å
122	V	90.2	Very high	72.5	Confident	2 Å²	2	95.7 Å²	95.7	1%	0.012	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.5	177.6	66	0	0	0	0	111.1	L124 L136 F141 R142 E143 T144 L152	V122-L124 HydrophobicContact CG1-CD1 4.25Å; V122-L124 HydrophobicContact CG1-CD2 4.42Å; V122-L124 HydrophobicContact CG1-CG 4.07Å; V122-L124 HydrophobicContact CG2-CD2 3.52Å; V122-L124 HydrophobicContact CG2-CG 3.94Å; V122-L136 HydrophobicContact CG1-CD1 4.48Å; V122-L136 HydrophobicContact CG2-CD1 4.11Å; V122-F141 HydrophobicContact CB-CB 4.28Å; V122-F141 HydrophobicContact CB-CD1 3.76Å; V122-F141 HydrophobicContact CB-CE1 4.45Å; V122-F141 HydrophobicContact CB-CG 4.31Å; V122-F141 HydrophobicContact CG1-CB 3.79Å; V122-F141 HydrophobicContact CG1-CD1 4.23Å; V122-F141 HydrophobicContact CG1-CG 4.32Å; V122-R142 PolarHBondContact N-O 3.45Å; V122-E143 CarbonylContact O-C 3.6Å; V122-E143 WeakPolarHBondContact O-CA 3.45Å; V122-T144 PolarHBondContact O-N 2.78Å; V122-T144 PolarHBondContact O-OG1 3.38Å; V122-L152 CarbonylContact C-O 3.53Å; V122-L152 WeakPolarHBondContact CA-O 3.29Å; V122-L152 HydrophobicContact CB-CB 4.22Å; V122-L152 HydrophobicContact CG2-CB 3.85Å; V122-L152 HydrophobicContact CG2-CD2 3.8Å; V122-L152 HydrophobicContact CG2-CG 3.73Å
123	N	90.9	Very high	75.3	Confident	1 Å²	1	88.8 Å²	88.8	1%	0.005	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126	166.2	176.8	-62.6	0	0	0	109	S125 T144 E145 D146 W150 L152 Y153 W154	N123-S125 PolarHBondContact OD1-N 3.38Å; N123-S125 PolarHBondContact OD1-OG 3.3Å; N123-T144 WeakPolarHBondContact CA-O 3.41Å; N123-E145 VanDerWaalsContact ND2-C 3.29Å; N123-E145 PolarHBondContact ND2-O 2.99Å; N123-D146 WeakPolarHBondContact ND2-CA 3.42Å; N123-D146 PolarHBondContact ND2-N 3.25Å; N123-D146 PolarHBondContact ND2-OD1 3.25Å; N123-D146 PolarHBondContact OD1-OD1 3.39Å; N123-W150 HydrophobicContact CB-CB 4.12Å; N123-W150 HydrophobicContact CB-CG 4.06Å; N123-L152 PolarHBondContact N-O 2.82Å; N123-Y153 HydrophobicContact CB-CD2 4.02Å; N123-Y153 VanDerWaalsContact OD1-CD2 3.3Å; N123-Y153 WeakPolarHBondContact OD1-CD2 3.23Å; N123-Y153 WeakPolarHBondContact OD1-CE2 3.47Å; N123-W154 PolarHBondContact O-N 3.16Å
124	L	90	Very high	77.8	Confident	4 Å²	4	82.8 Å²	82.8	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	18.1	-177.6	-60.1	-176.5	0	0	0	112.4	V122 N126 C127 V132 R133 L136 E143 W154	V122-L124 HydrophobicContact CG1-CD1 4.25Å; V122-L124 HydrophobicContact CG1-CD2 4.42Å; V122-L124 HydrophobicContact CG1-CG 4.07Å; V122-L124 HydrophobicContact CG2-CD2 3.52Å; V122-L124 HydrophobicContact CG2-CG 3.94Å; L124-N126 PolarHBondContact O-N 2.86Å; L124-C127 HydrophobicContact CB-CB 4.43Å; L124-C127 PolarHBondContact O-N 3.46Å; L124-V132 HydrophobicContact CD2-CG1 4.39Å; L124-R133 HydrophobicContact CD1-CG 3.83Å; L124-L136 HydrophobicContact CD1-CD1 4.23Å; L124-L136 HydrophobicContact CD2-CD1 3.77Å; L124-E143 HydrophobicContact CB-CG 4.26Å; L124-E143 WeakPolarHBondContact CB-OE1 3.34Å; L124-E143 HydrophobicContact CD1-CG 4.12Å; L124-E143 HydrophobicContact CG-CG 4.26Å; L124-W154 HydrophobicContact CD2-CB 3.59Å; L124-W154 HydrophobicContact CD2-CG 4.35Å
125	S	88.3	Confident	80.5	Confident	63 Å²	63	73 Å²	73	44%	0.441	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	-20.6	-173.9	65.1	0	0	0	0	113.8	N123 D146	N123-S125 PolarHBondContact OD1-N 3.38Å; N123-S125 PolarHBondContact OD1-OG 3.3Å; S125-D146 VanDerWaalsContact CB-OD1 3.23Å; S125-D146 WeakPolarHBondContact CB-OD1 3.49Å; S125-D146 PolarHBondContact OG-OD1 3.5Å
126	N	87.3	Confident	83.1	Confident	54 Å²	54	61.9 Å²	61.9	29%	0.289	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	25.1	-179.8	-75.3	-103.4	0	0	0	112.8	L124 Y153 T155 D156 Y157	L124-N126 PolarHBondContact O-N 2.86Å; N126-Y153 WeakPolarHBondContact CB-OH 3.31Å; N126-Y153 PolarHBondContact ND2-OH 2.87Å; N126-T155 WeakPolarHBondContact O-CA 3.35Å; N126-D156 PolarHBondContact O-N 3.1Å; N126-Y157 HydrophobicContact CB-CD2 4.29Å; N126-Y157 HydrophobicContact CB-CE2 4.47Å
127	C	90.1	Very high	85.3	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.061	28%	0.277	C	S	.	.			trans	-121.5	127.8	175	-168.4	0	0	0	0	112.4	L124 R133 W154 D156	L124-C127 HydrophobicContact CB-CB 4.43Å; L124-C127 PolarHBondContact O-N 3.46Å; C127-R133 PolarHBondContact O-NH2 2.97Å; C127-W154 VanDerWaalsContact SG-CD1 3.53Å; C127-D156 PolarHBondContact SG-OD1 2.97Å
128	K	91	Very high	87.1	Confident	133 Å²	133	54.2 Å²	54.2	58%	0.578	25%	0.249	S	C	*	.			trans	-99.6	-8.4	178.5	80	-144.5	165.5	-147.2	0	114.4	D156	K128-D156 WeakPolarHBondContact CD-OD2 3.17Å; K128-D156 VanDerWaalsContact CE-OD2 3.24Å; K128-D156 WeakPolarHBondContact CE-OD2 3.47Å; K128-D156 VanDerWaalsContact CG-OD2 3.22Å; K128-D156 WeakPolarHBondContact CG-OD2 3.28Å; K128-D156 PolarHBondContact N-OD2 3.11Å; K128-D156 IonicContact NZ-OD2 2.73Å; K128-D156 PolarHBondContact NZ-OD2 3.45Å
129	Y	91.6	Very high	88.4	Confident	14 Å²	14	47.5 Å²	47.5	6%	0.055	22%	0.22	C	C	.	.			trans	-92	118.2	-168	-57.7	-74.4	0	0	0	112.5	S131 V132 D156 F427 T428	Y129-S131 VanDerWaalsContact C-N 3.29Å; Y129-S131 PolarHBondContact O-N 3.42Å; Y129-V132 WeakPolarHBondContact O-CB 3.43Å; Y129-V132 PolarHBondContact O-N 3.05Å; Y129-V132 VanDerWaalsContact O-N 3.11Å; Y129-D156 VanDerWaalsContact CD2-OD1 3.23Å; Y129-D156 WeakPolarHBondContact CD2-OD1 3.18Å; Y129-D156 WeakPolarHBondContact CD2-OD2 3.44Å; Y129-D156 HydrophobicContact CE2-CB 4.29Å; Y129-D156 WeakPolarHBondContact CE2-OD1 3.34Å; Y129-D156 WeakPolarHBondContact CE2-OD2 3.23Å; Y129-F427 HydrophobicContact CD1-CB 3.98Å; Y129-F427 HydrophobicContact CD2-CB 3.99Å; Y129-F427 AromaticContact CD2-CD2 3.61Å; Y129-F427 HydrophobicContact CD2-CD2 3.61Å; Y129-F427 HydrophobicContact CD2-CG 4.3Å; Y129-F427 HydrophobicContact CE1-CB 4.43Å; Y129-F427 HydrophobicContact CE2-CB 4.4Å; Y129-F427 AromaticContact CE2-CD2 3.68Å; Y129-F427 HydrophobicContact CE2-CD2 3.68Å; Y129-F427 HydrophobicContact CE2-CE2 4.49Å; Y129-F427 HydrophobicContact CE2-CG 4.48Å; Y129-F427 HydrophobicContact CG-CB 3.73Å; Y129-F427 HydrophobicContact CG-CD2 4.25Å; Y129-T428 WeakPolarHBondContact CE1-OG1 3.33Å
130	E	90.3	Very high	89.4	Confident	96 Å²	96	42.5 Å²	42.5	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-71.6	-22	-175.1	-160.2	51	-143.8	0	0	114.2	V132 R133 R134	E130-V132 VanDerWaalsContact C-N 3.29Å; E130-V132 PolarHBondContact O-N 3.22Å; E130-R133 PolarHBondContact O-N 3.24Å; E130-R133 WeakPolarHBondContact OE1-CB 3.23Å; E130-R133 WeakPolarHBondContact OE2-CD 3.41Å; E130-R133 IonicContact OE2-CZ 2.74Å; E130-R133 IonicContact OE2-NH1 3.17Å; E130-R133 PolarHBondContact OE2-NH1 3.46Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.49Å
131	S	91.2	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-39.1	168.7	43.1	0	0	0	0	112.5	Y129 V135 F427	Y129-S131 VanDerWaalsContact C-N 3.29Å; Y129-S131 PolarHBondContact O-N 3.42Å; S131-V135 WeakPolarHBondContact O-CG2 3.47Å; S131-V135 PolarHBondContact O-N 2.85Å; S131-V135 VanDerWaalsContact O-N 3.1Å; S131-F427 PolarHBondContact OG-O 3.03Å
132	V	92.6	Very high	89.6	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-42.1	177.2	177.9	0	0	0	0	110.5	L124 Y129 E130 L136 W154 F427 L442	L124-V132 HydrophobicContact CD2-CG1 4.39Å; Y129-V132 WeakPolarHBondContact O-CB 3.43Å; Y129-V132 PolarHBondContact O-N 3.05Å; Y129-V132 VanDerWaalsContact O-N 3.11Å; E130-V132 VanDerWaalsContact C-N 3.29Å; E130-V132 PolarHBondContact O-N 3.22Å; V132-L136 HydrophobicContact CG1-CD1 3.65Å; V132-L136 HydrophobicContact CG1-CG 4.46Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 WeakPolarHBondContact O-CD1 3.49Å; V132-L136 VanDerWaalsContact O-CG 3.3Å; V132-L136 WeakPolarHBondContact O-CG 3.32Å; V132-L136 PolarHBondContact O-N 2.92Å; V132-L136 VanDerWaalsContact O-N 3.08Å; V132-W154 HydrophobicContact CG1-CD2 3.87Å; V132-W154 HydrophobicContact CG1-CE3 4.39Å; V132-W154 HydrophobicContact CG1-CG 4.08Å; V132-W154 HydrophobicContact CG1-CZ2 4.29Å; V132-W154 HydrophobicContact CG2-CZ2 4Å; V132-F427 HydrophobicContact CG2-CB 4.4Å; V132-F427 HydrophobicContact CG2-CD2 4.22Å; V132-F427 HydrophobicContact CG2-CG 4.41Å; V132-L442 HydrophobicContact CG2-CD1 3.86Å; V132-L442 HydrophobicContact CG2-CD2 4.21Å
133	R	92.9	Very high	89.5	Confident	60 Å²	60	50.7 Å²	50.7	23%	0.226	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-51.5	173.8	-70.3	-158.7	-179	73.3	16.6	112.3	L124 C127 E130 V135 L136 K137 E143	L124-R133 HydrophobicContact CD1-CG 3.83Å; C127-R133 PolarHBondContact O-NH2 2.97Å; E130-R133 PolarHBondContact O-N 3.24Å; E130-R133 WeakPolarHBondContact OE1-CB 3.23Å; E130-R133 WeakPolarHBondContact OE2-CD 3.41Å; E130-R133 IonicContact OE2-CZ 2.74Å; E130-R133 IonicContact OE2-NH1 3.17Å; E130-R133 PolarHBondContact OE2-NH1 3.46Å; R133-V135 PolarHBondContact O-N 2.98Å; R133-L136 PolarHBondContact O-N 3.48Å; R133-K137 VanDerWaalsContact O-CB 3.28Å; R133-K137 WeakPolarHBondContact O-CB 3.24Å; R133-K137 PolarHBondContact O-N 3.43Å; R133-E143 IonicContact CZ-OE1 2.62Å; R133-E143 IonicContact NE-OE1 2.76Å; R133-E143 PolarHBondContact NE-OE1 3.25Å; R133-E143 IonicContact NE-OE2 3.15Å; R133-E143 IonicContact NH2-OE1 3.89Å
134	R	90.9	Very high	89.3	Confident	71 Å²	71	51.1 Å²	51.1	27%	0.268	24%	0.239	S	C	.	.	H	α-helix	trans	-55.6	-50.1	-179.8	-71.4	-169.9	-59.8	-94.8	9.5	112	E130 K137 R138 T429 E439	E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.49Å; R134-K137 PolarHBondContact O-N 3.45Å; R134-R138 WeakPolarHBondContact O-CG 3.38Å; R134-R138 PolarHBondContact O-N 2.83Å; R134-T429 PolarHBondContact NH2-OG1 3.31Å; R134-E439 IonicContact CZ-OE1 3.16Å; R134-E439 IonicContact NE-OE1 2.81Å; R134-E439 PolarHBondContact NE-OE1 2.85Å; R134-E439 IonicContact NH2-OE1 2.77Å; R134-E439 PolarHBondContact NH2-OE1 3.38Å
135	V	91.5	Very high	88.7	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-45.6	-178.4	170.5	0	0	0	0	112.1	S131 R133 K137 R138 F139 E439 L442 W443	S131-V135 WeakPolarHBondContact O-CG2 3.47Å; S131-V135 PolarHBondContact O-N 2.85Å; S131-V135 VanDerWaalsContact O-N 3.1Å; R133-V135 PolarHBondContact O-N 2.98Å; V135-K137 PolarHBondContact O-N 3.16Å; V135-R138 PolarHBondContact O-N 2.77Å; V135-F139 PolarHBondContact O-N 2.76Å; V135-E439 HydrophobicContact CG2-CB 3.96Å; V135-E439 HydrophobicContact CG2-CG 3.98Å; V135-L442 HydrophobicContact CB-CB 4.25Å; V135-L442 HydrophobicContact CG1-CB 3.94Å; V135-L442 HydrophobicContact CG2-CB 4.07Å; V135-W443 HydrophobicContact CG1-CB 4.13Å; V135-W443 HydrophobicContact CG1-CE3 4.4Å
136	L	90.9	Very high	87.8	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-35.8	179.7	-70.1	169.3	0	0	0	112.4	V122 L124 V132 R133 F139 G140 F141 L152 V446	V122-L136 HydrophobicContact CG1-CD1 4.48Å; V122-L136 HydrophobicContact CG2-CD1 4.11Å; L124-L136 HydrophobicContact CD1-CD1 4.23Å; L124-L136 HydrophobicContact CD2-CD1 3.77Å; V132-L136 HydrophobicContact CG1-CD1 3.65Å; V132-L136 HydrophobicContact CG1-CG 4.46Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 WeakPolarHBondContact O-CD1 3.49Å; V132-L136 VanDerWaalsContact O-CG 3.3Å; V132-L136 WeakPolarHBondContact O-CG 3.32Å; V132-L136 PolarHBondContact O-N 2.92Å; V132-L136 VanDerWaalsContact O-N 3.08Å; R133-L136 PolarHBondContact O-N 3.48Å; L136-F139 PolarHBondContact O-N 3.38Å; L136-G140 PolarHBondContact O-N 2.9Å; L136-F141 HydrophobicContact CB-CB 4.35Å; L136-F141 HydrophobicContact CB-CD2 4.36Å; L136-F141 HydrophobicContact CD2-CD2 3.79Å; L136-F141 HydrophobicContact CD2-CE2 3.84Å; L136-F141 HydrophobicContact CD2-CG 4.34Å; L136-F141 HydrophobicContact CD2-CZ 4.4Å; L136-F141 WeakPolarHBondContact O-CB 3.42Å; L136-F141 PolarHBondContact O-N 2.75Å; L136-L152 HydrophobicContact CD1-CD2 4.41Å; L136-L152 HydrophobicContact CD2-CD2 3.83Å; L136-V446 HydrophobicContact CD2-CG1 4.25Å; L136-V446 HydrophobicContact CD2-CG2 3.72Å
137	K	90.2	Very high	86.8	Confident	168 Å²	168	65.7 Å²	65.7	73%	0.73	31%	0.306	S	S	*	.	H	α-helix	trans	-62.3	-47.5	172.9	-174.3	-177.5	176.3	-171.5	0	111.1	R133 R134 V135 F139 G140	R133-K137 VanDerWaalsContact O-CB 3.28Å; R133-K137 WeakPolarHBondContact O-CB 3.24Å; R133-K137 PolarHBondContact O-N 3.43Å; R134-K137 PolarHBondContact O-N 3.45Å; V135-K137 PolarHBondContact O-N 3.16Å; K137-F139 VanDerWaalsContact C-N 3.31Å; K137-F139 PolarHBondContact O-N 3.46Å; K137-G140 WeakPolarHBondContact O-CA 3.32Å; K137-G140 PolarHBondContact O-N 3.12Å
138	R	88.2	Confident	86	Confident	67 Å²	67	69.5 Å²	69.5	25%	0.253	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-38	174.6	-75	178.8	178	154.9	-6.7	112.7	D70 R134 V135 G140 E439 W443	D70-R138 IonicContact OD1-NE 2.68Å; D70-R138 PolarHBondContact OD1-NE 3.39Å; D70-R138 IonicContact OD2-CZ 3.02Å; D70-R138 IonicContact OD2-NE 3.31Å; D70-R138 PolarHBondContact OD2-NE 3.07Å; D70-R138 IonicContact OD2-NH2 3.29Å; D70-R138 PolarHBondContact OD2-NH2 3.37Å; R134-R138 WeakPolarHBondContact O-CG 3.38Å; R134-R138 PolarHBondContact O-N 2.83Å; V135-R138 PolarHBondContact O-N 2.77Å; R138-G140 PolarHBondContact O-N 3.08Å; R138-E439 IonicContact CZ-OE2 2.82Å; R138-E439 IonicContact NH1-OE2 3.22Å; R138-E439 PolarHBondContact NH1-OE2 3.01Å; R138-W443 HydrophobicContact CB-CZ3 3.95Å
139	F	85.4	Confident	85.6	Confident	49 Å²	49	66.3 Å²	66.3	22%	0.215	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.3	175	-153.6	-86.8	0	0	0	113.4	V135 L136 K137 F141 W443 V446 Q447	V135-F139 PolarHBondContact O-N 2.76Å; L136-F139 PolarHBondContact O-N 3.38Å; K137-F139 VanDerWaalsContact C-N 3.31Å; K137-F139 PolarHBondContact O-N 3.46Å; F139-F141 HydrophobicContact CB-CD2 4.18Å; F139-F141 HydrophobicContact CB-CE2 4.38Å; F139-F141 HydrophobicContact CD1-CD2 4.08Å; F139-F141 AromaticContact CD1-CE2 3.61Å; F139-F141 HydrophobicContact CD1-CE2 3.61Å; F139-F141 HydrophobicContact CE1-CE2 4.31Å; F139-F141 HydrophobicContact CG-CE2 4.32Å; F139-W443 HydrophobicContact CB-CZ3 4.13Å; F139-W443 HydrophobicContact CD2-CD2 4.43Å; F139-W443 HydrophobicContact CD2-CE3 4.06Å; F139-W443 HydrophobicContact CD2-CH2 4.07Å; F139-W443 HydrophobicContact CD2-CZ2 4.42Å; F139-W443 AromaticContact CD2-CZ3 3.88Å; F139-W443 HydrophobicContact CD2-CZ3 3.88Å; F139-W443 HydrophobicContact CG-CZ3 4.48Å; F139-V446 HydrophobicContact CB-CG1 4.15Å; F139-V446 HydrophobicContact CD1-CG1 3.6Å; F139-V446 HydrophobicContact CD2-CB 4.37Å; F139-V446 HydrophobicContact CD2-CG1 3.66Å; F139-V446 HydrophobicContact CE1-CG1 3.79Å; F139-V446 HydrophobicContact CE2-CB 4.47Å; F139-V446 HydrophobicContact CE2-CG1 3.85Å; F139-V446 HydrophobicContact CG-CG1 3.53Å; F139-V446 HydrophobicContact CZ-CG1 3.91Å; F139-Q447 HydrophobicContact CE2-CB 4.22Å
140	G	85.9	Confident	85.4	Confident	32 Å²	32	67.3 Å²	67.3	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	18.9	173.9	0	0	0	0	0	115.6	L136 K137 R138	L136-G140 PolarHBondContact O-N 2.9Å; K137-G140 WeakPolarHBondContact O-CA 3.32Å; K137-G140 PolarHBondContact O-N 3.12Å; R138-G140 PolarHBondContact O-N 3.08Å
141	F	86.9	Confident	85.2	Confident	14 Å²	14	63.9 Å²	63.9	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.7	170.2	-74.3	-99	0	0	0	111.8	L120 V122 L136 F139 L152 V446 F451	L120-F141 HydrophobicContact CB-CD1 3.45Å; L120-F141 VanDerWaalsContact CB-CD1 3.45Å; L120-F141 HydrophobicContact CB-CD2 4.45Å; L120-F141 HydrophobicContact CB-CE1 3.52Å; L120-F141 HydrophobicContact CB-CE2 4.48Å; L120-F141 HydrophobicContact CB-CG 3.97Å; L120-F141 HydrophobicContact CB-CZ 4.06Å; L120-F141 HydrophobicContact CD1-CE1 4.09Å; L120-F141 HydrophobicContact CD1-CE2 4.05Å; L120-F141 HydrophobicContact CD1-CZ 3.77Å; L120-F141 HydrophobicContact CG-CE1 4.41Å; L120-F141 CarbonylContact O-C 3.6Å; L120-F141 WeakPolarHBondContact O-CA 3.49Å; V122-F141 HydrophobicContact CB-CB 4.28Å; V122-F141 HydrophobicContact CB-CD1 3.76Å; V122-F141 HydrophobicContact CB-CE1 4.45Å; V122-F141 HydrophobicContact CB-CG 4.31Å; V122-F141 HydrophobicContact CG1-CB 3.79Å; V122-F141 HydrophobicContact CG1-CD1 4.23Å; V122-F141 HydrophobicContact CG1-CG 4.32Å; L136-F141 HydrophobicContact CB-CB 4.35Å; L136-F141 HydrophobicContact CB-CD2 4.36Å; L136-F141 HydrophobicContact CD2-CD2 3.79Å; L136-F141 HydrophobicContact CD2-CE2 3.84Å; L136-F141 HydrophobicContact CD2-CG 4.34Å; L136-F141 HydrophobicContact CD2-CZ 4.4Å; L136-F141 WeakPolarHBondContact O-CB 3.42Å; L136-F141 PolarHBondContact O-N 2.75Å; F139-F141 HydrophobicContact CB-CD2 4.18Å; F139-F141 HydrophobicContact CB-CE2 4.38Å; F139-F141 HydrophobicContact CD1-CD2 4.08Å; F139-F141 AromaticContact CD1-CE2 3.61Å; F139-F141 HydrophobicContact CD1-CE2 3.61Å; F139-F141 HydrophobicContact CE1-CE2 4.31Å; F139-F141 HydrophobicContact CG-CE2 4.32Å; F141-L152 HydrophobicContact CE1-CB 3.96Å; F141-L152 HydrophobicContact CE1-CD2 4.2Å; F141-L152 HydrophobicContact CZ-CD2 4.24Å; F141-V446 HydrophobicContact CE2-CG1 3.77Å; F141-V446 HydrophobicContact CZ-CG1 4.46Å; F141-F451 HydrophobicContact CE2-CD2 4.43Å; F141-F451 HydrophobicContact CZ-CD1 4.14Å; F141-F451 AromaticContact CZ-CD2 3.78Å; F141-F451 HydrophobicContact CZ-CD2 3.78Å; F141-F451 HydrophobicContact CZ-CE1 4.23Å; F141-F451 AromaticContact CZ-CE2 3.88Å; F141-F451 HydrophobicContact CZ-CE2 3.88Å; F141-F451 AromaticContact CZ-CG 3.92Å; F141-F451 HydrophobicContact CZ-CG 3.92Å; F141-F451 HydrophobicContact CZ-CZ 4.12Å
142	R	86.2	Confident	85.2	Confident	127 Å²	127	63.9 Å²	63.9	48%	0.479	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.4	164	175.7	172.6	171.9	-98.9	-0.8	109.4	L120 V122 E148	L120-R142 PolarHBondContact O-N 2.89Å; V122-R142 PolarHBondContact N-O 3.45Å; R142-E148 IonicContact CZ-OE1 3.95Å; R142-E148 IonicContact CZ-OE2 3.2Å; R142-E148 IonicContact NH1-OE1 2.95Å; R142-E148 PolarHBondContact NH1-OE1 2.99Å; R142-E148 IonicContact NH1-OE2 3.92Å; R142-E148 PolarHBondContact NH1-OE2 3.3Å; R142-E148 IonicContact NH2-OE1 3.61Å; R142-E148 PolarHBondContact NH2-OE1 3.28Å; R142-E148 IonicContact NH2-OE2 2.74Å
143	E	88.2	Confident	85.1	Confident	94 Å²	94	64.1 Å²	64.1	44%	0.439	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	144.3	171.4	-170.1	167.1	-166.9	0	0	110.4	V122 L124 R133	V122-E143 CarbonylContact O-C 3.6Å; V122-E143 WeakPolarHBondContact O-CA 3.45Å; L124-E143 HydrophobicContact CB-CG 4.26Å; L124-E143 WeakPolarHBondContact CB-OE1 3.34Å; L124-E143 HydrophobicContact CD1-CG 4.12Å; L124-E143 HydrophobicContact CG-CG 4.26Å; R133-E143 IonicContact CZ-OE1 2.62Å; R133-E143 IonicContact NE-OE1 2.76Å; R133-E143 PolarHBondContact NE-OE1 3.25Å; R133-E143 IonicContact NE-OE2 3.15Å; R133-E143 IonicContact NH2-OE1 3.89Å
144	T	85.1	Confident	85.1	Confident	11 Å²	11	61.4 Å²	61.4	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.6	-175.3	45.1	0	0	0	0	112	V121 V122 N123 E148	V121-T144 HydrophobicContact CG1-CG2 3.49Å; V121-T144 VanDerWaalsContact CG1-CG2 3.49Å; V121-T144 WeakPolarHBondContact CG1-OG1 3.17Å; V122-T144 PolarHBondContact O-N 2.78Å; V122-T144 PolarHBondContact O-OG1 3.38Å; N123-T144 WeakPolarHBondContact CA-O 3.41Å; T144-E148 HydrophobicContact CG2-CB 3.93Å; T144-E148 HydrophobicContact CG2-CG 4.36Å; T144-E148 WeakPolarHBondContact CG2-OE2 3.26Å
145	E	78	Confident	85.1	Confident	163 Å²	163	58.3 Å²	58.3	76%	0.762	28%	0.282	S	S	*	.			trans	-82	178.6	176.3	-62.7	177.4	-167.7	0	0	112	N123 D147 E148	N123-E145 VanDerWaalsContact ND2-C 3.29Å; N123-E145 PolarHBondContact ND2-O 2.99Å; E145-D147 VanDerWaalsContact C-N 3.26Å; E145-D147 PolarHBondContact O-N 2.86Å; E145-E148 PolarHBondContact O-N 3.45Å
146	D	70.4	Confident	85	Confident	94 Å²	94	58.7 Å²	58.7	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.9	-171.2	-82.6	17.9	0	0	0	114.7	N123 S125	N123-D146 WeakPolarHBondContact ND2-CA 3.42Å; N123-D146 PolarHBondContact ND2-N 3.25Å; N123-D146 PolarHBondContact ND2-OD1 3.25Å; N123-D146 PolarHBondContact OD1-OD1 3.39Å; S125-D146 VanDerWaalsContact CB-OD1 3.23Å; S125-D146 WeakPolarHBondContact CB-OD1 3.49Å; S125-D146 PolarHBondContact OG-OD1 3.5Å
147	D	66.2	Low	84.8	Confident	170 Å²	170	65.8 Å²	65.8	91%	0.909	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.9	180	-78.4	-39.6	0	0	0	114.7	E145	E145-D147 VanDerWaalsContact C-N 3.26Å; E145-D147 PolarHBondContact O-N 2.86Å
148	E	72.6	Confident	84.5	Confident	88 Å²	88	61.3 Å²	61.3	41%	0.411	30%	0.301	S	S	.	.	S	Bend	trans	-87.2	155.5	178.8	-86.5	-157.3	-139.5	0	0	113.1	R142 T144 E145 W150	R142-E148 IonicContact CZ-OE1 3.95Å; R142-E148 IonicContact CZ-OE2 3.2Å; R142-E148 IonicContact NH1-OE1 2.95Å; R142-E148 PolarHBondContact NH1-OE1 2.99Å; R142-E148 IonicContact NH1-OE2 3.92Å; R142-E148 PolarHBondContact NH1-OE2 3.3Å; R142-E148 IonicContact NH2-OE1 3.61Å; R142-E148 PolarHBondContact NH2-OE1 3.28Å; R142-E148 IonicContact NH2-OE2 2.74Å; T144-E148 HydrophobicContact CG2-CB 3.93Å; T144-E148 HydrophobicContact CG2-CG 4.36Å; T144-E148 WeakPolarHBondContact CG2-OE2 3.26Å; E145-E148 PolarHBondContact O-N 3.45Å; E148-W150 VanDerWaalsContact O-CD1 3.32Å; E148-W150 PolarHBondContact O-N 2.74Å
149	D	82.6	Confident	84.2	Confident	67 Å²	67	59.3 Å²	59.3	36%	0.358	30%	0.297	S	S	.	.			trans	-90.1	70.9	-165.4	-161.2	17.6	0	0	0	113.2	K168 K456	D149-K168 IonicContact OD1-NZ 2.7Å; D149-K168 PolarHBondContact OD1-NZ 3.25Å; D149-K168 IonicContact OD2-NZ 3.42Å; D149-K456 PolarHBondContact O-NZ 2.92Å; D149-K456 IonicContact OD1-NZ 2.79Å; D149-K456 WeakPolarHBondContact OD2-CE 3.15Å; D149-K456 IonicContact OD2-NZ 3.17Å; D149-K456 PolarHBondContact OD2-NZ 2.77Å
150	W	87	Confident	84	Confident	35 Å²	35	61.2 Å²	61.2	13%	0.133	31%	0.312	C	S	.	.			trans	-62.3	159.4	-172.1	55.7	-95.2	0	0	0	116.6	V121 N123 E148 L152 Y153 M167 Q171	V121-W150 HydrophobicContact CG1-CB 4.24Å; N123-W150 HydrophobicContact CB-CB 4.12Å; N123-W150 HydrophobicContact CB-CG 4.06Å; E148-W150 VanDerWaalsContact O-CD1 3.32Å; E148-W150 PolarHBondContact O-N 2.74Å; W150-L152 VanDerWaalsContact CE3-C 3.49Å; W150-Y153 HydrophobicContact CH2-CG 4.37Å; W150-Y153 HydrophobicContact CZ2-CG 4.47Å; W150-M167 HydrophobicContact CH2-CE 4.31Å; W150-M167 HydrophobicContact CH2-CG 4.17Å; W150-M167 HydrophobicContact CZ3-CE 4.45Å; W150-Q171 VanDerWaalsContact CD2-NE2 3.31Å; W150-Q171 HydrophobicContact CE3-CB 4.17Å; W150-Q171 HydrophobicContact CE3-CG 3.94Å; W150-Q171 HydrophobicContact CH2-CB 4.06Å; W150-Q171 HydrophobicContact CH2-CG 4.29Å; W150-Q171 HydrophobicContact CZ3-CB 3.57Å; W150-Q171 HydrophobicContact CZ3-CG 3.8Å; W150-Q171 WeakPolarHBondContact O-CG 3.39Å; W150-Q171 PolarHBondContact O-NE2 3.46Å
151	C	87.3	Confident	83.7	Confident	24 Å²	24	63.2 Å²	63.2	16%	0.162	32%	0.315	C	S	.	.	S	Bend	trans	-106.1	-40.2	173.1	-62.3	0	0	0	0	112.5	V121 Q171 K172	V121-C151 WeakPolarHBondContact O-CA 3.26Å; V121-C151 WeakPolarHBondContact O-CB 3.38Å; V121-C151 PolarHBondContact O-N 3.19Å; C151-Q171 CarbonylContact O-C 3.53Å; C151-Q171 WeakPolarHBondContact O-CA 3.31Å; C151-K172 PolarHBondContact O-N 3.34Å
152	L	90.2	Very high	83.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.7	172.5	174.9	59.8	0	0	0	109.4	V121 V122 N123 L136 F141 W150 W154 F401 F451	V121-L152 PolarHBondContact O-N 2.95Å; V122-L152 CarbonylContact C-O 3.53Å; V122-L152 WeakPolarHBondContact CA-O 3.29Å; V122-L152 HydrophobicContact CB-CB 4.22Å; V122-L152 HydrophobicContact CG2-CB 3.85Å; V122-L152 HydrophobicContact CG2-CD2 3.8Å; V122-L152 HydrophobicContact CG2-CG 3.73Å; N123-L152 PolarHBondContact N-O 2.82Å; L136-L152 HydrophobicContact CD1-CD2 4.41Å; L136-L152 HydrophobicContact CD2-CD2 3.83Å; F141-L152 HydrophobicContact CE1-CB 3.96Å; F141-L152 HydrophobicContact CE1-CD2 4.2Å; F141-L152 HydrophobicContact CZ-CD2 4.24Å; W150-L152 VanDerWaalsContact CE3-C 3.49Å; L152-W154 HydrophobicContact CD2-CE3 4.45Å; L152-F401 HydrophobicContact CD1-CE1 3.76Å; L152-F401 HydrophobicContact CD1-CZ 3.76Å; L152-F451 HydrophobicContact CB-CE1 3.93Å; L152-F451 HydrophobicContact CB-CZ 4.38Å; L152-F451 HydrophobicContact CD1-CE1 4.06Å; L152-F451 HydrophobicContact CD1-CZ 4.02Å; L152-F451 HydrophobicContact CD2-CE1 4.28Å; L152-F451 HydrophobicContact CD2-CZ 3.88Å; L152-F451 HydrophobicContact CG-CE1 4.31Å; L152-F451 HydrophobicContact CG-CZ 4.32Å
153	Y	90.8	Very high	83.3	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.027	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.2	165	173.7	-91.2	0	0	0	108.4	N123 N126 W150 T155 K163 K172 I173	N123-Y153 HydrophobicContact CB-CD2 4.02Å; N123-Y153 VanDerWaalsContact OD1-CD2 3.3Å; N123-Y153 WeakPolarHBondContact OD1-CD2 3.23Å; N123-Y153 WeakPolarHBondContact OD1-CE2 3.47Å; N126-Y153 WeakPolarHBondContact CB-OH 3.31Å; N126-Y153 PolarHBondContact ND2-OH 2.87Å; W150-Y153 HydrophobicContact CH2-CG 4.37Å; W150-Y153 HydrophobicContact CZ2-CG 4.47Å; Y153-T155 HydrophobicContact CD1-CG2 4.15Å; Y153-T155 HydrophobicContact CE1-CG2 3.51Å; Y153-K163 HydrophobicContact CE1-CD 4.49Å; Y153-K163 VanDerWaalsContact CE2-NZ 3.34Å; Y153-K163 PolarHBondContact OH-NZ 3.25Å; Y153-K172 PolarHBondContact N-O 3.17Å; Y153-I173 HydrophobicContact CD1-CD1 3.58Å; Y153-I173 HydrophobicContact CD1-CG1 3.94Å; Y153-I173 HydrophobicContact CE1-CD1 4.13Å
154	W	92.1	Very high	83.1	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.2	177.8	-166.6	-72	0	0	0	110.6	N123 L124 C127 V132 L152 N174 F401 I403 F427 L442	N123-W154 PolarHBondContact O-N 3.16Å; L124-W154 HydrophobicContact CD2-CB 3.59Å; L124-W154 HydrophobicContact CD2-CG 4.35Å; C127-W154 VanDerWaalsContact SG-CD1 3.53Å; V132-W154 HydrophobicContact CG1-CD2 3.87Å; V132-W154 HydrophobicContact CG1-CE3 4.39Å; V132-W154 HydrophobicContact CG1-CG 4.08Å; V132-W154 HydrophobicContact CG1-CZ2 4.29Å; V132-W154 HydrophobicContact CG2-CZ2 4Å; L152-W154 HydrophobicContact CD2-CE3 4.45Å; W154-N174 WeakPolarHBondContact CA-OD1 3.09Å; W154-N174 HydrophobicContact CD2-CB 4.02Å; W154-N174 HydrophobicContact CE3-CB 3.91Å; W154-N174 HydrophobicContact CZ3-CB 4.25Å; W154-N174 PolarHBondContact NE1-ND2 3.32Å; W154-F401 HydrophobicContact CE3-CZ 4.36Å; W154-F401 AromaticContact CZ3-CE2 3.9Å; W154-F401 HydrophobicContact CZ3-CE2 3.9Å; W154-F401 HydrophobicContact CZ3-CZ 4.12Å; W154-I403 HydrophobicContact CH2-CD1 3.89Å; W154-I403 HydrophobicContact CZ2-CD1 4.49Å; W154-F427 AromaticContact CZ2-CE2 3.95Å; W154-F427 HydrophobicContact CZ2-CE2 3.95Å; W154-F427 HydrophobicContact CZ2-CZ 4.2Å; W154-L442 HydrophobicContact CH2-CD2 3.52Å; W154-L442 HydrophobicContact CZ2-CD2 3.8Å
155	T	91.8	Very high	83	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.7	179.5	170.7	0	0	0	0	111	N126 Y153 Y157 V159 N174 H175	N126-T155 WeakPolarHBondContact O-CA 3.35Å; Y153-T155 HydrophobicContact CD1-CG2 4.15Å; Y153-T155 HydrophobicContact CE1-CG2 3.51Å; T155-Y157 VanDerWaalsContact C-N 3.28Å; T155-Y157 VanDerWaalsContact CG2-O 3.23Å; T155-Y157 WeakPolarHBondContact CG2-O 3.45Å; T155-Y157 PolarHBondContact OG1-N 2.84Å; T155-Y157 PolarHBondContact OG1-O 3.48Å; T155-V159 HydrophobicContact CG2-CG2 3.78Å; T155-N174 WeakPolarHBondContact CG2-OD1 3.27Å; T155-N174 PolarHBondContact N-OD1 2.86Å; T155-N174 PolarHBondContact O-ND2 3.49Å; T155-H175 PolarHBondContact O-NE2 3.44Å
156	D	89.9	Confident	83.3	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.059	32%	0.319	C	S	.	.	S	Bend	trans	-80.2	-14.3	170.6	-65.3	-4.8	0	0	0	111.9	N126 C127 K128 Y129 S424	N126-D156 PolarHBondContact O-N 3.1Å; C127-D156 PolarHBondContact SG-OD1 2.97Å; K128-D156 WeakPolarHBondContact CD-OD2 3.17Å; K128-D156 VanDerWaalsContact CE-OD2 3.24Å; K128-D156 WeakPolarHBondContact CE-OD2 3.47Å; K128-D156 VanDerWaalsContact CG-OD2 3.22Å; K128-D156 WeakPolarHBondContact CG-OD2 3.28Å; K128-D156 PolarHBondContact N-OD2 3.11Å; K128-D156 IonicContact NZ-OD2 2.73Å; K128-D156 PolarHBondContact NZ-OD2 3.45Å; Y129-D156 VanDerWaalsContact CD2-OD1 3.23Å; Y129-D156 WeakPolarHBondContact CD2-OD1 3.18Å; Y129-D156 WeakPolarHBondContact CD2-OD2 3.44Å; Y129-D156 HydrophobicContact CE2-CB 4.29Å; Y129-D156 WeakPolarHBondContact CE2-OD1 3.34Å; Y129-D156 WeakPolarHBondContact CE2-OD2 3.23Å; D156-S424 VanDerWaalsContact O-CB 3.24Å; D156-S424 WeakPolarHBondContact O-CB 3.12Å; D156-S424 PolarHBondContact O-OG 3.43Å; D156-S424 VanDerWaalsContact O-OG 3.07Å
157	Y	86.3	Confident	84	Confident	152 Å²	152	57 Å²	57	60%	0.596	30%	0.299	S	S	*	.	S	Bend	trans	-99.2	143.5	178.1	-49.1	-74.4	0	0	0	111.5	N126 T155	N126-Y157 HydrophobicContact CB-CD2 4.29Å; N126-Y157 HydrophobicContact CB-CE2 4.47Å; T155-Y157 VanDerWaalsContact C-N 3.28Å; T155-Y157 VanDerWaalsContact CG2-O 3.23Å; T155-Y157 WeakPolarHBondContact CG2-O 3.45Å; T155-Y157 PolarHBondContact OG1-N 2.84Å; T155-Y157 PolarHBondContact OG1-O 3.48Å
158	S	83.1	Confident	84.8	Confident	74 Å²	74	53 Å²	53	52%	0.517	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-55.1	143.7	166.7	59.5	0	0	0	0	112.2
159	V	82.2	Confident	85.3	Confident	26 Å²	26	50.4 Å²	50.4	16%	0.158	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-95.9	136.4	-168.7	-168.7	0	0	0	0	112.2	T155 K163 V164 I173 H175	T155-V159 HydrophobicContact CG2-CG2 3.78Å; V159-K163 HydrophobicContact CG1-CB 4.02Å; V159-K163 HydrophobicContact CG1-CG 4.43Å; V159-V164 HydrophobicContact CB-CG2 4.24Å; V159-V164 HydrophobicContact CG1-CG2 3.57Å; V159-I173 HydrophobicContact CB-CD1 4.33Å; V159-I173 HydrophobicContact CG1-CD1 3.83Å; V159-I173 HydrophobicContact CG2-CD1 3.62Å; V159-I173 HydrophobicContact CG2-CG1 4.1Å; V159-H175 HydrophobicContact CG2-CB 3.83Å
160	T	80.7	Confident	85.3	Confident	88 Å²	88	48.9 Å²	48.9	54%	0.54	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-77	143.1	170.9	56	0	0	0	0	111.6	D162 K163 V164	T160-D162 PolarHBondContact O-N 2.95Å; T160-D162 VanDerWaalsContact O-N 3.11Å; T160-K163 PolarHBondContact O-N 3.33Å; T160-V164 PolarHBondContact O-N 3.47Å
161	I	80.4	Confident	85.4	Confident	75 Å²	75	47.5 Å²	47.5	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-51.7	-37.6	179.7	-71.2	167.6	0	0	0	111.7	K163 V164 L165 P177	I161-K163 PolarHBondContact O-N 3.44Å; I161-V164 WeakPolarHBondContact O-CB 3.35Å; I161-V164 PolarHBondContact O-N 2.9Å; I161-V164 VanDerWaalsContact O-N 3.14Å; I161-L165 HydrophobicContact CG2-CD1 3.67Å; I161-L165 HydrophobicContact CG2-CG 4.11Å; I161-L165 WeakPolarHBondContact O-CG 3.35Å; I161-L165 PolarHBondContact O-N 3Å; I161-P177 HydrophobicContact CG1-CB 4.31Å
162	D	81.8	Confident	85.5	Confident	110 Å²	110	47.2 Å²	47.2	59%	0.588	24%	0.241	S	C	*	.	H	α-helix	trans	-59.7	-39.1	177.4	-53.3	-69.5	0	0	0	113.9	T160 V164 V166	T160-D162 PolarHBondContact O-N 2.95Å; T160-D162 VanDerWaalsContact O-N 3.11Å; D162-V164 VanDerWaalsContact C-N 3.33Å; D162-V166 WeakPolarHBondContact O-CG2 3.38Å
163	K	81.9	Confident	85.6	Confident	78 Å²	78	47.3 Å²	47.3	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-71.8	-33	177.6	-170.2	162	-171.9	164.3	0	110.9	Y153 V159 T160 I161	Y153-K163 HydrophobicContact CE1-CD 4.49Å; Y153-K163 VanDerWaalsContact CE2-NZ 3.34Å; Y153-K163 PolarHBondContact OH-NZ 3.25Å; V159-K163 HydrophobicContact CG1-CB 4.02Å; V159-K163 HydrophobicContact CG1-CG 4.43Å; T160-K163 PolarHBondContact O-N 3.33Å; I161-K163 PolarHBondContact O-N 3.44Å
164	V	84.2	Confident	85.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-46.2	176.7	-170.4	0	0	0	0	111.7	V159 T160 I161 D162 V166 M167 C390 F391	V159-V164 HydrophobicContact CB-CG2 4.24Å; V159-V164 HydrophobicContact CG1-CG2 3.57Å; T160-V164 PolarHBondContact O-N 3.47Å; I161-V164 WeakPolarHBondContact O-CB 3.35Å; I161-V164 PolarHBondContact O-N 2.9Å; I161-V164 VanDerWaalsContact O-N 3.14Å; D162-V164 VanDerWaalsContact C-N 3.33Å; V164-V166 PolarHBondContact O-N 3.44Å; V164-M167 HydrophobicContact CG1-SD 4.29Å; V164-M167 VanDerWaalsContact O-CB 3.29Å; V164-M167 WeakPolarHBondContact O-CB 3.46Å; V164-M167 WeakPolarHBondContact O-CG 3.36Å; V164-M167 PolarHBondContact O-N 2.85Å; V164-C390 HydrophobicContact CB-CB 4.41Å; V164-C390 HydrophobicContact CG1-CB 3.7Å; V164-F391 HydrophobicContact CB-CZ 4.5Å; V164-F391 HydrophobicContact CG1-CD1 4.34Å; V164-F391 HydrophobicContact CG1-CD2 4.24Å; V164-F391 HydrophobicContact CG1-CE1 3.53Å; V164-F391 HydrophobicContact CG1-CE2 3.4Å; V164-F391 HydrophobicContact CG1-CZ 3.03Å
165	L	83.5	Confident	85.8	Confident	62 Å²	62	47.5 Å²	47.5	33%	0.325	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.5	-179.3	-75.5	167.9	0	0	0	114.9	I161 R1053	I161-L165 HydrophobicContact CG2-CD1 3.67Å; I161-L165 HydrophobicContact CG2-CG 4.11Å; I161-L165 WeakPolarHBondContact O-CG 3.35Å; I161-L165 PolarHBondContact O-N 3Å; L165-R1053 PolarHBondContact O-NH1 3.46Å
166	V	83.8	Confident	85.8	Confident	104 Å²	104	47.6 Å²	47.6	63%	0.63	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-15.3	177.7	176.2	0	0	0	0	112.4	D162 V164	D162-V166 WeakPolarHBondContact O-CG2 3.38Å; V164-V166 PolarHBondContact O-N 3.44Å
167	M	84.8	Confident	85.7	Confident	16 Å²	16	47 Å²	47	8%	0.079	24%	0.24	C	C	.	.			trans	-61.6	152.9	-175.9	-67.1	179.4	61.3	0	0	113.7	W150 V164 Q171 I173 F391	W150-M167 HydrophobicContact CH2-CE 4.31Å; W150-M167 HydrophobicContact CH2-CG 4.17Å; W150-M167 HydrophobicContact CZ3-CE 4.45Å; V164-M167 HydrophobicContact CG1-SD 4.29Å; V164-M167 VanDerWaalsContact O-CB 3.29Å; V164-M167 WeakPolarHBondContact O-CB 3.46Å; V164-M167 WeakPolarHBondContact O-CG 3.36Å; V164-M167 PolarHBondContact O-N 2.85Å; M167-Q171 HydrophobicContact CE-CB 3.98Å; M167-Q171 WeakPolarHBondContact CE-O 3.37Å; M167-I173 HydrophobicContact CE-CB 3.85Å; M167-I173 HydrophobicContact CE-CG2 3.81Å; M167-I173 HydrophobicContact SD-CB 4.04Å; M167-I173 HydrophobicContact SD-CD1 4.21Å; M167-I173 HydrophobicContact SD-CG2 3.81Å; M167-F391 HydrophobicContact CB-CE1 4.33Å; M167-F391 HydrophobicContact CE-CE1 4.26Å; M167-F391 HydrophobicContact SD-CE1 3.93Å; M167-F391 HydrophobicContact SD-CZ 4.11Å
168	K	83.5	Confident	85.7	Confident	85 Å²	85	40.6 Å²	40.6	37%	0.37	22%	0.22	S	C	.	.			trans	-103.5	155.7	180	-53	170.9	-164.5	174.8	0	109.9	D149 W170 Q171 H394	D149-K168 IonicContact OD1-NZ 2.7Å; D149-K168 PolarHBondContact OD1-NZ 3.25Å; D149-K168 IonicContact OD2-NZ 3.42Å; K168-W170 HydrophobicContact CB-CD2 4.09Å; K168-W170 HydrophobicContact CB-CE3 4.01Å; K168-W170 HydrophobicContact CB-CH2 3.9Å; K168-W170 HydrophobicContact CB-CZ2 3.93Å; K168-W170 HydrophobicContact CB-CZ3 3.91Å; K168-W170 HydrophobicContact CD-CH2 3.5Å; K168-W170 VanDerWaalsContact CD-CH2 3.5Å; K168-W170 HydrophobicContact CD-CZ2 3.28Å; K168-W170 HydrophobicContact CD-CZ3 4.36Å; K168-W170 HydrophobicContact CG-CH2 4.2Å; K168-W170 HydrophobicContact CG-CZ2 4.21Å; K168-W170 PolarHBondContact O-N 3.25Å; K168-Q171 HydrophobicContact CB-CG 4.15Å; K168-Q171 WeakPolarHBondContact O-CB 3.46Å; K168-Q171 PolarHBondContact O-N 2.95Å; K168-H394 PolarHBondContact O-CE1 3.21Å
169	Q	82.8	Confident	86.1	Confident	34 Å²	34	37.3 Å²	37.3	16%	0.159	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.6	-171.1	-74.5	165.6	45.8	0	0	116.2	N393 H394 C459 E463 R466	Q169-N393 HydrophobicContact CG-CB 4.13Å; Q169-H394 VanDerWaalsContact CA-CE1 3.46Å; Q169-H394 WeakPolarHBondContact CA-CE1 3.38Å; Q169-C459 HydrophobicContact CB-CB 4.19Å; Q169-E463 PolarHBondContact NE2-OE2 3.06Å; Q169-R466 VanDerWaalsContact CD-NH1 3.35Å
170	W	82.9	Confident	86.3	Confident	35 Å²	35	38.5 Å²	38.5	13%	0.133	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.7	175.7	66.7	83.2	0	0	0	114.5	K168 V454 K456 C459 C460	K168-W170 HydrophobicContact CB-CD2 4.09Å; K168-W170 HydrophobicContact CB-CE3 4.01Å; K168-W170 HydrophobicContact CB-CH2 3.9Å; K168-W170 HydrophobicContact CB-CZ2 3.93Å; K168-W170 HydrophobicContact CB-CZ3 3.91Å; K168-W170 HydrophobicContact CD-CH2 3.5Å; K168-W170 VanDerWaalsContact CD-CH2 3.5Å; K168-W170 HydrophobicContact CD-CZ2 3.28Å; K168-W170 HydrophobicContact CD-CZ3 4.36Å; K168-W170 HydrophobicContact CG-CH2 4.2Å; K168-W170 HydrophobicContact CG-CZ2 4.21Å; K168-W170 PolarHBondContact O-N 3.25Å; W170-V454 HydrophobicContact CB-CG1 3.92Å; W170-K456 HydrophobicContact CB-CB 4.45Å; W170-K456 HydrophobicContact CD2-CB 4.19Å; W170-K456 HydrophobicContact CD2-CD 4.47Å; W170-K456 HydrophobicContact CD2-CG 3.84Å; W170-K456 HydrophobicContact CE3-CG 4.33Å; W170-K456 HydrophobicContact CG-CB 4.02Å; W170-K456 HydrophobicContact CG-CG 4.15Å; W170-K456 HydrophobicContact CH2-CG 4.42Å; W170-K456 HydrophobicContact CZ2-CD 4.11Å; W170-K456 HydrophobicContact CZ2-CG 3.98Å; W170-C459 HydrophobicContact CE3-CB 3.91Å; W170-C460 WeakPolarHBondContact CZ3-SG 3.5Å
171	Q	88.6	Confident	86.7	Confident	6 Å²	6	36 Å²	36	3%	0.028	19%	0.189	C	C	.	.			trans	-94.1	140	-176.1	-71	-176.1	-46.4	0	0	111	W150 C151 M167 K168	W150-Q171 VanDerWaalsContact CD2-NE2 3.31Å; W150-Q171 HydrophobicContact CE3-CB 4.17Å; W150-Q171 HydrophobicContact CE3-CG 3.94Å; W150-Q171 HydrophobicContact CH2-CB 4.06Å; W150-Q171 HydrophobicContact CH2-CG 4.29Å; W150-Q171 HydrophobicContact CZ3-CB 3.57Å; W150-Q171 HydrophobicContact CZ3-CG 3.8Å; W150-Q171 WeakPolarHBondContact O-CG 3.39Å; W150-Q171 PolarHBondContact O-NE2 3.46Å; C151-Q171 CarbonylContact O-C 3.53Å; C151-Q171 WeakPolarHBondContact O-CA 3.31Å; M167-Q171 HydrophobicContact CE-CB 3.98Å; M167-Q171 WeakPolarHBondContact CE-O 3.37Å; K168-Q171 HydrophobicContact CB-CG 4.15Å; K168-Q171 WeakPolarHBondContact O-CB 3.46Å; K168-Q171 PolarHBondContact O-N 2.95Å
172	K	90.4	Very high	87.3	Confident	19 Å²	19	32.5 Å²	32.5	8%	0.083	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.7	174.5	-62	-161.9	176.9	-162.3	0	112.6	C151 Y153 T397 S398 A399 F401 A449 F451	C151-K172 PolarHBondContact O-N 3.34Å; Y153-K172 PolarHBondContact N-O 3.17Å; K172-T397 WeakPolarHBondContact CE-OG1 3.21Å; K172-T397 PolarHBondContact NZ-OG1 3.42Å; K172-S398 WeakPolarHBondContact CE-O 2.94Å; K172-S398 PolarHBondContact NZ-O 3.17Å; K172-A399 CarbonylContact C-O 3.56Å; K172-A399 WeakPolarHBondContact CA-O 3.4Å; K172-F401 HydrophobicContact CB-CE1 4.23Å; K172-A449 PolarHBondContact NZ-O 2.89Å; K172-F451 HydrophobicContact CB-CE1 4.1Å; K172-F451 HydrophobicContact CD-CD1 4.44Å; K172-F451 HydrophobicContact CD-CE1 4.18Å; K172-F451 HydrophobicContact CG-CE1 4.44Å
173	I	91.8	Very high	87.7	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.6	-178.1	-169	155.2	0	0	0	111.1	Y153 V159 M167 H175 A399 C400 F401	Y153-I173 HydrophobicContact CD1-CD1 3.58Å; Y153-I173 HydrophobicContact CD1-CG1 3.94Å; Y153-I173 HydrophobicContact CE1-CD1 4.13Å; V159-I173 HydrophobicContact CB-CD1 4.33Å; V159-I173 HydrophobicContact CG1-CD1 3.83Å; V159-I173 HydrophobicContact CG2-CD1 3.62Å; V159-I173 HydrophobicContact CG2-CG1 4.1Å; M167-I173 HydrophobicContact CE-CB 3.85Å; M167-I173 HydrophobicContact CE-CG2 3.81Å; M167-I173 HydrophobicContact SD-CB 4.04Å; M167-I173 HydrophobicContact SD-CD1 4.21Å; M167-I173 HydrophobicContact SD-CG2 3.81Å; I173-H175 VanDerWaalsContact C-N 3.34Å; I173-H175 PolarHBondContact O-N 3.37Å; I173-A399 PolarHBondContact N-O 2.98Å; I173-C400 HydrophobicContact CG2-CB 4.48Å; I173-C400 VanDerWaalsContact CG2-SG 3.55Å; I173-C400 WeakPolarHBondContact O-CA 3.27Å; I173-F401 PolarHBondContact O-N 2.6Å
174	N	93.3	Very high	88	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.053	15%	0.147	C	C	.	.	S	Bend	trans	-88.4	20.2	-172.2	72	-50.5	0	0	0	115.5	W154 T155 F401	W154-N174 WeakPolarHBondContact CA-OD1 3.09Å; W154-N174 HydrophobicContact CD2-CB 4.02Å; W154-N174 HydrophobicContact CE3-CB 3.91Å; W154-N174 HydrophobicContact CZ3-CB 4.25Å; W154-N174 PolarHBondContact NE1-ND2 3.32Å; T155-N174 WeakPolarHBondContact CG2-OD1 3.27Å; T155-N174 PolarHBondContact N-OD1 2.86Å; T155-N174 PolarHBondContact O-ND2 3.49Å; N174-F401 CarbonylContact C-O 3.58Å; N174-F401 WeakPolarHBondContact CA-O 3.49Å; N174-F401 HydrophobicContact CB-CE2 3.98Å; N174-F401 HydrophobicContact CB-CZ 4.03Å
175	H	93.4	Very high	88.2	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.019	15%	0.153	C	C	.	.	S	Bend	trans	-147.8	149.6	176.1	-63.2	-97.3	0	0	0	111.6	T155 V159 I173 C400 F401 E402 H423	T155-H175 PolarHBondContact O-NE2 3.44Å; V159-H175 HydrophobicContact CG2-CB 3.83Å; I173-H175 VanDerWaalsContact C-N 3.34Å; I173-H175 PolarHBondContact O-N 3.37Å; H175-C400 PolarHBondContact O-SG 3.22Å; H175-F401 PolarHBondContact N-O 3.03Å; H175-F401 VanDerWaalsContact N-O 3.15Å; H175-E402 IonicContact ND1-OE1 2.83Å; H175-H423 AromaticContact CE1-CD2 3.9Å; H175-H423 PolarHBondContact CE1-O 3.23Å; H175-H423 AromaticContact ND1-CD2 3.99Å
176	F	91.7	Very high	88.4	Confident	7 Å²	7	27.8 Å²	27.8	3%	0.031	14%	0.142	C	C	.	.			trans	-94	141.9	169.9	-73.1	-102.3	0	0	0	112.7	G178 M179 L284 C287 I383 Y387 C400 E402	F176-G178 PolarHBondContact O-N 3.34Å; F176-M179 HydrophobicContact CB-CE 4.13Å; F176-M179 HydrophobicContact CD2-CE 4.3Å; F176-M179 HydrophobicContact CG-CE 4.43Å; F176-M179 PolarHBondContact O-N 3.42Å; F176-L284 HydrophobicContact CD1-CD2 4.44Å; F176-L284 HydrophobicContact CD2-CD2 3.53Å; F176-L284 HydrophobicContact CD2-CG 4.1Å; F176-L284 HydrophobicContact CE1-CD2 4.36Å; F176-L284 HydrophobicContact CE2-CB 4.09Å; F176-L284 HydrophobicContact CE2-CD2 3.43Å; F176-L284 VanDerWaalsContact CE2-CD2 3.43Å; F176-L284 HydrophobicContact CE2-CG 3.45Å; F176-L284 VanDerWaalsContact CE2-CG 3.45Å; F176-L284 HydrophobicContact CG-CD2 4.07Å; F176-L284 HydrophobicContact CZ-CD2 3.88Å; F176-L284 HydrophobicContact CZ-CG 3.73Å; F176-C287 HydrophobicContact CD1-CB 4.13Å; F176-C287 HydrophobicContact CE1-CB 3.78Å; F176-I383 HydrophobicContact CB-CG2 4.04Å; F176-I383 HydrophobicContact CD1-CG2 4.2Å; F176-I383 HydrophobicContact CG-CG2 4.34Å; F176-Y387 AromaticContact CD1-CD2 3.84Å; F176-Y387 HydrophobicContact CD1-CD2 3.84Å; F176-Y387 HydrophobicContact CD1-CE2 4.44Å; F176-Y387 AromaticContact CE1-CD2 3.97Å; F176-Y387 HydrophobicContact CE1-CD2 3.97Å; F176-Y387 HydrophobicContact CE1-CE2 4.18Å; F176-C400 HydrophobicContact CB-CB 4.45Å; F176-C400 HydrophobicContact CD1-CB 3.47Å; F176-C400 VanDerWaalsContact CD1-CB 3.47Å; F176-C400 HydrophobicContact CD2-CB 3.72Å; F176-C400 HydrophobicContact CE1-CB 3.43Å; F176-C400 VanDerWaalsContact CE1-CB 3.43Å; F176-C400 HydrophobicContact CE2-CB 3.67Å; F176-C400 HydrophobicContact CG-CB 3.61Å; F176-C400 HydrophobicContact CZ-CB 3.53Å; F176-C400 WeakPolarHBondContact CZ-O 3.26Å; F176-E402 HydrophobicContact CD2-CB 3.76Å; F176-E402 HydrophobicContact CE2-CB 4.11Å; F176-E402 PolarHBondContact N-OE2 3.25Å
177	P	89.4	Confident	88.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	117.1	175.1	28.2	-34.6	0	0	0	110.8	I161 N386 C390 F391	I161-P177 HydrophobicContact CG1-CB 4.31Å; P177-N386 HydrophobicContact CB-CB 4.15Å; P177-N386 HydrophobicContact CG-CB 4.17Å; P177-N386 WeakPolarHBondContact O-CB 3.49Å; P177-N386 PolarHBondContact O-ND2 3.2Å; P177-C390 HydrophobicContact CG-CB 4.34Å; P177-F391 HydrophobicContact CG-CE2 4.49Å
178	G	86	Confident	89	Confident	17 Å²	17	22.2 Å²	22.2	18%	0.175	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	0.8	179.4	0	0	0	0	0	116.3	F176 S180 E181 N386	F176-G178 PolarHBondContact O-N 3.34Å; G178-S180 PolarHBondContact O-N 3.26Å; G178-E181 PolarHBondContact O-N 3.06Å; G178-N386 WeakPolarHBondContact CA-ND2 3.23Å
179	M	90.5	Very high	89.4	Confident	4 Å²	4	18.2 Å²	18.2	2%	0.02	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.9	176.9	-163.7	61.7	74.1	0	0	113.6	F176 E181 I182 C183 L284 L376 I383 E402 L404	F176-M179 HydrophobicContact CB-CE 4.13Å; F176-M179 HydrophobicContact CD2-CE 4.3Å; F176-M179 HydrophobicContact CG-CE 4.43Å; F176-M179 PolarHBondContact O-N 3.42Å; M179-E181 PolarHBondContact O-N 2.95Å; M179-I182 HydrophobicContact CG-CG1 4.24Å; M179-I182 PolarHBondContact O-N 3.42Å; M179-I182 VanDerWaalsContact O-N 3.07Å; M179-I182 HydrophobicContact SD-CD1 3.61Å; M179-I182 HydrophobicContact SD-CG1 3.51Å; M179-I182 VanDerWaalsContact SD-CG1 3.51Å; M179-C183 WeakPolarHBondContact O-CB 3.41Å; M179-C183 PolarHBondContact O-N 3.42Å; M179-L284 HydrophobicContact CE-CD2 3.39Å; M179-L376 HydrophobicContact CE-CD1 4.15Å; M179-L376 HydrophobicContact SD-CD1 3.93Å; M179-I383 HydrophobicContact CE-CD1 3.87Å; M179-I383 HydrophobicContact CE-CG2 4.45Å; M179-I383 HydrophobicContact SD-CD1 3.59Å; M179-I383 VanDerWaalsContact SD-CD1 3.59Å; M179-I383 HydrophobicContact SD-CG1 4.48Å; M179-E402 WeakPolarHBondContact CB-OE2 3.48Å; M179-E402 VanDerWaalsContact CG-OE1 3.23Å; M179-E402 WeakPolarHBondContact CG-OE1 3.45Å; M179-L404 HydrophobicContact CE-CD1 4.44Å; M179-L404 HydrophobicContact CG-CD2 3.94Å; M179-L404 HydrophobicContact SD-CD1 4.27Å; M179-L404 HydrophobicContact SD-CD2 4.35Å
180	S	88	Confident	89.6	Confident	52 Å²	52	18.6 Å²	18.6	36%	0.364	9%	0.092	S	C	.	.	H	α-helix	trans	-48	-26.3	165.9	52.1	0	0	0	0	114.4	G178 I182 R184	G178-S180 PolarHBondContact O-N 3.26Å; S180-I182 VanDerWaalsContact C-N 3.32Å; S180-I182 PolarHBondContact O-N 3.17Å; S180-R184 VanDerWaalsContact O-CB 3.27Å; S180-R184 WeakPolarHBondContact O-CB 3.42Å; S180-R184 VanDerWaalsContact O-CG 3.3Å; S180-R184 WeakPolarHBondContact O-CG 3.47Å; S180-R184 PolarHBondContact O-N 3.03Å
181	E	89.1	Confident	90	Very high	36 Å²	36	17 Å²	17	17%	0.168	9%	0.087	C	C	.	.	H	α-helix	trans	-75	-15.3	-179.8	-78.1	-73.3	133.2	0	0	114.7	G178 M179 S187 L188 R190 N191 I382	G178-E181 PolarHBondContact O-N 3.06Å; M179-E181 PolarHBondContact O-N 2.95Å; E181-S187 CarbonylContact O-C 3.48Å; E181-S187 WeakPolarHBondContact O-CB 3.34Å; E181-L188 PolarHBondContact O-N 2.74Å; E181-R190 VanDerWaalsContact CD-NH2 3.34Å; E181-R190 IonicContact OE1-CZ 3.96Å; E181-R190 IonicContact OE1-NH1 2.78Å; E181-R190 IonicContact OE1-NH2 2.82Å; E181-R190 PolarHBondContact OE1-NH2 3.25Å; E181-R190 IonicContact OE2-CZ 3.68Å; E181-R190 IonicContact OE2-NH1 3.76Å; E181-R190 PolarHBondContact OE2-NH1 2.91Å; E181-R190 VanDerWaalsContact OE2-NH1 3.15Å; E181-R190 IonicContact OE2-NH2 3.84Å; E181-R190 PolarHBondContact OE2-NH2 2.84Å; E181-R190 VanDerWaalsContact OE2-NH2 3.16Å; E181-N191 PolarHBondContact O-ND2 3.2Å; E181-N191 PolarHBondContact OE2-ND2 3.24Å; E181-I382 HydrophobicContact CB-CD1 3.49Å; E181-I382 VanDerWaalsContact CB-CD1 3.49Å; E181-I382 HydrophobicContact CG-CD1 3.5Å; E181-I382 VanDerWaalsContact CG-CD1 3.5Å
182	I	91.1	Very high	90.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-112.6	-20.6	163.8	65.4	155	0	0	0	113.3	M179 S180 L188 L376 L404 V421	M179-I182 HydrophobicContact CG-CG1 4.24Å; M179-I182 PolarHBondContact O-N 3.42Å; M179-I182 VanDerWaalsContact O-N 3.07Å; M179-I182 HydrophobicContact SD-CD1 3.61Å; M179-I182 HydrophobicContact SD-CG1 3.51Å; M179-I182 VanDerWaalsContact SD-CG1 3.51Å; S180-I182 VanDerWaalsContact C-N 3.32Å; S180-I182 PolarHBondContact O-N 3.17Å; I182-L188 HydrophobicContact CB-CD1 4.11Å; I182-L188 WeakPolarHBondContact O-CB 3.48Å; I182-L188 WeakPolarHBondContact O-CD1 3.44Å; I182-L376 HydrophobicContact CD1-CD1 3.64Å; I182-L404 HydrophobicContact CD1-CD1 4.13Å; I182-V421 HydrophobicContact CD1-CG1 4.28Å
183	C	90.5	Very high	90.1	Very high	16 Å²	16	17.5 Å²	17.5	11%	0.108	9%	0.09	C	C	.	.	H	α-helix	trans	-96.3	-8	-176.6	-68.5	0	0	0	0	115.1	M179 V421 H423	M179-C183 WeakPolarHBondContact O-CB 3.41Å; M179-C183 PolarHBondContact O-N 3.42Å; C183-V421 WeakPolarHBondContact CA-O 3.4Å; C183-H423 HydrophobicContact CB-CB 3.73Å
184	R	87.9	Confident	89.9	Confident	87 Å²	87	18.1 Å²	18.1	33%	0.328	9%	0.092	S	C	.	.	S	Bend	trans	-90.2	135.5	160.2	-62.2	174.7	52.5	72.9	5.8	109.1	S180 D186 S187 L188 N237	S180-R184 VanDerWaalsContact O-CB 3.27Å; S180-R184 WeakPolarHBondContact O-CB 3.42Å; S180-R184 VanDerWaalsContact O-CG 3.3Å; S180-R184 WeakPolarHBondContact O-CG 3.47Å; S180-R184 PolarHBondContact O-N 3.03Å; R184-D186 VanDerWaalsContact C-N 3.27Å; R184-D186 WeakPolarHBondContact CB-OD1 3.23Å; R184-D186 IonicContact CZ-OD1 3.79Å; R184-D186 IonicContact CZ-OD2 3.56Å; R184-D186 IonicContact NE-OD1 3.19Å; R184-D186 PolarHBondContact NE-OD1 3.19Å; R184-D186 IonicContact NE-OD2 2.72Å; R184-D186 PolarHBondContact NE-OD2 3.23Å; R184-D186 VanDerWaalsContact NH2-CG 3.29Å; R184-D186 IonicContact NH2-OD1 4Å; R184-D186 PolarHBondContact NH2-OD1 2.95Å; R184-D186 IonicContact NH2-OD2 2.88Å; R184-D186 PolarHBondContact NH2-OD2 3.31Å; R184-D186 PolarHBondContact O-N 2.79Å; R184-S187 PolarHBondContact O-N 2.66Å; R184-L188 VanDerWaalsContact O-CB 3.32Å; R184-L188 WeakPolarHBondContact O-CB 3.15Å; R184-L188 PolarHBondContact O-N 2.62Å; R184-N237 PolarHBondContact NH1-OD1 3.05Å; R184-N237 PolarHBondContact NH2-OD1 2.93Å
185	K	88.6	Confident	89.6	Confident	29 Å²	29	17.6 Å²	17.6	13%	0.126	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-36.4	-177.6	-65.4	173.9	161.5	67.4	0	112.9	A189 G238 I260 E420	K185-A189 WeakPolarHBondContact O-CB 3.29Å; K185-A189 PolarHBondContact O-N 3.05Å; K185-G238 PolarHBondContact NZ-O 2.85Å; K185-I260 HydrophobicContact CB-CD1 3.3Å; K185-E420 WeakPolarHBondContact CE-OE2 3.45Å; K185-E420 IonicContact NZ-OE1 2.68Å; K185-E420 IonicContact NZ-OE2 2.89Å; K185-E420 PolarHBondContact NZ-OE2 3.42Å
186	D	88.5	Confident	89.4	Confident	21 Å²	21	19.5 Å²	19.5	11%	0.112	10%	0.099	C	C	.	.	H	α-helix	trans	-70.1	-42.8	-179.5	62.6	-16.9	0	0	0	111.5	R184 A189 R190 I260	R184-D186 VanDerWaalsContact C-N 3.27Å; R184-D186 WeakPolarHBondContact CB-OD1 3.23Å; R184-D186 IonicContact CZ-OD1 3.79Å; R184-D186 IonicContact CZ-OD2 3.56Å; R184-D186 IonicContact NE-OD1 3.19Å; R184-D186 PolarHBondContact NE-OD1 3.19Å; R184-D186 IonicContact NE-OD2 2.72Å; R184-D186 PolarHBondContact NE-OD2 3.23Å; R184-D186 VanDerWaalsContact NH2-CG 3.29Å; R184-D186 IonicContact NH2-OD1 4Å; R184-D186 PolarHBondContact NH2-OD1 2.95Å; R184-D186 IonicContact NH2-OD2 2.88Å; R184-D186 PolarHBondContact NH2-OD2 3.31Å; R184-D186 PolarHBondContact O-N 2.79Å; D186-A189 PolarHBondContact O-N 3.15Å; D186-R190 WeakPolarHBondContact O-CG 3.32Å; D186-R190 PolarHBondContact O-N 3Å; D186-I260 HydrophobicContact CB-CD1 4.09Å; D186-I260 VanDerWaalsContact N-CD1 3.3Å
187	S	89.4	Confident	89.1	Confident	2 Å²	2	27 Å²	27	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-73.3	-42	-177.8	-49.8	0	0	0	0	110.8	E181 R184 A189 R190 N191	E181-S187 CarbonylContact O-C 3.48Å; E181-S187 WeakPolarHBondContact O-CB 3.34Å; R184-S187 PolarHBondContact O-N 2.66Å; S187-A189 VanDerWaalsContact C-N 3.32Å; S187-A189 PolarHBondContact O-N 2.91Å; S187-R190 PolarHBondContact O-N 2.77Å; S187-R190 PolarHBondContact OG-NH2 3.46Å; S187-N191 WeakPolarHBondContact O-CB 3.35Å; S187-N191 PolarHBondContact O-N 2.87Å; S187-N191 PolarHBondContact O-ND2 3.34Å; S187-N191 VanDerWaalsContact O-ND2 3.11Å
188	L	92	Very high	89	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-55.6	-46.7	169.2	-174.1	61.5	0	0	0	111.4	E181 I182 R184 N191 L192 F206 T375 V421	E181-L188 PolarHBondContact O-N 2.74Å; I182-L188 HydrophobicContact CB-CD1 4.11Å; I182-L188 WeakPolarHBondContact O-CB 3.48Å; I182-L188 WeakPolarHBondContact O-CD1 3.44Å; R184-L188 VanDerWaalsContact O-CB 3.32Å; R184-L188 WeakPolarHBondContact O-CB 3.15Å; R184-L188 PolarHBondContact O-N 2.62Å; L188-N191 PolarHBondContact O-N 2.76Å; L188-L192 HydrophobicContact CD1-CD1 3.55Å; L188-L192 HydrophobicContact CD1-CG 4.01Å; L188-L192 HydrophobicContact CG-CD1 3.81Å; L188-L192 HydrophobicContact CG-CG 4.48Å; L188-L192 VanDerWaalsContact O-CB 3.3Å; L188-L192 WeakPolarHBondContact O-CB 3.17Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 2.91Å; L188-F206 HydrophobicContact CD2-CE2 4.47Å; L188-T375 HydrophobicContact CD1-CG2 3.88Å; L188-V421 HydrophobicContact CD2-CG2 4.33Å
189	A	91.9	Very high	89.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-43.4	177.8	0	0	0	0	0	112.6	K185 D186 S187 N193 F206 T209	K185-A189 WeakPolarHBondContact O-CB 3.29Å; K185-A189 PolarHBondContact O-N 3.05Å; D186-A189 PolarHBondContact O-N 3.15Å; S187-A189 VanDerWaalsContact C-N 3.32Å; S187-A189 PolarHBondContact O-N 2.91Å; A189-N193 WeakPolarHBondContact O-CB 3.41Å; A189-N193 PolarHBondContact O-N 2.84Å; A189-N193 PolarHBondContact O-ND2 3.28Å; A189-F206 HydrophobicContact CB-CE1 4.09Å; A189-F206 HydrophobicContact CB-CZ 4.4Å; A189-T209 HydrophobicContact CB-CG2 3.65Å
190	R	87.9	Confident	88.9	Confident	42 Å²	42	36 Å²	36	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-52.9	173.5	-73	-176.5	-65.5	107.2	-10.8	111.7	E181 D186 S187 N193 R194 Y535	E181-R190 VanDerWaalsContact CD-NH2 3.34Å; E181-R190 IonicContact OE1-CZ 3.96Å; E181-R190 IonicContact OE1-NH1 2.78Å; E181-R190 IonicContact OE1-NH2 2.82Å; E181-R190 PolarHBondContact OE1-NH2 3.25Å; E181-R190 IonicContact OE2-CZ 3.68Å; E181-R190 IonicContact OE2-NH1 3.76Å; E181-R190 PolarHBondContact OE2-NH1 2.91Å; E181-R190 VanDerWaalsContact OE2-NH1 3.15Å; E181-R190 IonicContact OE2-NH2 3.84Å; E181-R190 PolarHBondContact OE2-NH2 2.84Å; E181-R190 VanDerWaalsContact OE2-NH2 3.16Å; D186-R190 WeakPolarHBondContact O-CG 3.32Å; D186-R190 PolarHBondContact O-N 3Å; S187-R190 PolarHBondContact O-N 2.77Å; S187-R190 PolarHBondContact OG-NH2 3.46Å; R190-N193 PolarHBondContact O-N 2.99Å; R190-R194 WeakPolarHBondContact O-CB 3.41Å; R190-R194 PolarHBondContact O-N 2.67Å; R190-Y535 HydrophobicContact CG-CD2 4.26Å; R190-Y535 HydrophobicContact CG-CE2 4.27Å
191	N	90.2	Very high	88.9	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-69.6	-40.6	-172.8	-68.6	-35.3	0	0	0	111.8	E181 S187 L188 R194 M195	E181-N191 PolarHBondContact O-ND2 3.2Å; E181-N191 PolarHBondContact OE2-ND2 3.24Å; S187-N191 WeakPolarHBondContact O-CB 3.35Å; S187-N191 PolarHBondContact O-N 2.87Å; S187-N191 PolarHBondContact O-ND2 3.34Å; S187-N191 VanDerWaalsContact O-ND2 3.11Å; L188-N191 PolarHBondContact O-N 2.76Å; N191-R194 PolarHBondContact O-N 2.68Å; N191-M195 WeakPolarHBondContact O-CG 3.4Å; N191-M195 PolarHBondContact O-N 2.85Å
192	L	91.6	Very high	88.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-41.6	173.8	-66.9	176.4	0	0	0	112.6	L188 R194 M195 I196 Y203 I205 F206 V418	L188-L192 HydrophobicContact CD1-CD1 3.55Å; L188-L192 HydrophobicContact CD1-CG 4.01Å; L188-L192 HydrophobicContact CG-CD1 3.81Å; L188-L192 HydrophobicContact CG-CG 4.48Å; L188-L192 VanDerWaalsContact O-CB 3.3Å; L188-L192 WeakPolarHBondContact O-CB 3.17Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 2.91Å; L192-R194 PolarHBondContact O-N 2.9Å; L192-M195 PolarHBondContact O-N 2.97Å; L192-I196 WeakPolarHBondContact O-CB 3.18Å; L192-I196 VanDerWaalsContact O-CG1 3.23Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.48Å; L192-Y203 HydrophobicContact CD2-CD1 4.18Å; L192-Y203 HydrophobicContact CD2-CE1 4.34Å; L192-I205 HydrophobicContact CD2-CD1 4.29Å; L192-F206 HydrophobicContact CB-CB 4.32Å; L192-F206 HydrophobicContact CB-CD1 3.9Å; L192-F206 HydrophobicContact CB-CE1 4.47Å; L192-F206 HydrophobicContact CB-CG 4.23Å; L192-F206 HydrophobicContact CD1-CB 3.86Å; L192-F206 HydrophobicContact CD1-CD1 3.92Å; L192-F206 HydrophobicContact CD1-CD2 3.67Å; L192-F206 HydrophobicContact CD1-CE1 4.34Å; L192-F206 HydrophobicContact CD1-CE2 4.13Å; L192-F206 HydrophobicContact CD1-CG 3.56Å; L192-F206 HydrophobicContact CD1-CZ 4.44Å; L192-V418 HydrophobicContact CD1-CG1 4.02Å
193	N	90.3	Very high	88.7	Confident	35 Å²	35	43.7 Å²	43.7	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-35.5	174.3	-80.8	-23.8	0	0	0	112.4	A189 R190 R197 T209	A189-N193 WeakPolarHBondContact O-CB 3.41Å; A189-N193 PolarHBondContact O-N 2.84Å; A189-N193 PolarHBondContact O-ND2 3.28Å; R190-N193 PolarHBondContact O-N 2.99Å; N193-R197 WeakPolarHBondContact O-CG 3.38Å; N193-R197 PolarHBondContact O-N 2.83Å; N193-T209 PolarHBondContact ND2-O 3.38Å
194	R	86.3	Confident	88.7	Confident	13 Å²	13	46.9 Å²	46.9	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-47.8	174.7	174.7	170.3	169.8	-93.6	-13.4	111.8	R190 N191 L192 I196 R197 L198 P524 T527 F528 E531	R190-R194 WeakPolarHBondContact O-CB 3.41Å; R190-R194 PolarHBondContact O-N 2.67Å; N191-R194 PolarHBondContact O-N 2.68Å; L192-R194 PolarHBondContact O-N 2.9Å; R194-I196 VanDerWaalsContact C-N 3.27Å; R194-I196 PolarHBondContact O-N 3.05Å; R194-R197 WeakPolarHBondContact O-CB 3.42Å; R194-R197 PolarHBondContact O-N 3Å; R194-L198 PolarHBondContact O-N 2.83Å; R194-P524 PolarHBondContact NH2-O 3.36Å; R194-T527 VanDerWaalsContact NH2-C 3.31Å; R194-T527 PolarHBondContact NH2-OG1 2.92Å; R194-F528 VanDerWaalsContact NH2-N 3.13Å; R194-E531 WeakPolarHBondContact CD-OE1 3.43Å; R194-E531 VanDerWaalsContact CG-OE1 3.31Å; R194-E531 WeakPolarHBondContact CG-OE1 3.31Å; R194-E531 IonicContact CZ-OE1 3.11Å; R194-E531 IonicContact NE-OE1 3.83Å; R194-E531 PolarHBondContact NE-OE1 2.93Å
195	M	86.8	Confident	88.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-29.9	175.3	-64	-59.8	-78.8	0	0	112.6	N191 L192 R197 L198 F199 Y203 F521 P524	N191-M195 WeakPolarHBondContact O-CG 3.4Å; N191-M195 PolarHBondContact O-N 2.85Å; L192-M195 PolarHBondContact O-N 2.97Å; M195-R197 VanDerWaalsContact C-N 3.31Å; M195-R197 PolarHBondContact O-N 2.89Å; M195-L198 PolarHBondContact O-N 3.46Å; M195-L198 HydrophobicContact SD-CD1 4.15Å; M195-F199 HydrophobicContact CE-CD2 3.8Å; M195-F199 HydrophobicContact CE-CE2 3.77Å; M195-F199 WeakPolarHBondContact O-CA 3.41Å; M195-F199 PolarHBondContact O-N 3.46Å; M195-F199 HydrophobicContact SD-CD2 4.49Å; M195-F199 HydrophobicContact SD-CE2 4.49Å; M195-Y203 HydrophobicContact CB-CD1 3.33Å; M195-Y203 HydrophobicContact CB-CD2 4.1Å; M195-Y203 HydrophobicContact CB-CE1 3.49Å; M195-Y203 VanDerWaalsContact CB-CE1 3.49Å; M195-Y203 HydrophobicContact CB-CE2 4.24Å; M195-Y203 HydrophobicContact CB-CG 3.65Å; M195-Y203 HydrophobicContact CE-CE1 4.25Å; M195-Y203 HydrophobicContact CE-CE2 3.86Å; M195-Y203 WeakPolarHBondContact CE-OH 3.18Å; M195-Y203 HydrophobicContact CG-CD1 4.22Å; M195-Y203 HydrophobicContact CG-CE1 3.86Å; M195-F521 HydrophobicContact CE-CB 4.14Å; M195-P524 HydrophobicContact CE-CG 4.27Å; M195-P524 HydrophobicContact SD-CG 4.13Å
196	I	90	Very high	89	Confident	43 Å²	43	41.8 Å²	41.8	22%	0.221	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-31.3	170	-71.8	165.9	0	0	0	112.2	L192 R194 P200 Y203	L192-I196 WeakPolarHBondContact O-CB 3.18Å; L192-I196 VanDerWaalsContact O-CG1 3.23Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.48Å; R194-I196 VanDerWaalsContact C-N 3.27Å; R194-I196 PolarHBondContact O-N 3.05Å; I196-P200 WeakPolarHBondContact O-CA 3.46Å; I196-P200 WeakPolarHBondContact O-CB 3.4Å; I196-Y203 WeakPolarHBondContact CG1-O 3.48Å
197	R	86.3	Confident	89.2	Confident	166 Å²	166	41.2 Å²	41.2	63%	0.626	20%	0.197	S	C	*	.	H	α-helix	trans	-73.4	-38.7	175.3	-68.6	167.7	-174.1	-133.8	-2.2	112	N193 R194 M195	N193-R197 WeakPolarHBondContact O-CG 3.38Å; N193-R197 PolarHBondContact O-N 2.83Å; R194-R197 WeakPolarHBondContact O-CB 3.42Å; R194-R197 PolarHBondContact O-N 3Å; M195-R197 VanDerWaalsContact C-N 3.31Å; M195-R197 PolarHBondContact O-N 2.89Å
198	L	85.7	Confident	89.3	Confident	69 Å²	69	47 Å²	47	36%	0.361	22%	0.222	S	C	.	.	H	α-helix	trans	-77.3	-41.1	179.7	-61.5	174.2	0	0	0	112.3	R194 M195 P524	R194-L198 PolarHBondContact O-N 2.83Å; M195-L198 PolarHBondContact O-N 3.46Å; M195-L198 HydrophobicContact SD-CD1 4.15Å; L198-P524 HydrophobicContact CD1-CB 3.92Å
199	F	87.9	Confident	89.4	Confident	50 Å²	50	47 Å²	47	22%	0.219	22%	0.222	C	C	.	.			trans	-131.8	65.3	-172.2	-55.8	-75.9	0	0	0	111.2	M195 K201 D202 Y203 F521	M195-F199 HydrophobicContact CE-CD2 3.8Å; M195-F199 HydrophobicContact CE-CE2 3.77Å; M195-F199 WeakPolarHBondContact O-CA 3.41Å; M195-F199 PolarHBondContact O-N 3.46Å; M195-F199 HydrophobicContact SD-CD2 4.49Å; M195-F199 HydrophobicContact SD-CE2 4.49Å; F199-K201 PolarHBondContact O-N 3.32Å; F199-K201 VanDerWaalsContact O-N 3.17Å; F199-D202 HydrophobicContact CB-CB 4.34Å; F199-D202 PolarHBondContact O-N 3.07Å; F199-Y203 HydrophobicContact CB-CD2 3.77Å; F199-Y203 HydrophobicContact CB-CE2 4.37Å; F199-Y203 HydrophobicContact CD2-CD2 4.46Å; F199-Y203 HydrophobicContact CD2-CE2 4.38Å; F199-Y203 HydrophobicContact CG-CD2 4.48Å; F199-Y203 PolarHBondContact O-N 3.45Å; F199-F521 HydrophobicContact CB-CE1 4.12Å; F199-F521 AromaticContact CD1-CD1 3.96Å; F199-F521 HydrophobicContact CD1-CD1 3.96Å; F199-F521 AromaticContact CD1-CE1 3.67Å; F199-F521 HydrophobicContact CD1-CE1 3.67Å; F199-F521 AromaticContact CD2-CD1 3.79Å; F199-F521 HydrophobicContact CD2-CD1 3.79Å; F199-F521 HydrophobicContact CD2-CE1 4.13Å; F199-F521 AromaticContact CE1-CD1 3.98Å; F199-F521 HydrophobicContact CE1-CD1 3.98Å; F199-F521 HydrophobicContact CE1-CE1 4.05Å; F199-F521 AromaticContact CE2-CD1 3.82Å; F199-F521 HydrophobicContact CE2-CD1 3.82Å; F199-F521 HydrophobicContact CE2-CE1 4.48Å; F199-F521 AromaticContact CG-CD1 3.86Å; F199-F521 HydrophobicContact CG-CD1 3.86Å; F199-F521 AromaticContact CG-CE1 3.71Å; F199-F521 HydrophobicContact CG-CE1 3.71Å; F199-F521 AromaticContact CZ-CD1 3.91Å; F199-F521 HydrophobicContact CZ-CD1 3.91Å; F199-F521 HydrophobicContact CZ-CE1 4.43Å
200	P	87.3	Confident	89.3	Confident	89 Å²	89	48.3 Å²	48.3	58%	0.578	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.2	-170	24.5	-35.1	0	0	0	115.2	I196	I196-P200 WeakPolarHBondContact O-CA 3.46Å; I196-P200 WeakPolarHBondContact O-CB 3.4Å
201	K	87.1	Confident	89.4	Confident	185 Å²	185	46.4 Å²	46.4	80%	0.804	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-47.4	174	-64.5	-179.5	-179.6	178.3	0	110.6	F199	F199-K201 PolarHBondContact O-N 3.32Å; F199-K201 VanDerWaalsContact O-N 3.17Å
202	D	88	Confident	89.3	Confident	65 Å²	65	46.6 Å²	46.6	35%	0.348	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-34.1	-166.1	-56.9	-83.3	0	0	0	114.2	F199 N204 K374 F521	F199-D202 HydrophobicContact CB-CB 4.34Å; F199-D202 PolarHBondContact O-N 3.07Å; D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 2.94Å; D202-K374 PolarHBondContact O-NZ 3.37Å; D202-F521 HydrophobicContact CB-CE1 4.23Å; D202-F521 HydrophobicContact CB-CZ 3.85Å
203	Y	89.2	Confident	89	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	17.8	-175.2	-85.6	-100.4	0	0	0	114.3	L192 M195 I196 F199 I205 K374 F521	L192-Y203 HydrophobicContact CD2-CD1 4.18Å; L192-Y203 HydrophobicContact CD2-CE1 4.34Å; M195-Y203 HydrophobicContact CB-CD1 3.33Å; M195-Y203 HydrophobicContact CB-CD2 4.1Å; M195-Y203 HydrophobicContact CB-CE1 3.49Å; M195-Y203 VanDerWaalsContact CB-CE1 3.49Å; M195-Y203 HydrophobicContact CB-CE2 4.24Å; M195-Y203 HydrophobicContact CB-CG 3.65Å; M195-Y203 HydrophobicContact CE-CE1 4.25Å; M195-Y203 HydrophobicContact CE-CE2 3.86Å; M195-Y203 WeakPolarHBondContact CE-OH 3.18Å; M195-Y203 HydrophobicContact CG-CD1 4.22Å; M195-Y203 HydrophobicContact CG-CE1 3.86Å; I196-Y203 WeakPolarHBondContact CG1-O 3.48Å; F199-Y203 HydrophobicContact CB-CD2 3.77Å; F199-Y203 HydrophobicContact CB-CE2 4.37Å; F199-Y203 HydrophobicContact CD2-CD2 4.46Å; F199-Y203 HydrophobicContact CD2-CE2 4.38Å; F199-Y203 HydrophobicContact CG-CD2 4.48Å; F199-Y203 PolarHBondContact O-N 3.45Å; Y203-I205 HydrophobicContact CD1-CD1 4.13Å; Y203-I205 HydrophobicContact CE1-CD1 4.45Å; Y203-I205 PolarHBondContact O-N 3.32Å; Y203-K374 HydrophobicContact CD1-CB 4.43Å; Y203-K374 HydrophobicContact CE1-CB 3.77Å; Y203-K374 HydrophobicContact CE1-CG 4.43Å; Y203-K374 VanDerWaalsContact CE1-O 3.26Å; Y203-K374 WeakPolarHBondContact CE1-O 3.46Å; Y203-K374 HydrophobicContact CE2-CB 4.33Å; Y203-K374 HydrophobicContact CE2-CD 4.32Å; Y203-K374 HydrophobicContact CE2-CG 4.11Å; Y203-K374 PolarHBondContact OH-O 2.97Å; Y203-K374 VanDerWaalsContact OH-O 3.09Å; Y203-F521 HydrophobicContact CD2-CE1 4.46Å; Y203-F521 AromaticContact CE2-CD1 3.75Å; Y203-F521 HydrophobicContact CE2-CD1 3.75Å; Y203-F521 HydrophobicContact CE2-CD2 4.28Å; Y203-F521 AromaticContact CE2-CE1 3.9Å; Y203-F521 HydrophobicContact CE2-CE1 3.9Å; Y203-F521 HydrophobicContact CE2-CE2 4.43Å; Y203-F521 AromaticContact CE2-CG 3.95Å; Y203-F521 HydrophobicContact CE2-CG 3.95Å; Y203-F521 HydrophobicContact CE2-CZ 4.26Å
204	N	89.7	Confident	88.7	Confident	82 Å²	82	47 Å²	47	44%	0.439	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	46.5	169.2	-173.9	12.3	0	0	0	112	D202 K415	D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 2.94Å; N204-K415 WeakPolarHBondContact O-CE 3.3Å; N204-K415 PolarHBondContact O-NZ 3.16Å
205	I	91	Very high	88.7	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-7.6	-177.2	64.5	175.7	0	0	0	112.3	L192 Y203 V371 K374 Y417 V418	L192-I205 HydrophobicContact CD2-CD1 4.29Å; Y203-I205 HydrophobicContact CD1-CD1 4.13Å; Y203-I205 HydrophobicContact CE1-CD1 4.45Å; Y203-I205 PolarHBondContact O-N 3.32Å; I205-V371 HydrophobicContact CB-CG1 4.35Å; I205-V371 HydrophobicContact CB-CG2 3.94Å; I205-V371 HydrophobicContact CG2-CG2 3.78Å; I205-K374 HydrophobicContact CD1-CB 3.66Å; I205-K374 HydrophobicContact CG2-CD 4.47Å; I205-Y417 VanDerWaalsContact O-CA 3.32Å; I205-Y417 WeakPolarHBondContact O-CA 3.36Å; I205-V418 PolarHBondContact O-N 3.26Å
206	F	92.6	Very high	88.6	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.035	24%	0.241	C	C	.	.	S	Bend	trans	-126.7	137.6	-176.1	-166.9	-128.4	0	0	0	109.7	L188 A189 L192 T209 V418	L188-F206 HydrophobicContact CD2-CE2 4.47Å; A189-F206 HydrophobicContact CB-CE1 4.09Å; A189-F206 HydrophobicContact CB-CZ 4.4Å; L192-F206 HydrophobicContact CB-CB 4.32Å; L192-F206 HydrophobicContact CB-CD1 3.9Å; L192-F206 HydrophobicContact CB-CE1 4.47Å; L192-F206 HydrophobicContact CB-CG 4.23Å; L192-F206 HydrophobicContact CD1-CB 3.86Å; L192-F206 HydrophobicContact CD1-CD1 3.92Å; L192-F206 HydrophobicContact CD1-CD2 3.67Å; L192-F206 HydrophobicContact CD1-CE1 4.34Å; L192-F206 HydrophobicContact CD1-CE2 4.13Å; L192-F206 HydrophobicContact CD1-CG 3.56Å; L192-F206 HydrophobicContact CD1-CZ 4.44Å; F206-T209 VanDerWaalsContact CE1-CB 3.49Å; F206-T209 HydrophobicContact CE1-CG2 3.97Å; F206-T209 VanDerWaalsContact CE1-OG1 3.23Å; F206-T209 WeakPolarHBondContact CE1-OG1 3.23Å; F206-T209 HydrophobicContact CZ-CG2 4.19Å; F206-V418 HydrophobicContact CD2-CG1 3.77Å; F206-V418 VanDerWaalsContact CD2-O 3.27Å; F206-V418 WeakPolarHBondContact CD2-O 3.39Å; F206-V418 HydrophobicContact CE2-CG1 4.49Å
207	P	92.3	Very high	88.4	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.065	26%	0.257	C	S	.	.			trans	-62.9	146.1	171.7	-17.5	31.5	0	0	0	110.1	T209 Q262 V263 I265 Y417	P207-T209 PolarHBondContact O-N 3.09Å; P207-T209 PolarHBondContact O-OG1 3.23Å; P207-Q262 HydrophobicContact CB-CG 3.82Å; P207-Q262 HydrophobicContact CG-CG 4.38Å; P207-V263 WeakPolarHBondContact CB-O 3.44Å; P207-I265 HydrophobicContact CG-CD1 4.1Å; P207-I265 HydrophobicContact CG-CG1 4.32Å; P207-Y417 HydrophobicContact CG-CD1 4.24Å
208	K	91.7	Very high	88.5	Confident	122 Å²	122	49.3 Å²	49.3	53%	0.53	25%	0.248	S	C	.	.			trans	-56.5	127.8	176.9	-73.4	-167.7	174.6	-168.5	0	110	W210 Y222 V263	K208-W210 HydrophobicContact CB-CH2 3.88Å; K208-W210 HydrophobicContact CB-CZ2 4.32Å; K208-W210 HydrophobicContact CB-CZ3 4.3Å; K208-Y222 HydrophobicContact CD-CE2 4.38Å; K208-V263 HydrophobicContact CB-CG2 3.86Å; K208-V263 PolarHBondContact O-N 3.47Å
209	T	92.8	Very high	88.6	Confident	2 Å²	2	46 Å²	46	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.5	-166.4	-59.9	0	0	0	0	109.8	A189 N193 F206 P207 I260 C261 Q262	A189-T209 HydrophobicContact CB-CG2 3.65Å; N193-T209 PolarHBondContact ND2-O 3.38Å; F206-T209 VanDerWaalsContact CE1-CB 3.49Å; F206-T209 HydrophobicContact CE1-CG2 3.97Å; F206-T209 VanDerWaalsContact CE1-OG1 3.23Å; F206-T209 WeakPolarHBondContact CE1-OG1 3.23Å; F206-T209 HydrophobicContact CZ-CG2 4.19Å; P207-T209 PolarHBondContact O-N 3.09Å; P207-T209 PolarHBondContact O-OG1 3.23Å; T209-I260 HydrophobicContact CG2-CG2 3.21Å; T209-C261 CarbonylContact C-O 3.56Å; T209-C261 WeakPolarHBondContact CA-O 3.47Å; T209-Q262 HydrophobicContact CG2-CB 4.21Å; T209-Q262 WeakPolarHBondContact OG1-CG 3.5Å; T209-Q262 PolarHBondContact OG1-NE2 3.15Å
210	W	91.5	Very high	88.6	Confident	29 Å²	29	44.5 Å²	44.5	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.2	-175.9	-63.5	-89.3	0	0	0	110.1	K208 D215 V219 Y222 F231 I260 C261 V263	K208-W210 HydrophobicContact CB-CH2 3.88Å; K208-W210 HydrophobicContact CB-CZ2 4.32Å; K208-W210 HydrophobicContact CB-CZ3 4.3Å; W210-D215 HydrophobicContact CB-CB 3.79Å; W210-D215 HydrophobicContact CG-CB 4.35Å; W210-V219 HydrophobicContact CB-CG2 3.29Å; W210-V219 HydrophobicContact CD2-CG2 3.69Å; W210-V219 HydrophobicContact CE3-CG2 4Å; W210-V219 HydrophobicContact CG-CG2 3.39Å; W210-Y222 AromaticContact CH2-CD1 3.39Å; W210-Y222 HydrophobicContact CH2-CD1 3.39Å; W210-Y222 HydrophobicContact CH2-CD2 4.05Å; W210-Y222 AromaticContact CH2-CE1 3.69Å; W210-Y222 HydrophobicContact CH2-CE1 3.69Å; W210-Y222 HydrophobicContact CH2-CE2 4.31Å; W210-Y222 AromaticContact CH2-CG 3.6Å; W210-Y222 HydrophobicContact CH2-CG 3.6Å; W210-Y222 AromaticContact CZ2-CD1 3.9Å; W210-Y222 HydrophobicContact CZ2-CD1 3.9Å; W210-Y222 AromaticContact CZ2-CD2 3.86Å; W210-Y222 HydrophobicContact CZ2-CD2 3.86Å; W210-Y222 HydrophobicContact CZ2-CE1 4.46Å; W210-Y222 HydrophobicContact CZ2-CE2 4.42Å; W210-Y222 AromaticContact CZ2-CG 3.58Å; W210-Y222 HydrophobicContact CZ2-CG 3.58Å; W210-Y222 HydrophobicContact CZ3-CD1 4.25Å; W210-F231 HydrophobicContact CH2-CE1 4.49Å; W210-F231 HydrophobicContact CZ3-CD1 4.37Å; W210-F231 HydrophobicContact CZ3-CE1 4.09Å; W210-I260 WeakPolarHBondContact O-CA 3.33Å; W210-C261 PolarHBondContact N-O 3.5Å; W210-C261 PolarHBondContact O-N 3.25Å; W210-V263 HydrophobicContact CH2-CG2 3.73Å; W210-V263 HydrophobicContact CZ3-CG2 3.61Å
211	C	90.1	Very high	88.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105	180	-57	0	0	0	0	109.6	S214 D215	C211-S214 PolarHBondContact O-N 3.04Å; C211-S214 VanDerWaalsContact O-N 3.16Å; C211-D215 PolarHBondContact N-OD2 3.1Å; C211-D215 WeakPolarHBondContact O-CB 3.3Å; C211-D215 PolarHBondContact O-N 2.86Å
212	L	87.5	Confident	88.8	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.1	172.3	-49.3	177.6	0	0	0	109.3	W216 V219 I253 M259 C261	L212-W216 HydrophobicContact CD2-CB 3.9Å; L212-W216 HydrophobicContact CD2-CG 4.38Å; L212-V219 HydrophobicContact CD2-CG2 3.98Å; L212-I253 HydrophobicContact CD1-CG2 3.56Å; L212-I253 HydrophobicContact CD2-CG2 4.49Å; L212-M259 WeakPolarHBondContact CA-O 3.21Å; L212-M259 WeakPolarHBondContact CB-O 3.44Å; L212-M259 HydrophobicContact CD1-CB 4.48Å; L212-M259 WeakPolarHBondContact CG-O 3.33Å; L212-M259 PolarHBondContact N-O 3.36Å; L212-M259 PolarHBondContact O-N 3.32Å; L212-C261 HydrophobicContact CD1-CB 4.18Å; L212-C261 HydrophobicContact CG-CB 4.32Å
213	P	85	Confident	88.8	Confident	19 Å²	19	34 Å²	34	12%	0.123	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.9	-15	3.8	32.1	-36.8	0	0	0	114.9	D215 W216 P255 N258	P213-D215 VanDerWaalsContact C-N 3.32Å; P213-D215 PolarHBondContact O-N 3.29Å; P213-W216 WeakPolarHBondContact O-CB 3.33Å; P213-W216 PolarHBondContact O-N 3.34Å; P213-W216 VanDerWaalsContact O-N 3.14Å; P213-P255 VanDerWaalsContact CB-O 3.3Å; P213-P255 WeakPolarHBondContact CB-O 3.47Å; P213-N258 WeakPolarHBondContact CD-OD1 3.45Å
214	S	83.5	Confident	88.7	Confident	26 Å²	26	39.8 Å²	39.8	18%	0.182	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-43.4	-171.9	-55.5	0	0	0	0	114.4	C211	C211-S214 PolarHBondContact O-N 3.04Å; C211-S214 VanDerWaalsContact O-N 3.16Å
215	D	86.2	Confident	88.6	Confident	24 Å²	24	43.9 Å²	43.9	13%	0.128	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	12.1	-174	-59.1	-18.1	0	0	0	112.7	W210 C211 P213 N217 D218 V219	W210-D215 HydrophobicContact CB-CB 3.79Å; W210-D215 HydrophobicContact CG-CB 4.35Å; C211-D215 PolarHBondContact N-OD2 3.1Å; C211-D215 WeakPolarHBondContact O-CB 3.3Å; C211-D215 PolarHBondContact O-N 2.86Å; P213-D215 VanDerWaalsContact C-N 3.32Å; P213-D215 PolarHBondContact O-N 3.29Å; D215-N217 VanDerWaalsContact C-N 3.31Å; D215-N217 PolarHBondContact O-N 2.65Å; D215-D218 WeakPolarHBondContact O-CB 3.42Å; D215-D218 PolarHBondContact O-N 3.15Å; D215-V219 PolarHBondContact O-N 3.11Å; D215-V219 VanDerWaalsContact O-N 3.09Å
216	W	86.1	Confident	88.4	Confident	58 Å²	58	47.7 Å²	47.7	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-38.5	-172.2	-178	88.7	0	0	0	113.4	L212 P213 D218 V219 Q220 I253 P255	L212-W216 HydrophobicContact CD2-CB 3.9Å; L212-W216 HydrophobicContact CD2-CG 4.38Å; P213-W216 WeakPolarHBondContact O-CB 3.33Å; P213-W216 PolarHBondContact O-N 3.34Å; P213-W216 VanDerWaalsContact O-N 3.14Å; W216-D218 VanDerWaalsContact C-N 3.31Å; W216-D218 PolarHBondContact O-N 3.4Å; W216-V219 PolarHBondContact O-N 2.87Å; W216-Q220 HydrophobicContact CD2-CG 3.81Å; W216-Q220 HydrophobicContact CE3-CG 3.92Å; W216-Q220 HydrophobicContact CH2-CG 3.76Å; W216-Q220 HydrophobicContact CZ2-CG 3.62Å; W216-Q220 HydrophobicContact CZ3-CG 3.89Å; W216-Q220 WeakPolarHBondContact O-CG 3.43Å; W216-Q220 PolarHBondContact O-N 2.78Å; W216-I253 PolarHBondContact NE1-O 3.38Å; W216-P255 HydrophobicContact CD2-CB 3.87Å; W216-P255 HydrophobicContact CE3-CB 4.47Å; W216-P255 HydrophobicContact CG-CB 4.05Å; W216-P255 HydrophobicContact CZ2-CB 4.15Å; W216-P255 HydrophobicContact CZ2-CG 4.44Å
217	N	85.4	Confident	87.9	Confident	105 Å²	105	56 Å²	56	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-61.9	-38.4	176	-73.8	-36.7	0	0	0	112.2	D215 Q220 N221	D215-N217 VanDerWaalsContact C-N 3.31Å; D215-N217 PolarHBondContact O-N 2.65Å; N217-Q220 PolarHBondContact O-N 2.96Å; N217-N221 WeakPolarHBondContact O-CB 3.47Å; N217-N221 VanDerWaalsContact O-CG 3.24Å; N217-N221 PolarHBondContact O-N 2.81Å; N217-N221 PolarHBondContact O-ND2 3.03Å
218	D	88.4	Confident	87.4	Confident	82 Å²	82	60.2 Å²	60.2	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-69.6	-38.4	177.5	-74.5	-14.1	0	0	0	111.5	D215 W216 N221 Y222	D215-D218 WeakPolarHBondContact O-CB 3.42Å; D215-D218 PolarHBondContact O-N 3.15Å; W216-D218 VanDerWaalsContact C-N 3.31Å; W216-D218 PolarHBondContact O-N 3.4Å; D218-N221 PolarHBondContact O-N 2.96Å; D218-Y222 VanDerWaalsContact O-CB 3.25Å; D218-Y222 WeakPolarHBondContact O-CB 3.49Å; D218-Y222 PolarHBondContact O-N 3.49Å
219	V	88.1	Confident	87.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-47.3	172.4	176.2	0	0	0	0	111	W210 L212 D215 W216 N221 Y222 A223 I253 C261	W210-V219 HydrophobicContact CB-CG2 3.29Å; W210-V219 HydrophobicContact CD2-CG2 3.69Å; W210-V219 HydrophobicContact CE3-CG2 4Å; W210-V219 HydrophobicContact CG-CG2 3.39Å; L212-V219 HydrophobicContact CD2-CG2 3.98Å; D215-V219 PolarHBondContact O-N 3.11Å; D215-V219 VanDerWaalsContact O-N 3.09Å; W216-V219 PolarHBondContact O-N 2.87Å; V219-N221 PolarHBondContact O-N 2.77Å; V219-Y222 PolarHBondContact O-N 3.22Å; V219-A223 VanDerWaalsContact O-CB 3.31Å; V219-A223 WeakPolarHBondContact O-CB 3.33Å; V219-A223 PolarHBondContact O-N 2.88Å; V219-I253 HydrophobicContact CG1-CD1 3.58Å; V219-I253 HydrophobicContact CG1-CG2 4.32Å; V219-C261 HydrophobicContact CG1-CB 4.43Å; V219-C261 HydrophobicContact CG2-CB 4.12Å
220	Q	87.1	Confident	87.1	Confident	18 Å²	18	58.8 Å²	58.8	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-45.5	177.1	-69.8	-62.3	-30.6	0	0	111.5	W216 N217 A223 R224 A250	W216-Q220 HydrophobicContact CD2-CG 3.81Å; W216-Q220 HydrophobicContact CE3-CG 3.92Å; W216-Q220 HydrophobicContact CH2-CG 3.76Å; W216-Q220 HydrophobicContact CZ2-CG 3.62Å; W216-Q220 HydrophobicContact CZ3-CG 3.89Å; W216-Q220 WeakPolarHBondContact O-CG 3.43Å; W216-Q220 PolarHBondContact O-N 2.78Å; N217-Q220 PolarHBondContact O-N 2.96Å; Q220-A223 PolarHBondContact O-N 2.94Å; Q220-R224 WeakPolarHBondContact O-CB 3.4Å; Q220-R224 WeakPolarHBondContact O-CG 3.33Å; Q220-R224 PolarHBondContact O-N 2.8Å; Q220-A250 PolarHBondContact NE2-O 3.32Å
221	N	88.9	Confident	87.2	Confident	70 Å²	70	57.5 Å²	57.5	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-38.8	178.2	-73.4	-25.4	0	0	0	112.4	N217 D218 V219 R224 K225	N217-N221 WeakPolarHBondContact O-CB 3.47Å; N217-N221 VanDerWaalsContact O-CG 3.24Å; N217-N221 PolarHBondContact O-N 2.81Å; N217-N221 PolarHBondContact O-ND2 3.03Å; D218-N221 PolarHBondContact O-N 2.96Å; V219-N221 PolarHBondContact O-N 2.77Å; N221-R224 PolarHBondContact OD1-NH1 2.98Å; N221-R224 VanDerWaalsContact OD1-NH1 3.1Å; N221-K225 WeakPolarHBondContact O-CG 3.28Å; N221-K225 PolarHBondContact O-N 3.31Å
222	Y	90	Very high	87.2	Confident	40 Å²	40	58.1 Å²	58.1	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-45.1	174.9	-175.7	-93.4	0	0	0	112	K208 W210 D218 V219 K225 H226 F231 V263	K208-Y222 HydrophobicContact CD-CE2 4.38Å; W210-Y222 AromaticContact CH2-CD1 3.39Å; W210-Y222 HydrophobicContact CH2-CD1 3.39Å; W210-Y222 HydrophobicContact CH2-CD2 4.05Å; W210-Y222 AromaticContact CH2-CE1 3.69Å; W210-Y222 HydrophobicContact CH2-CE1 3.69Å; W210-Y222 HydrophobicContact CH2-CE2 4.31Å; W210-Y222 AromaticContact CH2-CG 3.6Å; W210-Y222 HydrophobicContact CH2-CG 3.6Å; W210-Y222 AromaticContact CZ2-CD1 3.9Å; W210-Y222 HydrophobicContact CZ2-CD1 3.9Å; W210-Y222 AromaticContact CZ2-CD2 3.86Å; W210-Y222 HydrophobicContact CZ2-CD2 3.86Å; W210-Y222 HydrophobicContact CZ2-CE1 4.46Å; W210-Y222 HydrophobicContact CZ2-CE2 4.42Å; W210-Y222 AromaticContact CZ2-CG 3.58Å; W210-Y222 HydrophobicContact CZ2-CG 3.58Å; W210-Y222 HydrophobicContact CZ3-CD1 4.25Å; D218-Y222 VanDerWaalsContact O-CB 3.25Å; D218-Y222 WeakPolarHBondContact O-CB 3.49Å; D218-Y222 PolarHBondContact O-N 3.49Å; V219-Y222 PolarHBondContact O-N 3.22Å; Y222-K225 PolarHBondContact O-N 3.18Å; Y222-H226 AromaticContact CD2-CD2 3.55Å; Y222-H226 HydrophobicContact CE1-CB 4.26Å; Y222-H226 AromaticContact CE1-CD2 3.91Å; Y222-H226 AromaticContact CE2-CD2 3.17Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.42Å; Y222-H226 AromaticContact CE2-NE2 3.53Å; Y222-H226 AromaticContact CZ-CD2 3.36Å; Y222-H226 PolarHBondContact O-CD2 2.86Å; Y222-H226 PolarHBondContact O-N 3.33Å; Y222-F231 AromaticContact CD1-CE1 3.78Å; Y222-F231 HydrophobicContact CD1-CE1 3.78Å; Y222-F231 AromaticContact CD1-CZ 3.86Å; Y222-F231 HydrophobicContact CD1-CZ 3.86Å; Y222-F231 AromaticContact CE1-CE1 3.93Å; Y222-F231 HydrophobicContact CE1-CE1 3.93Å; Y222-F231 HydrophobicContact CE1-CZ 4.07Å; Y222-V263 HydrophobicContact CE1-CG2 4Å
223	A	87.9	Confident	87.3	Confident	9 Å²	9	57.8 Å²	57.8	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-34.9	-180	0	0	0	0	0	112.7	V219 Q220 K225 H226 K227 F231 A250	V219-A223 VanDerWaalsContact O-CB 3.31Å; V219-A223 WeakPolarHBondContact O-CB 3.33Å; V219-A223 PolarHBondContact O-N 2.88Å; Q220-A223 PolarHBondContact O-N 2.94Å; A223-K225 VanDerWaalsContact C-N 3.34Å; A223-H226 CarbonylContact O-C 3.6Å; A223-H226 PolarHBondContact O-N 3.47Å; A223-K227 PolarHBondContact O-N 3.36Å; A223-F231 HydrophobicContact CB-CE2 3.96Å; A223-F231 HydrophobicContact CB-CZ 3.91Å; A223-A250 HydrophobicContact CB-CB 3.67Å
224	R	86.6	Confident	87.4	Confident	122 Å²	122	57.6 Å²	57.6	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-43.2	169.5	-71.9	168.2	-156.3	173.3	5.3	111.8	Q220 N221	Q220-R224 WeakPolarHBondContact O-CB 3.4Å; Q220-R224 WeakPolarHBondContact O-CG 3.33Å; Q220-R224 PolarHBondContact O-N 2.8Å; N221-R224 PolarHBondContact OD1-NH1 2.98Å; N221-R224 VanDerWaalsContact OD1-NH1 3.1Å
225	K	88.8	Confident	87.5	Confident	169 Å²	169	57.7 Å²	57.7	74%	0.735	28%	0.278	S	S	*	.	H	α-helix	trans	-72.4	-29.8	178.5	-71.8	177.5	179.4	-176.2	0	113.1	N221 Y222 A223	N221-K225 WeakPolarHBondContact O-CG 3.28Å; N221-K225 PolarHBondContact O-N 3.31Å; Y222-K225 PolarHBondContact O-N 3.18Å; A223-K225 VanDerWaalsContact C-N 3.34Å
226	H	86.5	Confident	86.9	Confident	80 Å²	80	57.7 Å²	57.7	37%	0.37	28%	0.278	S	S	.	.			trans	-127.2	60.1	-173.5	-59.7	-67.9	0	0	0	113.7	Y222 A223 S228 K229	Y222-H226 AromaticContact CD2-CD2 3.55Å; Y222-H226 HydrophobicContact CE1-CB 4.26Å; Y222-H226 AromaticContact CE1-CD2 3.91Å; Y222-H226 AromaticContact CE2-CD2 3.17Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.42Å; Y222-H226 AromaticContact CE2-NE2 3.53Å; Y222-H226 AromaticContact CZ-CD2 3.36Å; Y222-H226 PolarHBondContact O-CD2 2.86Å; Y222-H226 PolarHBondContact O-N 3.33Å; A223-H226 CarbonylContact O-C 3.6Å; A223-H226 PolarHBondContact O-N 3.47Å; H226-S228 PolarHBondContact O-N 3Å; H226-K229 HydrophobicContact CB-CB 4.44Å; H226-K229 HydrophobicContact CB-CG 3.81Å; H226-K229 WeakPolarHBondContact O-CB 3.29Å; H226-K229 PolarHBondContact O-N 2.8Å
227	K	81.6	Confident	86.1	Confident	184 Å²	184	61.2 Å²	61.2	80%	0.8	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-21.1	-177	-61.4	178.5	-178.3	174.6	0	116.5	A223	A223-K227 PolarHBondContact O-N 3.36Å
228	S	81.8	Confident	85.2	Confident	98 Å²	98	57.2 Å²	57.2	69%	0.685	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.5	179.9	56.5	0	0	0	0	114.5	H226	H226-S228 PolarHBondContact O-N 3Å
229	K	88.4	Confident	84	Confident	87 Å²	87	56.2 Å²	56.2	38%	0.378	28%	0.283	S	S	.	.			trans	-76.3	152.3	-177.8	-67.9	-64.8	-178.7	-173.7	0	112.1	H226 F231	H226-K229 HydrophobicContact CB-CB 4.44Å; H226-K229 HydrophobicContact CB-CG 3.81Å; H226-K229 WeakPolarHBondContact O-CB 3.29Å; H226-K229 PolarHBondContact O-N 2.8Å; K229-F231 HydrophobicContact CB-CE2 4.31Å; K229-F231 HydrophobicContact CB-CZ 4.11Å
230	T	90.9	Very high	82.9	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.043	31%	0.306	C	S	.	.			trans	-111.1	141	175.3	-55.3	0	0	0	0	107.9	I246 K248 Y264 P310	T230-I246 HydrophobicContact CG2-CG2 3.38Å; T230-K248 HydrophobicContact CG2-CG 4.09Å; T230-K248 WeakPolarHBondContact OG1-CE 3.46Å; T230-Y264 HydrophobicContact CG2-CD1 4.19Å; T230-Y264 HydrophobicContact CG2-CG 4.35Å; T230-Y264 WeakPolarHBondContact O-CB 3.23Å; T230-Y264 PolarHBondContact O-N 2.81Å; T230-P310 HydrophobicContact CG2-CB 3.91Å; T230-P310 HydrophobicContact CG2-CG 3.95Å
231	F	91.9	Very high	81.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.9	-179	-56.9	-84.4	0	0	0	109.5	W210 Y222 A223 K229 I246 T247 Q262 V263	W210-F231 HydrophobicContact CH2-CE1 4.49Å; W210-F231 HydrophobicContact CZ3-CD1 4.37Å; W210-F231 HydrophobicContact CZ3-CE1 4.09Å; Y222-F231 AromaticContact CD1-CE1 3.78Å; Y222-F231 HydrophobicContact CD1-CE1 3.78Å; Y222-F231 AromaticContact CD1-CZ 3.86Å; Y222-F231 HydrophobicContact CD1-CZ 3.86Å; Y222-F231 AromaticContact CE1-CE1 3.93Å; Y222-F231 HydrophobicContact CE1-CE1 3.93Å; Y222-F231 HydrophobicContact CE1-CZ 4.07Å; A223-F231 HydrophobicContact CB-CE2 3.96Å; A223-F231 HydrophobicContact CB-CZ 3.91Å; K229-F231 HydrophobicContact CB-CE2 4.31Å; K229-F231 HydrophobicContact CB-CZ 4.11Å; F231-I246 CarbonylContact O-C 3.5Å; F231-I246 WeakPolarHBondContact O-CA 3.26Å; F231-I246 WeakPolarHBondContact O-CG2 3.46Å; F231-T247 PolarHBondContact N-O 3.45Å; F231-T247 PolarHBondContact O-N 3.46Å; F231-Q262 CarbonylContact C-O 3.54Å; F231-Q262 WeakPolarHBondContact CA-O 3.45Å; F231-V263 HydrophobicContact CD1-CG2 4.46Å; F231-V263 HydrophobicContact CE1-CG2 4.22Å
232	I	91.2	Very high	80.8	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.072	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.5	169.8	-175.1	168.6	0	0	0	107.8	K234 I244 I246 Q262 Y264 L322	I232-K234 HydrophobicContact CG1-CG 4.46Å; I232-I244 HydrophobicContact CD1-CG2 3.75Å; I232-I244 HydrophobicContact CG1-CG2 3.65Å; I232-I246 HydrophobicContact CB-CG1 4.11Å; I232-I246 HydrophobicContact CD1-CD1 4.38Å; I232-I246 HydrophobicContact CD1-CG1 4.22Å; I232-I246 HydrophobicContact CG1-CG1 3.91Å; I232-Q262 HydrophobicContact CG2-CB 3.94Å; I232-Q262 HydrophobicContact CG2-CG 4.23Å; I232-Q262 PolarHBondContact N-O 2.86Å; I232-Q262 PolarHBondContact O-N 2.88Å; I232-Y264 HydrophobicContact CB-CD2 3.98Å; I232-Y264 HydrophobicContact CD1-CD2 4.14Å; I232-Y264 HydrophobicContact CD1-CE2 4.41Å; I232-Y264 HydrophobicContact CG2-CD2 4.1Å; I232-L322 HydrophobicContact CD1-CD2 3.99Å
233	I	90	Very high	80.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.5	-178.5	-64.1	177.7	0	0	0	107.8	I244 Y245 T247 I253 M259 I260 C261	I233-I244 WeakPolarHBondContact O-CA 3.42Å; I233-Y245 HydrophobicContact CB-CD1 4.15Å; I233-Y245 HydrophobicContact CB-CE1 3.8Å; I233-Y245 HydrophobicContact CB-CE2 4.29Å; I233-Y245 HydrophobicContact CD1-CE1 4.45Å; I233-Y245 HydrophobicContact CD1-CE2 3.78Å; I233-Y245 HydrophobicContact CG1-CE2 4.48Å; I233-Y245 HydrophobicContact CG2-CD1 4.27Å; I233-Y245 HydrophobicContact CG2-CE1 3.57Å; I233-Y245 PolarHBondContact N-O 2.77Å; I233-Y245 PolarHBondContact O-N 2.68Å; I233-T247 HydrophobicContact CD1-CG2 4.1Å; I233-I253 HydrophobicContact CD1-CB 4.37Å; I233-I253 HydrophobicContact CD1-CG1 3.98Å; I233-I253 HydrophobicContact CD1-CG2 4.09Å; I233-M259 HydrophobicContact CG2-CB 3.89Å; I233-M259 HydrophobicContact CG2-CG 4.31Å; I233-M259 HydrophobicContact CG2-SD 3.55Å; I233-M259 VanDerWaalsContact CG2-SD 3.55Å; I233-I260 WeakPolarHBondContact CA-O 3.41Å; I233-C261 HydrophobicContact CG1-CB 4.36Å
234	K	87.3	Confident	80.1	Confident	14 Å²	14	66 Å²	66	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.5	-176.3	-48.3	-178.1	-166.2	174.4	0	109.3	I232 I244 I260 Q262 L419	I232-K234 HydrophobicContact CG1-CG 4.46Å; K234-I244 HydrophobicContact CB-CG1 4.34Å; K234-I244 HydrophobicContact CD-CD1 4.47Å; K234-I244 HydrophobicContact CG-CD1 4.15Å; K234-I244 HydrophobicContact CG-CG1 4.3Å; K234-I260 PolarHBondContact N-O 2.72Å; K234-I260 PolarHBondContact O-N 2.98Å; K234-Q262 VanDerWaalsContact CE-OE1 3.23Å; K234-L419 PolarHBondContact NZ-O 2.9Å
235	P	83.7	Confident	80.1	Confident	28 Å²	28	63.4 Å²	63.4	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140	172.9	23.7	-29.2	0	0	0	111.7	N237 G238 R242 G243	P235-N237 PolarHBondContact O-N 3.34Å; P235-G238 WeakPolarHBondContact O-CA 3.33Å; P235-G238 PolarHBondContact O-N 3.14Å; P235-R242 WeakPolarHBondContact CG-O 3.4Å; P235-G243 WeakPolarHBondContact CD-O 3.35Å
236	D	75.4	Confident	80.1	Confident	25 Å²	25	56 Å²	56	13%	0.134	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-47.4	-167.1	-54.3	-13.9	0	0	0	113.6	G238 N258 M259 I260	D236-G238 VanDerWaalsContact C-N 3.32Å; D236-N258 WeakPolarHBondContact OD2-CB 3.31Å; D236-M259 VanDerWaalsContact OD1-C 3.26Å; D236-M259 WeakPolarHBondContact OD1-CA 3.37Å; D236-M259 PolarHBondContact OD1-N 3.38Å; D236-I260 HydrophobicContact CB-CD1 4.49Å; D236-I260 WeakPolarHBondContact OD1-CG1 3.33Å; D236-I260 PolarHBondContact OD1-N 3.11Å
237	N	67.9	Low	80.2	Confident	132 Å²	132	52.3 Å²	52.3	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	11	178.7	-62.1	-26.4	0	0	0	112.2	R184 P235	R184-N237 PolarHBondContact NH1-OD1 3.05Å; R184-N237 PolarHBondContact NH2-OD1 2.93Å; P235-N237 PolarHBondContact O-N 3.34Å
238	G	66.2	Low	80.3	Confident	21 Å²	21	46.8 Å²	46.8	22%	0.216	25%	0.253	C	S	.	.			trans	-79.2	134.3	-175.1	0	0	0	0	0	114	K185 P235 D236	K185-G238 PolarHBondContact NZ-O 2.85Å; P235-G238 WeakPolarHBondContact O-CA 3.33Å; P235-G238 PolarHBondContact O-N 3.14Å; D236-G238 VanDerWaalsContact C-N 3.32Å
239	C	64.1	Low	80.4	Confident	60 Å²	60	45.6 Å²	45.6	41%	0.405	24%	0.239	S	C	.	.			trans	-119.6	168	174.7	69	0	0	0	0	111.7	G241 R242	C239-G241 PolarHBondContact O-N 3.2Å; C239-R242 PolarHBondContact O-N 3.48Å; C239-R242 VanDerWaalsContact O-N 3.12Å; C239-R242 PolarHBondContact SG-NH2 3.36Å
240	Q	64.5	Low	80	Confident	103 Å²	103	42.6 Å²	42.6	48%	0.481	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	11.6	171.4	-61.6	166.5	-40.6	0	0	115.9	R242 A326	Q240-R242 VanDerWaalsContact C-N 3.34Å; Q240-R242 VanDerWaalsContact OE1-NH2 3.13Å; Q240-A326 HydrophobicContact CB-CB 3.7Å; Q240-A326 HydrophobicContact CG-CB 3.97Å
241	G	63	Low	79.4	Confident	4 Å²	4	51.6 Å²	51.6	4%	0.041	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-0.1	-175.3	0	0	0	0	0	115.2	C239 G243 I244	C239-G241 PolarHBondContact O-N 3.2Å; G241-G243 PolarHBondContact O-N 2.95Å; G241-I244 WeakPolarHBondContact O-CB 3.45Å; G241-I244 PolarHBondContact O-N 2.86Å
242	R	69.4	Low	78.9	Confident	163 Å²	163	54.8 Å²	54.8	62%	0.615	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	133.1	-179.2	-67.4	-173.5	-74.1	156	-4.5	111.2	P235 C239 Q240 I244	P235-R242 WeakPolarHBondContact CG-O 3.4Å; C239-R242 PolarHBondContact O-N 3.48Å; C239-R242 VanDerWaalsContact O-N 3.12Å; C239-R242 PolarHBondContact SG-NH2 3.36Å; Q240-R242 VanDerWaalsContact C-N 3.34Å; Q240-R242 VanDerWaalsContact OE1-NH2 3.13Å; R242-I244 PolarHBondContact O-N 3.38Å
243	G	78.6	Confident	78.4	Confident	51 Å²	51	54.2 Å²	54.2	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	5	-177.3	0	0	0	0	0	115.2	P235 G241	P235-G243 WeakPolarHBondContact CD-O 3.35Å; G241-G243 PolarHBondContact O-N 2.95Å
244	I	84.2	Confident	77.8	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.108	31%	0.308	C	S	.	.			trans	-77.3	129	172.3	-60.5	-172.6	0	0	0	109.3	I232 I233 K234 G241 R242 L322	I232-I244 HydrophobicContact CD1-CG2 3.75Å; I232-I244 HydrophobicContact CG1-CG2 3.65Å; I233-I244 WeakPolarHBondContact O-CA 3.42Å; K234-I244 HydrophobicContact CB-CG1 4.34Å; K234-I244 HydrophobicContact CD-CD1 4.47Å; K234-I244 HydrophobicContact CG-CD1 4.15Å; K234-I244 HydrophobicContact CG-CG1 4.3Å; G241-I244 WeakPolarHBondContact O-CB 3.45Å; G241-I244 PolarHBondContact O-N 2.86Å; R242-I244 PolarHBondContact O-N 3.38Å; I244-L322 HydrophobicContact CB-CD1 4.25Å; I244-L322 HydrophobicContact CG2-CD1 4.24Å; I244-L322 HydrophobicContact CG2-CD2 3.89Å
245	Y	86.6	Confident	77.1	Confident	68 Å²	68	63.2 Å²	63.2	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.1	171	67.3	-80.6	0	0	0	111.1	I233 M259	I233-Y245 HydrophobicContact CB-CD1 4.15Å; I233-Y245 HydrophobicContact CB-CE1 3.8Å; I233-Y245 HydrophobicContact CB-CE2 4.29Å; I233-Y245 HydrophobicContact CD1-CE1 4.45Å; I233-Y245 HydrophobicContact CD1-CE2 3.78Å; I233-Y245 HydrophobicContact CG1-CE2 4.48Å; I233-Y245 HydrophobicContact CG2-CD1 4.27Å; I233-Y245 HydrophobicContact CG2-CE1 3.57Å; I233-Y245 PolarHBondContact N-O 2.77Å; I233-Y245 PolarHBondContact O-N 2.68Å; Y245-M259 HydrophobicContact CE1-SD 4.04Å
246	I	89.3	Confident	76.6	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.072	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.6	179.3	-65.3	172.5	0	0	0	107.9	T230 F231 I232 Y264 V315 H321	T230-I246 HydrophobicContact CG2-CG2 3.38Å; F231-I246 CarbonylContact O-C 3.5Å; F231-I246 WeakPolarHBondContact O-CA 3.26Å; F231-I246 WeakPolarHBondContact O-CG2 3.46Å; I232-I246 HydrophobicContact CB-CG1 4.11Å; I232-I246 HydrophobicContact CD1-CD1 4.38Å; I232-I246 HydrophobicContact CD1-CG1 4.22Å; I232-I246 HydrophobicContact CG1-CG1 3.91Å; I246-Y264 HydrophobicContact CD1-CD2 4.19Å; I246-Y264 HydrophobicContact CD1-CE2 3.95Å; I246-V315 HydrophobicContact CB-CG1 4.12Å; I246-V315 HydrophobicContact CG2-CB 4.47Å; I246-V315 HydrophobicContact CG2-CG1 4Å; I246-V315 HydrophobicContact CG2-CG2 3.97Å; I246-V315 WeakPolarHBondContact O-CG1 3.44Å; I246-H321 HydrophobicContact CD1-CB 3.6Å
247	T	87.6	Confident	76.5	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.3	172.8	178.3	0	0	0	0	111.9	F231 I233 N249 D252 I253	F231-T247 PolarHBondContact N-O 3.45Å; F231-T247 PolarHBondContact O-N 3.46Å; I233-T247 HydrophobicContact CD1-CG2 4.1Å; T247-N249 PolarHBondContact OG1-N 3.06Å; T247-N249 PolarHBondContact OG1-O 3.27Å; T247-D252 HydrophobicContact CG2-CB 4.3Å; T247-D252 PolarHBondContact OG1-OD2 3.15Å; T247-I253 HydrophobicContact CG2-CG1 4.26Å
248	K	85.3	Confident	77.2	Confident	68 Å²	68	66.8 Å²	66.8	30%	0.296	34%	0.344	S	S	.	.	S	Bend	trans	-108.6	-6.4	169.1	-53	-169.6	70.8	165.3	0	112.4	T230 P310 V315	T230-K248 HydrophobicContact CG2-CG 4.09Å; T230-K248 WeakPolarHBondContact OG1-CE 3.46Å; K248-P310 PolarHBondContact NZ-O 3.4Å; K248-V315 HydrophobicContact CD-CG2 4.34Å; K248-V315 HydrophobicContact CG-CG2 4.25Å
249	N	82.3	Confident	78.2	Confident	73 Å²	73	67 Å²	67	39%	0.39	34%	0.34	S	S	.	.			trans	-106.6	125.1	-176.1	-41.7	-59.9	0	0	0	110.7	T247 K251 D252	T247-N249 PolarHBondContact OG1-N 3.06Å; T247-N249 PolarHBondContact OG1-O 3.27Å; N249-K251 PolarHBondContact O-N 3.05Å; N249-K251 VanDerWaalsContact O-N 3.08Å; N249-D252 WeakPolarHBondContact CB-OD2 3.2Å; N249-D252 PolarHBondContact ND2-OD2 3.45Å; N249-D252 PolarHBondContact O-N 3.22Å
250	A	79.6	Confident	79.4	Confident	23 Å²	23	64.3 Å²	64.3	19%	0.19	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-59.9	-21.1	174.6	0	0	0	0	0	113.7	Q220 A223 D252	Q220-A250 PolarHBondContact NE2-O 3.32Å; A223-A250 HydrophobicContact CB-CB 3.67Å; A250-D252 VanDerWaalsContact C-N 3.34Å
251	K	79.1	Confident	80.7	Confident	196 Å²	196	59.4 Å²	59.4	85%	0.852	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-71.7	-25.2	180	-66.4	-176.3	177.5	-178.9	0	113.8	N249 I253	N249-K251 PolarHBondContact O-N 3.05Å; N249-K251 VanDerWaalsContact O-N 3.08Å; K251-I253 PolarHBondContact O-N 3.1Å
252	D	80.9	Confident	82.1	Confident	70 Å²	70	59.5 Å²	59.5	37%	0.374	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-80.4	-9.1	-175.6	-48.4	-10.3	0	0	0	111.4	T247 N249 A250 R254	T247-D252 HydrophobicContact CG2-CB 4.3Å; T247-D252 PolarHBondContact OG1-OD2 3.15Å; N249-D252 WeakPolarHBondContact CB-OD2 3.2Å; N249-D252 PolarHBondContact ND2-OD2 3.45Å; N249-D252 PolarHBondContact O-N 3.22Å; A250-D252 VanDerWaalsContact C-N 3.34Å; D252-R254 PolarHBondContact O-N 3.09Å
253	I	81.1	Confident	83.2	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	-87.5	93.4	-175.9	-46.1	-171.8	0	0	0	108.8	L212 W216 V219 I233 T247 K251	L212-I253 HydrophobicContact CD1-CG2 3.56Å; L212-I253 HydrophobicContact CD2-CG2 4.49Å; W216-I253 PolarHBondContact NE1-O 3.38Å; V219-I253 HydrophobicContact CG1-CD1 3.58Å; V219-I253 HydrophobicContact CG1-CG2 4.32Å; I233-I253 HydrophobicContact CD1-CB 4.37Å; I233-I253 HydrophobicContact CD1-CG1 3.98Å; I233-I253 HydrophobicContact CD1-CG2 4.09Å; T247-I253 HydrophobicContact CG2-CG1 4.26Å; K251-I253 PolarHBondContact O-N 3.1Å
254	R	77.1	Confident	84	Confident	138 Å²	138	50.9 Å²	50.9	52%	0.521	25%	0.252	S	S	.	.			trans	-69.3	134.6	-174.9	-63.2	-172.4	-70.1	-145.3	5.4	111.4	D252 V256 E257	D252-R254 PolarHBondContact O-N 3.09Å; R254-V256 VanDerWaalsContact C-N 3.3Å; R254-V256 PolarHBondContact O-N 3.38Å; R254-E257 IonicContact CZ-OE1 3.37Å; R254-E257 IonicContact CZ-OE2 3.98Å; R254-E257 VanDerWaalsContact CZ-OE2 3.23Å; R254-E257 VanDerWaalsContact NE-CD 3.33Å; R254-E257 IonicContact NE-OE1 2.7Å; R254-E257 IonicContact NE-OE2 2.71Å; R254-E257 PolarHBondContact NE-OE2 3.05Å; R254-E257 IonicContact NH2-OE1 2.68Å; R254-E257 PolarHBondContact NH2-OE1 3.43Å; R254-E257 IonicContact NH2-OE2 3.9Å; R254-E257 PolarHBondContact NH2-OE2 2.86Å
255	P	73.5	Confident	84.4	Confident	65 Å²	65	51.2 Å²	51.2	42%	0.422	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.2	-175.6	31	-35.8	0	0	0	115	P213 W216	P213-P255 VanDerWaalsContact CB-O 3.3Å; P213-P255 WeakPolarHBondContact CB-O 3.47Å; W216-P255 HydrophobicContact CD2-CB 3.87Å; W216-P255 HydrophobicContact CE3-CB 4.47Å; W216-P255 HydrophobicContact CG-CB 4.05Å; W216-P255 HydrophobicContact CZ2-CB 4.15Å; W216-P255 HydrophobicContact CZ2-CG 4.44Å
256	V	72.1	Confident	84.6	Confident	105 Å²	105	49.7 Å²	49.7	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-18.4	-170.1	-169.1	0	0	0	0	112.4	R254	R254-V256 VanDerWaalsContact C-N 3.3Å; R254-V256 PolarHBondContact O-N 3.38Å
257	E	74.3	Confident	84.7	Confident	55 Å²	55	55.5 Å²	55.5	26%	0.257	27%	0.274	S	S	.	.	S	Bend	trans	-94.7	136.4	-169.1	-61.9	-178.9	122.8	0	0	112.5	R254 M259	R254-E257 IonicContact CZ-OE1 3.37Å; R254-E257 IonicContact CZ-OE2 3.98Å; R254-E257 VanDerWaalsContact CZ-OE2 3.23Å; R254-E257 VanDerWaalsContact NE-CD 3.33Å; R254-E257 IonicContact NE-OE1 2.7Å; R254-E257 IonicContact NE-OE2 2.71Å; R254-E257 PolarHBondContact NE-OE2 3.05Å; R254-E257 IonicContact NH2-OE1 2.68Å; R254-E257 PolarHBondContact NH2-OE1 3.43Å; R254-E257 IonicContact NH2-OE2 3.9Å; R254-E257 PolarHBondContact NH2-OE2 2.86Å; E257-M259 HydrophobicContact CB-CE 4Å; E257-M259 HydrophobicContact CB-CG 3.96Å; E257-M259 HydrophobicContact CB-SD 4.07Å; E257-M259 HydrophobicContact CG-CE 4.31Å; E257-M259 PolarHBondContact O-N 2.92Å; E257-M259 VanDerWaalsContact O-N 3.1Å
258	N	82.3	Confident	85.1	Confident	99 Å²	99	55.7 Å²	55.7	53%	0.529	28%	0.275	S	S	.	.			trans	-75.1	95.5	171.2	-66.7	-2.9	0	0	0	108.5	P213 D236	P213-N258 WeakPolarHBondContact CD-OD1 3.45Å; D236-N258 WeakPolarHBondContact OD2-CB 3.31Å
259	M	87	Confident	85.6	Confident	25 Å²	25	53.4 Å²	53.4	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.3	-174.2	-67.3	-172.5	179.4	0	0	110.6	L212 I233 D236 Y245 E257	L212-M259 WeakPolarHBondContact CA-O 3.21Å; L212-M259 WeakPolarHBondContact CB-O 3.44Å; L212-M259 HydrophobicContact CD1-CB 4.48Å; L212-M259 WeakPolarHBondContact CG-O 3.33Å; L212-M259 PolarHBondContact N-O 3.36Å; L212-M259 PolarHBondContact O-N 3.32Å; I233-M259 HydrophobicContact CG2-CB 3.89Å; I233-M259 HydrophobicContact CG2-CG 4.31Å; I233-M259 HydrophobicContact CG2-SD 3.55Å; I233-M259 VanDerWaalsContact CG2-SD 3.55Å; D236-M259 VanDerWaalsContact OD1-C 3.26Å; D236-M259 WeakPolarHBondContact OD1-CA 3.37Å; D236-M259 PolarHBondContact OD1-N 3.38Å; Y245-M259 HydrophobicContact CE1-SD 4.04Å; E257-M259 HydrophobicContact CB-CE 4Å; E257-M259 HydrophobicContact CB-CG 3.96Å; E257-M259 HydrophobicContact CB-SD 4.07Å; E257-M259 HydrophobicContact CG-CE 4.31Å; E257-M259 PolarHBondContact O-N 2.92Å; E257-M259 VanDerWaalsContact O-N 3.1Å
260	I	90	Very high	86.2	Confident	4 Å²	4	53 Å²	53	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.8	177.4	-70.2	153.4	0	0	0	109.4	K185 D186 T209 W210 I233 K234 D236	K185-I260 HydrophobicContact CB-CD1 3.3Å; D186-I260 HydrophobicContact CB-CD1 4.09Å; D186-I260 VanDerWaalsContact N-CD1 3.3Å; T209-I260 HydrophobicContact CG2-CG2 3.21Å; W210-I260 WeakPolarHBondContact O-CA 3.33Å; I233-I260 WeakPolarHBondContact CA-O 3.41Å; K234-I260 PolarHBondContact N-O 2.72Å; K234-I260 PolarHBondContact O-N 2.98Å; D236-I260 HydrophobicContact CB-CD1 4.49Å; D236-I260 WeakPolarHBondContact OD1-CG1 3.33Å; D236-I260 PolarHBondContact OD1-N 3.11Å
261	C	91.3	Very high	86.7	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.6	171.5	177.3	0	0	0	0	109	T209 W210 L212 V219 I233	T209-C261 CarbonylContact C-O 3.56Å; T209-C261 WeakPolarHBondContact CA-O 3.47Å; W210-C261 PolarHBondContact N-O 3.5Å; W210-C261 PolarHBondContact O-N 3.25Å; L212-C261 HydrophobicContact CD1-CB 4.18Å; L212-C261 HydrophobicContact CG-CB 4.32Å; V219-C261 HydrophobicContact CG1-CB 4.43Å; V219-C261 HydrophobicContact CG2-CB 4.12Å; I233-C261 HydrophobicContact CG1-CB 4.36Å
262	Q	93	Very high	87.2	Confident	6 Å²	6	47 Å²	47	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.5	-179.4	176	167.4	84.3	0	0	110.5	P207 T209 F231 I232 K234 Y264	P207-Q262 HydrophobicContact CB-CG 3.82Å; P207-Q262 HydrophobicContact CG-CG 4.38Å; T209-Q262 HydrophobicContact CG2-CB 4.21Å; T209-Q262 WeakPolarHBondContact OG1-CG 3.5Å; T209-Q262 PolarHBondContact OG1-NE2 3.15Å; F231-Q262 CarbonylContact C-O 3.54Å; F231-Q262 WeakPolarHBondContact CA-O 3.45Å; I232-Q262 HydrophobicContact CG2-CB 3.94Å; I232-Q262 HydrophobicContact CG2-CG 4.23Å; I232-Q262 PolarHBondContact N-O 2.86Å; I232-Q262 PolarHBondContact O-N 2.88Å; K234-Q262 VanDerWaalsContact CE-OE1 3.23Å; Q262-Y264 PolarHBondContact O-N 2.68Å
263	V	93.1	Very high	87.7	Confident	20 Å²	20	45 Å²	45	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.5	171.1	178.3	0	0	0	0	108.8	P207 K208 W210 Y222 F231	P207-V263 WeakPolarHBondContact CB-O 3.44Å; K208-V263 HydrophobicContact CB-CG2 3.86Å; K208-V263 PolarHBondContact O-N 3.47Å; W210-V263 HydrophobicContact CH2-CG2 3.73Å; W210-V263 HydrophobicContact CZ3-CG2 3.61Å; Y222-V263 HydrophobicContact CE1-CG2 4Å; F231-V263 HydrophobicContact CD1-CG2 4.46Å; F231-V263 HydrophobicContact CE1-CG2 4.22Å
264	Y	93.7	Very high	88.2	Confident	14 Å²	14	48.7 Å²	48.7	6%	0.055	25%	0.247	C	C	.	.			trans	-74.9	132.8	179.8	-177.6	-101.3	0	0	0	111.1	T230 I232 I246 Q262 S266 K275 Y307 P310	T230-Y264 HydrophobicContact CG2-CD1 4.19Å; T230-Y264 HydrophobicContact CG2-CG 4.35Å; T230-Y264 WeakPolarHBondContact O-CB 3.23Å; T230-Y264 PolarHBondContact O-N 2.81Å; I232-Y264 HydrophobicContact CB-CD2 3.98Å; I232-Y264 HydrophobicContact CD1-CD2 4.14Å; I232-Y264 HydrophobicContact CD1-CE2 4.41Å; I232-Y264 HydrophobicContact CG2-CD2 4.1Å; I246-Y264 HydrophobicContact CD1-CD2 4.19Å; I246-Y264 HydrophobicContact CD1-CE2 3.95Å; Q262-Y264 PolarHBondContact O-N 2.68Å; Y264-S266 PolarHBondContact O-N 2.93Å; Y264-K275 PolarHBondContact OH-NZ 2.99Å; Y264-Y307 WeakPolarHBondContact CE1-OH 3.24Å; Y264-Y307 WeakPolarHBondContact OH-CE2 3.12Å; Y264-Y307 PolarHBondContact OH-OH 3Å; Y264-P310 HydrophobicContact CD1-CG 3.95Å; Y264-P310 HydrophobicContact CE1-CG 3.96Å
265	I	93.1	Very high	89.1	Confident	28 Å²	28	42.6 Å²	42.6	14%	0.144	22%	0.224	C	C	.	.			trans	-73.6	92.3	173.9	-61.2	177.9	0	0	0	107.8	P207 R267 L409 N411 Y417	P207-I265 HydrophobicContact CG-CD1 4.1Å; P207-I265 HydrophobicContact CG-CG1 4.32Å; I265-R267 VanDerWaalsContact C-N 3.26Å; I265-R267 PolarHBondContact O-N 3.01Å; I265-L409 HydrophobicContact CB-CD2 4.32Å; I265-L409 HydrophobicContact CD1-CD2 4.11Å; I265-L409 HydrophobicContact CD1-CG 4.41Å; I265-N411 HydrophobicContact CG2-CB 4.25Å; I265-Y417 HydrophobicContact CD1-CD2 3.89Å; I265-Y417 HydrophobicContact CD1-CG 3.83Å
266	S	90.1	Very high	90.1	Very high	36 Å²	36	39.6 Å²	39.6	25%	0.252	21%	0.205	S	C	.	.	S	Bend	trans	-68.4	-23.4	-176.9	66.3	0	0	0	0	113.9	Y264 P268 Y307	Y264-S266 PolarHBondContact O-N 2.93Å; S266-P268 WeakPolarHBondContact O-CD 3.41Å; S266-Y307 WeakPolarHBondContact O-CE1 3.41Å; S266-Y307 PolarHBondContact O-OH 3.02Å
267	R	93.2	Very high	91.2	Very high	136 Å²	136	34.7 Å²	34.7	51%	0.513	18%	0.175	S	C	.	.	S	Bend	trans	-121.1	77.8	176.6	-67.2	-178.3	-177.4	169.2	1.2	110.7	I265 E309 N411 H412	I265-R267 VanDerWaalsContact C-N 3.26Å; I265-R267 PolarHBondContact O-N 3.01Å; R267-E309 IonicContact CZ-OE1 3.29Å; R267-E309 VanDerWaalsContact CZ-OE1 3.29Å; R267-E309 IonicContact NE-OE1 2.72Å; R267-E309 PolarHBondContact NE-OE1 3.18Å; R267-E309 IonicContact NE-OE2 3.99Å; R267-E309 IonicContact NH2-OE1 2.95Å; R267-E309 PolarHBondContact NH2-OE1 2.88Å; R267-N411 WeakPolarHBondContact O-CA 3.42Å; R267-H412 HydrophobicContact CB-CB 4.12Å; R267-H412 VanDerWaalsContact CB-ND1 3.3Å; R267-H412 WeakPolarHBondContact CB-ND1 3.19Å; R267-H412 PolarHBondContact O-N 3.12Å; R267-H412 PolarHBondContact O-ND1 3.15Å
268	P	95.1	Very high	92.2	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.039	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-65.2	170.1	167.5	33.3	-36.8	0	0	0	110.3	S266 L270 K275 Y307 L409 F410	S266-P268 WeakPolarHBondContact O-CD 3.41Å; P268-L270 HydrophobicContact CG-CD2 3.87Å; P268-K275 HydrophobicContact CB-CG 4.23Å; P268-K275 HydrophobicContact CG-CB 4.42Å; P268-K275 HydrophobicContact CG-CD 4.29Å; P268-K275 HydrophobicContact CG-CG 4.07Å; P268-Y307 VanDerWaalsContact CD-CE1 3.5Å; P268-Y307 HydrophobicContact CG-CD1 4.08Å; P268-Y307 HydrophobicContact CG-CD2 4.49Å; P268-Y307 HydrophobicContact CG-CE1 3.81Å; P268-Y307 HydrophobicContact CG-CE2 4.25Å; P268-Y307 HydrophobicContact CG-CG 4.4Å; P268-L409 HydrophobicContact CB-CD1 4Å; P268-F410 CarbonylContact C-O 3.48Å; P268-F410 VanDerWaalsContact CA-O 3.26Å; P268-F410 WeakPolarHBondContact CA-O 3.27Å
269	F	95.3	Very high	92.8	Very high	21 Å²	21	29 Å²	29	9%	0.092	14%	0.144	C	C	.	.			trans	-72.4	148.4	158.2	-165.1	-103.7	0	0	0	109	I271 F276 W353 F354 Y359 F410 L414	F269-I271 HydrophobicContact CD1-CG1 4.17Å; F269-I271 HydrophobicContact CE1-CD1 4.24Å; F269-I271 HydrophobicContact CE1-CG1 3.84Å; F269-F276 AromaticContact CD1-CE1 3.8Å; F269-F276 HydrophobicContact CD1-CE1 3.8Å; F269-F276 AromaticContact CD1-CZ 3.84Å; F269-F276 HydrophobicContact CD1-CZ 3.84Å; F269-W353 AromaticContact CE1-CH2 3.85Å; F269-W353 HydrophobicContact CE1-CH2 3.85Å; F269-W353 AromaticContact CE1-CZ3 3.67Å; F269-W353 HydrophobicContact CE1-CZ3 3.67Å; F269-W353 AromaticContact CZ-CH2 3.98Å; F269-W353 HydrophobicContact CZ-CH2 3.98Å; F269-W353 AromaticContact CZ-CZ3 3.95Å; F269-W353 HydrophobicContact CZ-CZ3 3.95Å; F269-F354 HydrophobicContact CD1-CE1 4.39Å; F269-F354 AromaticContact CE1-CE1 3.85Å; F269-F354 HydrophobicContact CE1-CE1 3.85Å; F269-F354 HydrophobicContact CZ-CE1 4.35Å; F269-Y359 AromaticContact CZ-CE2 3.91Å; F269-Y359 HydrophobicContact CZ-CE2 3.91Å; F269-Y359 AromaticContact CZ-CZ 3.83Å; F269-F410 HydrophobicContact CB-CB 3.72Å; F269-F410 PolarHBondContact N-O 3.37Å; F269-L414 HydrophobicContact CB-CD2 4.21Å; F269-L414 HydrophobicContact CD1-CD2 3.79Å; F269-L414 HydrophobicContact CD2-CD2 3.55Å; F269-L414 HydrophobicContact CD2-CG 3.83Å; F269-L414 HydrophobicContact CE1-CD2 4Å; F269-L414 HydrophobicContact CE2-CD1 4.24Å; F269-L414 HydrophobicContact CE2-CD2 3.76Å; F269-L414 HydrophobicContact CE2-CG 3.88Å; F269-L414 HydrophobicContact CG-CD2 3.57Å; F269-L414 HydrophobicContact CG-CG 4.35Å; F269-L414 HydrophobicContact CZ-CD2 3.99Å; F269-L414 HydrophobicContact CZ-CG 4.43Å
270	L	94.3	Very high	93.2	Very high	63 Å²	63	27.8 Å²	27.8	33%	0.33	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.5	-176.6	-60.9	178.5	0	0	0	109.9	P268 Y274 K275 Y307	P268-L270 HydrophobicContact CG-CD2 3.87Å; L270-Y274 WeakPolarHBondContact CA-O 3.35Å; L270-Y274 WeakPolarHBondContact CD2-O 3.36Å; L270-K275 HydrophobicContact CD2-CB 4.15Å; L270-Y307 HydrophobicContact CD1-CD1 4.11Å; L270-Y307 HydrophobicContact CD2-CD1 3.84Å; L270-Y307 HydrophobicContact CD2-CG 3.77Å
271	I	92.2	Very high	93.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.4	173.4	-71.4	173.2	0	0	0	106.7	F269 G273 Y274 F276 F302 L350 W353	F269-I271 HydrophobicContact CD1-CG1 4.17Å; F269-I271 HydrophobicContact CE1-CD1 4.24Å; F269-I271 HydrophobicContact CE1-CG1 3.84Å; I271-G273 PolarHBondContact O-N 3.15Å; I271-Y274 PolarHBondContact N-O 2.9Å; I271-Y274 VanDerWaalsContact N-O 3.16Å; I271-Y274 PolarHBondContact O-N 3.41Å; I271-F276 HydrophobicContact CB-CD1 4.24Å; I271-F276 HydrophobicContact CB-CE1 4.13Å; I271-F276 HydrophobicContact CD1-CD1 4.13Å; I271-F276 HydrophobicContact CD1-CE1 3.48Å; I271-F276 VanDerWaalsContact CD1-CE1 3.48Å; I271-F276 HydrophobicContact CD1-CE2 4.49Å; I271-F276 HydrophobicContact CD1-CZ 3.68Å; I271-F276 HydrophobicContact CG1-CD1 4.23Å; I271-F276 HydrophobicContact CG1-CE1 3.62Å; I271-F276 HydrophobicContact CG1-CZ 4.27Å; I271-F302 HydrophobicContact CB-CE1 4.02Å; I271-F302 HydrophobicContact CG2-CE1 3.94Å; I271-F302 HydrophobicContact CG2-CZ 4.42Å; I271-L350 HydrophobicContact CD1-CD1 3.27Å; I271-W353 HydrophobicContact CB-CZ2 4.42Å; I271-W353 HydrophobicContact CD1-CD2 4.03Å; I271-W353 HydrophobicContact CD1-CE3 3.73Å; I271-W353 HydrophobicContact CD1-CH2 4.28Å; I271-W353 HydrophobicContact CD1-CZ2 4.49Å; I271-W353 HydrophobicContact CD1-CZ3 3.89Å; I271-W353 HydrophobicContact CG1-CD2 4.26Å; I271-W353 HydrophobicContact CG1-CE3 4.09Å; I271-W353 HydrophobicContact CG1-CH2 3.72Å; I271-W353 HydrophobicContact CG1-CZ2 3.84Å; I271-W353 HydrophobicContact CG1-CZ3 3.84Å; I271-W353 HydrophobicContact CG2-CD2 4.42Å; I271-W353 HydrophobicContact CG2-CZ2 4.19Å
272	D	88.7	Confident	93.7	Very high	91 Å²	91	27.7 Å²	27.7	49%	0.487	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	20.7	-174.1	-40.7	-33.6	0	0	0	113.5	Y274 R345	D272-Y274 VanDerWaalsContact C-N 3.32Å; D272-Y274 HydrophobicContact CB-CD2 3.93Å; D272-Y274 HydrophobicContact CB-CE2 4.2Å; D272-Y274 VanDerWaalsContact O-CD2 3.23Å; D272-Y274 WeakPolarHBondContact O-CD2 3.46Å; D272-Y274 VanDerWaalsContact O-CE2 3.24Å; D272-Y274 WeakPolarHBondContact O-CE2 3.37Å; D272-R345 IonicContact OD2-CZ 3.33Å; D272-R345 IonicContact OD2-NH1 2.88Å; D272-R345 PolarHBondContact OD2-NH1 2.86Å; D272-R345 IonicContact OD2-NH2 2.69Å; D272-R345 PolarHBondContact OD2-NH2 3.27Å
273	G	91.2	Very high	93.8	Very high	29 Å²	29	27.4 Å²	27.4	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-10.9	-172.6	0	0	0	0	0	115.4	I271 S306 Y307	I271-G273 PolarHBondContact O-N 3.15Å; G273-S306 PolarHBondContact O-OG 2.85Å; G273-Y307 WeakPolarHBondContact O-CB 3.32Å; G273-Y307 PolarHBondContact O-N 2.86Å
274	Y	92.4	Very high	93.9	Very high	80 Å²	80	26.5 Å²	26.5	31%	0.314	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	150.1	-178.5	-57.3	-85.7	0	0	0	112.1	L270 I271 D272 T303 Y305	L270-Y274 WeakPolarHBondContact CA-O 3.35Å; L270-Y274 WeakPolarHBondContact CD2-O 3.36Å; I271-Y274 PolarHBondContact N-O 2.9Å; I271-Y274 VanDerWaalsContact N-O 3.16Å; I271-Y274 PolarHBondContact O-N 3.41Å; D272-Y274 VanDerWaalsContact C-N 3.32Å; D272-Y274 HydrophobicContact CB-CD2 3.93Å; D272-Y274 HydrophobicContact CB-CE2 4.2Å; D272-Y274 VanDerWaalsContact O-CD2 3.23Å; D272-Y274 WeakPolarHBondContact O-CD2 3.46Å; D272-Y274 VanDerWaalsContact O-CE2 3.24Å; D272-Y274 WeakPolarHBondContact O-CE2 3.37Å; Y274-T303 WeakPolarHBondContact CD1-O 3.37Å; Y274-Y305 VanDerWaalsContact CD1-C 3.48Å; Y274-Y305 WeakPolarHBondContact CD1-O 3.49Å
275	K	94.6	Very high	93.8	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.039	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138	169.4	174.4	-174.9	175.7	-175	0	108.2	Y264 P268 L270 F302 T303 Y307 H321 T323	Y264-K275 PolarHBondContact OH-NZ 2.99Å; P268-K275 HydrophobicContact CB-CG 4.23Å; P268-K275 HydrophobicContact CG-CB 4.42Å; P268-K275 HydrophobicContact CG-CD 4.29Å; P268-K275 HydrophobicContact CG-CG 4.07Å; L270-K275 HydrophobicContact CD2-CB 4.15Å; K275-F302 CarbonylContact O-C 3.46Å; K275-F302 WeakPolarHBondContact O-CA 3.43Å; K275-T303 HydrophobicContact CB-CG2 3.99Å; K275-T303 HydrophobicContact CG-CG2 4.5Å; K275-T303 PolarHBondContact N-OG1 3.16Å; K275-T303 VanDerWaalsContact N-OG1 3.15Å; K275-T303 PolarHBondContact O-N 3.09Å; K275-T303 PolarHBondContact O-OG1 2.69Å; K275-Y307 HydrophobicContact CB-CD2 3.76Å; K275-Y307 HydrophobicContact CB-CE2 4.5Å; K275-Y307 HydrophobicContact CB-CG 4.15Å; K275-Y307 HydrophobicContact CD-CD2 3.96Å; K275-Y307 HydrophobicContact CD-CE2 3.91Å; K275-Y307 HydrophobicContact CG-CD2 4.41Å; K275-H321 PolarHBondContact NZ-O 2.95Å; K275-T323 HydrophobicContact CD-CG2 4.44Å; K275-T323 HydrophobicContact CG-CG2 4.08Å
276	F	94.6	Very high	93.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	165.3	173.1	66.6	-83	0	0	0	111.7	F269 I271 L278 V300 R301 F302 L350 L409 F410	F269-F276 AromaticContact CD1-CE1 3.8Å; F269-F276 HydrophobicContact CD1-CE1 3.8Å; F269-F276 AromaticContact CD1-CZ 3.84Å; F269-F276 HydrophobicContact CD1-CZ 3.84Å; I271-F276 HydrophobicContact CB-CD1 4.24Å; I271-F276 HydrophobicContact CB-CE1 4.13Å; I271-F276 HydrophobicContact CD1-CD1 4.13Å; I271-F276 HydrophobicContact CD1-CE1 3.48Å; I271-F276 VanDerWaalsContact CD1-CE1 3.48Å; I271-F276 HydrophobicContact CD1-CE2 4.49Å; I271-F276 HydrophobicContact CD1-CZ 3.68Å; I271-F276 HydrophobicContact CG1-CD1 4.23Å; I271-F276 HydrophobicContact CG1-CE1 3.62Å; I271-F276 HydrophobicContact CG1-CZ 4.27Å; F276-L278 HydrophobicContact CD2-CD2 4.12Å; F276-L278 HydrophobicContact CE2-CD2 4.01Å; F276-V300 HydrophobicContact CB-CG1 4.04Å; F276-V300 HydrophobicContact CD2-CG1 3.64Å; F276-V300 HydrophobicContact CE2-CG1 4.45Å; F276-V300 HydrophobicContact CG-CG1 4.08Å; F276-R301 CarbonylContact C-O 3.59Å; F276-R301 WeakPolarHBondContact CA-O 3.48Å; F276-R301 WeakPolarHBondContact CB-O 3.31Å; F276-F302 HydrophobicContact CB-CD1 3.84Å; F276-F302 HydrophobicContact CB-CD2 4.38Å; F276-F302 HydrophobicContact CB-CE1 4.04Å; F276-F302 HydrophobicContact CB-CG 4.02Å; F276-F302 HydrophobicContact CB-CZ 4.38Å; F276-F302 HydrophobicContact CD1-CE1 4.33Å; F276-F302 HydrophobicContact CG-CE1 4.35Å; F276-L350 HydrophobicContact CE2-CD2 4.05Å; F276-L409 WeakPolarHBondContact O-CD1 3.48Å; F276-F410 AromaticContact CE2-CD2 3.87Å; F276-F410 HydrophobicContact CE2-CD2 3.87Å; F276-F410 HydrophobicContact CE2-CE2 4.24Å; F276-F410 AromaticContact CZ-CD2 3.92Å; F276-F410 HydrophobicContact CZ-CD2 3.92Å
277	D	95.2	Very high	93.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	169.1	163.2	75	40	0	0	0	110.7	V300 R301 T323	D277-V300 WeakPolarHBondContact O-CA 3.5Å; D277-R301 PolarHBondContact N-O 2.95Å; D277-R301 PolarHBondContact O-N 2.98Å; D277-R301 IonicContact OD1-CZ 2.96Å; D277-R301 IonicContact OD1-NE 3.34Å; D277-R301 PolarHBondContact OD1-NE 3.41Å; D277-R301 IonicContact OD1-NH2 3.33Å; D277-R301 PolarHBondContact OD1-NH2 3.21Å; D277-R301 IonicContact OD2-CZ 3.31Å; D277-R301 VanDerWaalsContact OD2-CZ 3.29Å; D277-R301 IonicContact OD2-NE 3.91Å; D277-R301 PolarHBondContact OD2-NE 2.76Å; D277-R301 IonicContact OD2-NH1 2.75Å; D277-R301 IonicContact OD2-NH2 3.51Å; D277-R301 PolarHBondContact OD2-NH2 3.29Å; D277-T323 HydrophobicContact CB-CG2 4.43Å; D277-T323 WeakPolarHBondContact OD2-CB 3.42Å; D277-T323 PolarHBondContact OD2-OG1 3.42Å
278	L	95	Very high	92.9	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.4	172.3	-51	-175.9	0	0	0	110.2	F276 I280 V300 I347 L350 I368 D407 I408 F410	F276-L278 HydrophobicContact CD2-CD2 4.12Å; F276-L278 HydrophobicContact CE2-CD2 4.01Å; L278-I280 HydrophobicContact CB-CD1 4.12Å; L278-I280 HydrophobicContact CB-CG1 4.18Å; L278-I280 HydrophobicContact CD1-CD1 4.01Å; L278-V300 HydrophobicContact CD2-CB 4.49Å; L278-V300 HydrophobicContact CD2-CG1 4.16Å; L278-V300 HydrophobicContact CD2-CG2 3.93Å; L278-I347 HydrophobicContact CB-CD1 4.5Å; L278-L350 HydrophobicContact CD2-CD2 3.41Å; L278-L350 VanDerWaalsContact CD2-CD2 3.41Å; L278-I368 HydrophobicContact CD1-CD1 4.12Å; L278-D407 WeakPolarHBondContact O-CA 3.38Å; L278-I408 HydrophobicContact CB-CB 4.45Å; L278-I408 PolarHBondContact N-O 2.89Å; L278-I408 PolarHBondContact O-N 2.94Å; L278-F410 HydrophobicContact CD1-CE2 3.69Å; L278-F410 HydrophobicContact CD1-CZ 3.83Å; L278-F410 HydrophobicContact CG-CE2 4.32Å
279	R	95.2	Very high	92.4	Very high	29 Å²	29	21.7 Å²	21.7	11%	0.109	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	104.7	156.8	171.4	59.9	56.5	58.9	0.1	108.3	Y281 L299 F406 D407	R279-Y281 HydrophobicContact CG-CE1 3.97Å; R279-Y281 HydrophobicContact CG-CE2 4.31Å; R279-L299 HydrophobicContact CB-CB 4.21Å; R279-L299 PolarHBondContact N-O 3.15Å; R279-L299 PolarHBondContact O-N 2.93Å; R279-F406 WeakPolarHBondContact CA-O 3.41Å; R279-D407 IonicContact CZ-OD1 3.47Å; R279-D407 IonicContact CZ-OD2 3.78Å; R279-D407 IonicContact NE-OD1 3.34Å; R279-D407 PolarHBondContact NE-OD1 3.16Å; R279-D407 IonicContact NE-OD2 3.2Å; R279-D407 IonicContact NH2-OD1 3.48Å; R279-D407 PolarHBondContact NH2-OD1 2.93Å; R279-D407 IonicContact NH2-OD2 2.79Å; R279-D407 PolarHBondContact NH2-OD2 3.27Å
280	I	95.8	Very high	92.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.7	173.6	-66.5	157.8	0	0	0	108.2	L278 V282 V294 I347 W365 I368 I372 F406 I408	L278-I280 HydrophobicContact CB-CD1 4.12Å; L278-I280 HydrophobicContact CB-CG1 4.18Å; L278-I280 HydrophobicContact CD1-CD1 4.01Å; I280-V282 HydrophobicContact CG2-CG2 4.19Å; I280-V294 HydrophobicContact CG2-CG1 3.8Å; I280-I347 HydrophobicContact CG1-CD1 3.63Å; I280-W365 HydrophobicContact CD1-CZ3 4.34Å; I280-I368 HydrophobicContact CD1-CD1 4.15Å; I280-I368 HydrophobicContact CD1-CG2 3.82Å; I280-I372 HydrophobicContact CG2-CD1 4.22Å; I280-F406 PolarHBondContact N-O 2.98Å; I280-F406 PolarHBondContact O-N 2.83Å; I280-I408 HydrophobicContact CD1-CD1 4.03Å
281	Y	96.3	Very high	92	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.6	177.4	-58.2	-76.8	0	0	0	110.1	R279 F295 L299 P425 I437 M441	R279-Y281 HydrophobicContact CG-CE1 3.97Å; R279-Y281 HydrophobicContact CG-CE2 4.31Å; Y281-F295 PolarHBondContact O-N 2.98Å; Y281-L299 WeakPolarHBondContact OH-CD1 3.42Å; Y281-P425 HydrophobicContact CD1-CG 4.45Å; Y281-P425 HydrophobicContact CE1-CB 4.13Å; Y281-P425 HydrophobicContact CE1-CG 4.39Å; Y281-I437 HydrophobicContact CE2-CG2 4Å; Y281-M441 VanDerWaalsContact CB-SD 3.5Å; Y281-M441 HydrophobicContact CD1-CE 4.41Å; Y281-M441 HydrophobicContact CD1-SD 3.49Å; Y281-M441 WeakPolarHBondContact CD1-SD 3.37Å; Y281-M441 HydrophobicContact CD2-SD 3.73Å; Y281-M441 HydrophobicContact CE1-SD 4.06Å; Y281-M441 HydrophobicContact CE2-SD 4.27Å; Y281-M441 HydrophobicContact CG-SD 3.28Å
282	V	96.2	Very high	92	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.2	-176.3	-175.1	0	0	0	0	108.8	I280 L292 F293 V294 I372 L404 F406	I280-V282 HydrophobicContact CG2-CG2 4.19Å; V282-L292 HydrophobicContact CG1-CD2 4.1Å; V282-F293 CarbonylContact C-O 3.56Å; V282-F293 VanDerWaalsContact CA-O 3.31Å; V282-F293 WeakPolarHBondContact CA-O 3.35Å; V282-F293 WeakPolarHBondContact CG1-O 3.49Å; V282-V294 HydrophobicContact CG2-CG2 4.29Å; V282-I372 HydrophobicContact CB-CG2 4.5Å; V282-I372 HydrophobicContact CG1-CG2 3.83Å; V282-I372 HydrophobicContact CG2-CD1 3.9Å; V282-I372 HydrophobicContact CG2-CG1 4.35Å; V282-I372 HydrophobicContact CG2-CG2 3.93Å; V282-L404 HydrophobicContact CB-CB 4.39Å; V282-L404 PolarHBondContact N-O 3.44Å; V282-L404 PolarHBondContact O-N 3.26Å; V282-F406 HydrophobicContact CB-CD2 3.85Å; V282-F406 HydrophobicContact CB-CE2 3.82Å; V282-F406 HydrophobicContact CG1-CE2 4.24Å; V282-F406 HydrophobicContact CG2-CD2 3.38Å; V282-F406 HydrophobicContact CG2-CE2 3.71Å; V282-F406 HydrophobicContact CG2-CG 4.11Å
283	L	95.2	Very high	92.3	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.4	178.3	172.2	61.8	0	0	0	109.9	T285 F293 F401 E402 I403 T445 L448 F506	L283-T285 HydrophobicContact CD1-CG2 4.46Å; L283-T285 HydrophobicContact CD2-CG2 3.99Å; L283-T285 HydrophobicContact CG-CG2 3.88Å; L283-F293 HydrophobicContact CB-CB 4.21Å; L283-F293 PolarHBondContact N-O 3.03Å; L283-F293 PolarHBondContact O-N 2.89Å; L283-F401 HydrophobicContact CD1-CB 4.37Å; L283-F401 HydrophobicContact CD1-CD2 4.32Å; L283-E402 WeakPolarHBondContact CA-O 3.36Å; L283-I403 HydrophobicContact CD1-CG1 4.31Å; L283-T445 HydrophobicContact CD1-CG2 3.69Å; L283-T445 HydrophobicContact CD2-CG2 3.9Å; L283-T445 HydrophobicContact CG-CG2 4.44Å; L283-L448 HydrophobicContact CD2-CB 4.24Å; L283-L448 HydrophobicContact CD2-CD1 3.81Å; L283-F506 HydrophobicContact CB-CD1 4.2Å; L283-F506 HydrophobicContact CB-CE1 3.56Å; L283-F506 HydrophobicContact CB-CZ 3.86Å; L283-F506 HydrophobicContact CD2-CD2 4.47Å; L283-F506 HydrophobicContact CD2-CE1 4.27Å; L283-F506 HydrophobicContact CD2-CE2 4.03Å; L283-F506 HydrophobicContact CD2-CZ 3.92Å
284	L	93.8	Very high	92.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.8	167.5	174.9	64.8	0	0	0	108.2	F176 M179 S286 L290 L292 L376 F401 E402	F176-L284 HydrophobicContact CD1-CD2 4.44Å; F176-L284 HydrophobicContact CD2-CD2 3.53Å; F176-L284 HydrophobicContact CD2-CG 4.1Å; F176-L284 HydrophobicContact CE1-CD2 4.36Å; F176-L284 HydrophobicContact CE2-CB 4.09Å; F176-L284 HydrophobicContact CE2-CD2 3.43Å; F176-L284 VanDerWaalsContact CE2-CD2 3.43Å; F176-L284 HydrophobicContact CE2-CG 3.45Å; F176-L284 VanDerWaalsContact CE2-CG 3.45Å; F176-L284 HydrophobicContact CG-CD2 4.07Å; F176-L284 HydrophobicContact CZ-CD2 3.88Å; F176-L284 HydrophobicContact CZ-CG 3.73Å; M179-L284 HydrophobicContact CE-CD2 3.39Å; L284-S286 WeakPolarHBondContact CD1-O 3.16Å; L284-L290 HydrophobicContact CD1-CD1 3.48Å; L284-L290 VanDerWaalsContact CD1-CD1 3.48Å; L284-L292 HydrophobicContact CB-CD2 4Å; L284-L292 HydrophobicContact CD1-CD2 3.78Å; L284-L292 HydrophobicContact CD1-CG 4.35Å; L284-L292 HydrophobicContact CG-CD2 4.47Å; L284-L376 HydrophobicContact CD1-CD2 4.21Å; L284-L376 HydrophobicContact CD2-CD2 4.5Å; L284-F401 CarbonylContact O-C 3.53Å; L284-F401 WeakPolarHBondContact O-CA 3.44Å; L284-E402 PolarHBondContact N-O 2.84Å; L284-E402 PolarHBondContact O-N 2.89Å
285	T	91.4	Very high	92.6	Very high	14 Å²	14	8.8 Å²	8.8	9%	0.086	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-25.7	179.7	61.2	0	0	0	0	113.1	L283 R291 F293 S398 C400	L283-T285 HydrophobicContact CD1-CG2 4.46Å; L283-T285 HydrophobicContact CD2-CG2 3.99Å; L283-T285 HydrophobicContact CG-CG2 3.88Å; T285-R291 PolarHBondContact N-O 3.06Å; T285-R291 WeakPolarHBondContact OG1-CB 3.39Å; T285-F293 HydrophobicContact CG2-CD2 3.76Å; T285-F293 HydrophobicContact CG2-CE2 3.69Å; T285-S398 WeakPolarHBondContact O-CB 3.37Å; T285-S398 PolarHBondContact O-OG 3.04Å; T285-C400 VanDerWaalsContact O-O 3.12Å
286	S	89	Confident	92.5	Very high	14 Å²	14	12.4 Å²	12.4	10%	0.098	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	146.1	-178.8	173	0	0	0	0	110.4	L284 D288 P289 L290 R291	L284-S286 WeakPolarHBondContact CD1-O 3.16Å; S286-D288 PolarHBondContact OG-N 2.94Å; S286-P289 CarbonylContact C-O 3.49Å; S286-P289 VanDerWaalsContact C-O 3.31Å; S286-P289 VanDerWaalsContact CB-O 3.27Å; S286-P289 WeakPolarHBondContact CB-O 3.44Å; S286-P289 PolarHBondContact OG-O 2.85Å; S286-L290 CarbonylContact O-C 3.59Å; S286-L290 WeakPolarHBondContact O-CA 3.37Å; S286-R291 PolarHBondContact O-N 3.02Å
287	C	86.9	Confident	92.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-1.3	174	71.8	0	0	0	0	114.1	F176 P289 Y380 I383 Y387	F176-C287 HydrophobicContact CD1-CB 4.13Å; F176-C287 HydrophobicContact CE1-CB 3.78Å; C287-P289 VanDerWaalsContact C-C 3.5Å; C287-P289 CarbonylContact C-O 3.51Å; C287-Y380 VanDerWaalsContact O-CE2 3.27Å; C287-Y380 WeakPolarHBondContact O-CE2 3.29Å; C287-Y380 PolarHBondContact O-OH 2.79Å; C287-I383 HydrophobicContact CB-CG2 4.19Å; C287-Y387 WeakPolarHBondContact SG-CB 3.31Å
288	D	83.3	Confident	92.2	Very high	49 Å²	49	12.3 Å²	12.3	26%	0.262	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-154.1	85.7	176.9	-161.3	43.7	0	0	0	110.1	S286 R384 R388	S286-D288 PolarHBondContact OG-N 2.94Å; D288-R384 HydrophobicContact CB-CG 4.44Å; D288-R384 IonicContact OD1-CZ 3.82Å; D288-R384 IonicContact OD1-NE 2.7Å; D288-R384 PolarHBondContact OD1-NE 2.9Å; D288-R384 IonicContact OD1-NH2 3.17Å; D288-R384 PolarHBondContact OD1-NH2 2.93Å; D288-R388 IonicContact OD1-CZ 2.98Å; D288-R388 IonicContact OD1-NE 3.98Å; D288-R388 IonicContact OD1-NH2 2.91Å; D288-R388 PolarHBondContact OD1-NH2 2.96Å; D288-R388 IonicContact OD2-CZ 3.54Å; D288-R388 IonicContact OD2-NE 2.71Å; D288-R388 PolarHBondContact OD2-NE 3Å; D288-R388 IonicContact OD2-NH2 3.41Å; D288-R388 PolarHBondContact OD2-NH2 2.89Å
289	P	84	Confident	92.1	Very high	41 Å²	41	12.6 Å²	12.6	27%	0.266	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	cis	-69	155	1.7	32.2	-39.2	0	0	0	112.9	S286 C287 R291 Q492	S286-P289 CarbonylContact C-O 3.49Å; S286-P289 VanDerWaalsContact C-O 3.31Å; S286-P289 VanDerWaalsContact CB-O 3.27Å; S286-P289 WeakPolarHBondContact CB-O 3.44Å; S286-P289 PolarHBondContact OG-O 2.85Å; C287-P289 VanDerWaalsContact C-C 3.5Å; C287-P289 CarbonylContact C-O 3.51Å; P289-R291 HydrophobicContact CG-CG 4.34Å; P289-R291 PolarHBondContact O-N 3.13Å; P289-Q492 HydrophobicContact CG-CG 4.13Å
290	L	89.3	Confident	92	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.031	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.6	172.3	179.1	59.5	0	0	0	110.6	L284 S286 L292 L376 L377 Y380 Y510	L284-L290 HydrophobicContact CD1-CD1 3.48Å; L284-L290 VanDerWaalsContact CD1-CD1 3.48Å; S286-L290 CarbonylContact O-C 3.59Å; S286-L290 WeakPolarHBondContact O-CA 3.37Å; L290-L292 HydrophobicContact CD1-CD1 4.44Å; L290-L292 HydrophobicContact CD1-CG 4.17Å; L290-L376 HydrophobicContact CD1-CD2 3.74Å; L290-L377 HydrophobicContact CD2-CD2 4.17Å; L290-Y380 HydrophobicContact CB-CE2 3.78Å; L290-Y380 HydrophobicContact CD1-CD2 4.3Å; L290-Y380 HydrophobicContact CD1-CE2 4.17Å; L290-Y380 HydrophobicContact CD2-CD2 4.07Å; L290-Y380 HydrophobicContact CD2-CE2 4.06Å; L290-Y380 HydrophobicContact CG-CE2 4.22Å; L290-Y510 HydrophobicContact CB-CD1 4Å; L290-Y510 HydrophobicContact CB-CE1 3.84Å; L290-Y510 HydrophobicContact CD2-CD1 3.86Å; L290-Y510 HydrophobicContact CD2-CE1 3.86Å; L290-Y510 HydrophobicContact CD2-CG 4.37Å; L290-Y510 HydrophobicContact CG-CD1 3.71Å; L290-Y510 HydrophobicContact CG-CE1 3.95Å; L290-Y510 HydrophobicContact CG-CG 4.49Å; L290-Y510 WeakPolarHBondContact O-CD1 3.32Å
291	R	91.2	Very high	91.9	Very high	9 Å²	9	12 Å²	12	3%	0.034	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	118.5	178.9	-61.6	-173.3	62.4	68.9	8.6	110.7	T285 S286 P289 F293 E496 E499 Y510	T285-R291 PolarHBondContact N-O 3.06Å; T285-R291 WeakPolarHBondContact OG1-CB 3.39Å; S286-R291 PolarHBondContact O-N 3.02Å; P289-R291 HydrophobicContact CG-CG 4.34Å; P289-R291 PolarHBondContact O-N 3.13Å; R291-F293 HydrophobicContact CB-CE2 4.46Å; R291-E496 IonicContact NH1-OE1 3.75Å; R291-E496 PolarHBondContact NH1-OE1 2.87Å; R291-E499 IonicContact CZ-OE2 3.94Å; R291-E499 IonicContact NE-OE1 2.68Å; R291-E499 IonicContact NE-OE2 3.85Å; R291-E499 PolarHBondContact NE-OE2 3.09Å; R291-E499 IonicContact NH2-OE2 2.66Å; R291-E499 PolarHBondContact NH2-OE2 3.03Å; R291-Y510 WeakPolarHBondContact CA-O 3.34Å
292	L	93.5	Very high	91.7	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.8	-172.2	-74.7	170.9	0	0	0	113.1	V282 L284 L290 L376 I509 Y510	V282-L292 HydrophobicContact CG1-CD2 4.1Å; L284-L292 HydrophobicContact CB-CD2 4Å; L284-L292 HydrophobicContact CD1-CD2 3.78Å; L284-L292 HydrophobicContact CD1-CG 4.35Å; L284-L292 HydrophobicContact CG-CD2 4.47Å; L290-L292 HydrophobicContact CD1-CD1 4.44Å; L290-L292 HydrophobicContact CD1-CG 4.17Å; L292-L376 HydrophobicContact CD1-CD2 3.68Å; L292-L376 HydrophobicContact CD2-CD2 3.67Å; L292-L376 HydrophobicContact CG-CD2 4.02Å; L292-I509 HydrophobicContact CB-CD1 4.07Å; L292-I509 HydrophobicContact CB-CG1 3.7Å; L292-I509 HydrophobicContact CD1-CD1 4.46Å; L292-I509 WeakPolarHBondContact O-CG1 3.15Å; L292-I509 PolarHBondContact O-N 3.09Å; L292-Y510 PolarHBondContact N-O 3.13Å; L292-Y510 PolarHBondContact O-N 3.3Å
293	F	94.4	Very high	91.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.7	-179	-65.3	-98.5	0	0	0	110.3	V282 L283 T285 R291 L448 E499 M503 F506 R507 L508	V282-F293 CarbonylContact C-O 3.56Å; V282-F293 VanDerWaalsContact CA-O 3.31Å; V282-F293 WeakPolarHBondContact CA-O 3.35Å; V282-F293 WeakPolarHBondContact CG1-O 3.49Å; L283-F293 HydrophobicContact CB-CB 4.21Å; L283-F293 PolarHBondContact N-O 3.03Å; L283-F293 PolarHBondContact O-N 2.89Å; T285-F293 HydrophobicContact CG2-CD2 3.76Å; T285-F293 HydrophobicContact CG2-CE2 3.69Å; R291-F293 HydrophobicContact CB-CE2 4.46Å; F293-L448 HydrophobicContact CD1-CD1 4.23Å; F293-L448 HydrophobicContact CE1-CD1 4.44Å; F293-L448 HydrophobicContact CE1-CD2 4.35Å; F293-L448 HydrophobicContact CG-CD1 4.47Å; F293-L448 HydrophobicContact CZ-CD2 4.49Å; F293-E499 HydrophobicContact CZ-CB 4.15Å; F293-E499 HydrophobicContact CZ-CG 4.38Å; F293-E499 VanDerWaalsContact CZ-OE2 3.3Å; F293-E499 WeakPolarHBondContact CZ-OE2 3.27Å; F293-M503 HydrophobicContact CD1-CE 4.3Å; F293-M503 HydrophobicContact CE1-CE 4.11Å; F293-F506 HydrophobicContact CB-CB 4.07Å; F293-F506 HydrophobicContact CB-CD1 3.77Å; F293-F506 HydrophobicContact CB-CG 4.17Å; F293-F506 HydrophobicContact CD1-CB 4.12Å; F293-R507 CarbonylContact C-O 3.59Å; F293-R507 VanDerWaalsContact CA-O 3.27Å; F293-R507 WeakPolarHBondContact CA-O 3.48Å; F293-L508 HydrophobicContact CD1-CB 4.29Å; F293-L508 HydrophobicContact CD1-CD1 4.19Å; F293-L508 HydrophobicContact CD2-CD1 4.25Å; F293-L508 HydrophobicContact CE1-CB 4.1Å; F293-L508 HydrophobicContact CE1-CD1 3.72Å; F293-L508 HydrophobicContact CE2-CD1 3.76Å; F293-L508 HydrophobicContact CG-CD1 4.43Å; F293-L508 HydrophobicContact CZ-CD1 3.48Å; F293-L508 VanDerWaalsContact CZ-CD1 3.48Å
294	V	95.5	Very high	91.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.3	172.2	174.3	0	0	0	0	108.6	I280 V282 W365 I372 F506 R507 I509	I280-V294 HydrophobicContact CG2-CG1 3.8Å; V282-V294 HydrophobicContact CG2-CG2 4.29Å; V294-W365 HydrophobicContact CG1-CZ3 3.93Å; V294-I372 HydrophobicContact CG2-CD1 3.92Å; V294-F506 CarbonylContact O-C 3.59Å; V294-F506 WeakPolarHBondContact O-CA 3.28Å; V294-R507 HydrophobicContact CB-CG 4.23Å; V294-R507 PolarHBondContact N-O 2.9Å; V294-R507 PolarHBondContact O-N 3.48Å; V294-I509 HydrophobicContact CB-CG2 4.1Å; V294-I509 HydrophobicContact CG2-CB 4.37Å; V294-I509 HydrophobicContact CG2-CD1 3.48Å; V294-I509 VanDerWaalsContact CG2-CD1 3.48Å; V294-I509 HydrophobicContact CG2-CG1 3.88Å; V294-I509 HydrophobicContact CG2-CG2 3.64Å
295	F	95	Very high	91	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.9	172.9	-158.8	-115.4	0	0	0	109.4	L64 Y281 D297 I437 A440 M441 N505 F506	L64-F295 HydrophobicContact CD1-CE1 3.91Å; L64-F295 HydrophobicContact CD1-CZ 3.86Å; Y281-F295 PolarHBondContact O-N 2.98Å; F295-D297 HydrophobicContact CD1-CB 4.34Å; F295-D297 WeakPolarHBondContact CD1-O 3.43Å; F295-D297 HydrophobicContact CE1-CB 4.29Å; F295-D297 PolarHBondContact O-N 2.88Å; F295-I437 HydrophobicContact CE1-CG2 4.24Å; F295-A440 HydrophobicContact CZ-CB 4.11Å; F295-M441 HydrophobicContact CD1-CB 4.2Å; F295-M441 HydrophobicContact CD2-CB 3.99Å; F295-M441 HydrophobicContact CD2-CG 4.11Å; F295-M441 HydrophobicContact CE1-CB 3.92Å; F295-M441 HydrophobicContact CE2-CB 3.67Å; F295-M441 HydrophobicContact CE2-CG 4.27Å; F295-M441 HydrophobicContact CG-CB 4.26Å; F295-M441 HydrophobicContact CG-CG 4.27Å; F295-M441 HydrophobicContact CZ-CB 3.65Å; F295-N505 HydrophobicContact CD2-CB 4.14Å; F295-N505 HydrophobicContact CE2-CB 3.51Å; F295-N505 HydrophobicContact CZ-CB 3.76Å; F295-F506 HydrophobicContact CB-CD1 4.13Å; F295-F506 HydrophobicContact CB-CE1 3.89Å; F295-F506 HydrophobicContact CD2-CD1 4.04Å; F295-F506 HydrophobicContact CD2-CD2 4.04Å; F295-F506 AromaticContact CD2-CE1 3.85Å; F295-F506 HydrophobicContact CD2-CE1 3.85Å; F295-F506 AromaticContact CD2-CE2 3.85Å; F295-F506 HydrophobicContact CD2-CE2 3.85Å; F295-F506 HydrophobicContact CD2-CG 4.13Å; F295-F506 AromaticContact CD2-CZ 3.75Å; F295-F506 HydrophobicContact CD2-CZ 3.75Å; F295-F506 HydrophobicContact CE2-CD2 4.48Å; F295-F506 HydrophobicContact CE2-CE2 4.26Å; F295-F506 HydrophobicContact CE2-CZ 4.5Å; F295-F506 HydrophobicContact CG-CE1 4.35Å
296	K	91.3	Very high	90.9	Very high	85 Å²	85	20.5 Å²	20.5	37%	0.37	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	-26.5	-177.6	-83.1	-175	171.6	-169.7	0	112.9	D59 N505	D59-K296 IonicContact OD1-NZ 3.71Å; D59-K296 PolarHBondContact OD1-NZ 3.1Å; D59-K296 IonicContact OD2-NZ 3.9Å; K296-N505 VanDerWaalsContact CB-O 3.3Å; K296-N505 WeakPolarHBondContact CB-O 3.26Å; K296-N505 WeakPolarHBondContact CG-O 3.48Å; K296-N505 PolarHBondContact N-O 3.17Å
297	D	91.1	Very high	91.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-179.9	176.9	-151.3	-11.7	0	0	0	112.5	L64 F295 I347 T348	L64-D297 HydrophobicContact CD1-CB 4.41Å; F295-D297 HydrophobicContact CD1-CB 4.34Å; F295-D297 WeakPolarHBondContact CD1-O 3.43Å; F295-D297 HydrophobicContact CE1-CB 4.29Å; F295-D297 PolarHBondContact O-N 2.88Å; D297-I347 WeakPolarHBondContact OD1-CA 3.19Å; D297-I347 WeakPolarHBondContact OD1-CB 3.37Å; D297-I347 PolarHBondContact OD1-N 3.37Å; D297-T348 HydrophobicContact CB-CG2 4.02Å; D297-T348 VanDerWaalsContact CG-CG2 3.48Å; D297-T348 PolarHBondContact OD1-N 3.2Å; D297-T348 WeakPolarHBondContact OD2-CG2 3.49Å; D297-T348 PolarHBondContact OD2-OG1 3.42Å
298	G	92.7	Very high	91.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-162.8	178.1	0	0	0	0	0	111.4	I347 I437	G298-I347 PolarHBondContact O-N 2.94Å; G298-I437 WeakPolarHBondContact O-CD1 3.17Å
299	L	93	Very high	91.6	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.052	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.2	-177.1	-57.3	172	0	0	0	111.2	R279 Y281 K344 L433 D434 I437	R279-L299 HydrophobicContact CB-CB 4.21Å; R279-L299 PolarHBondContact N-O 3.15Å; R279-L299 PolarHBondContact O-N 2.93Å; Y281-L299 WeakPolarHBondContact OH-CD1 3.42Å; L299-K344 HydrophobicContact CD2-CD 4.38Å; L299-K344 HydrophobicContact CD2-CG 4.47Å; L299-L433 HydrophobicContact CD2-CD2 3.85Å; L299-D434 VanDerWaalsContact CD1-OD1 3.28Å; L299-D434 WeakPolarHBondContact CD1-OD1 3.31Å; L299-I437 HydrophobicContact CD2-CD1 3.75Å
300	V	94	Very high	91.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.9	170.4	-170.3	0	0	0	0	107.9	F276 D277 L278 F302 K344 R345 R346 I347 L350	F276-V300 HydrophobicContact CB-CG1 4.04Å; F276-V300 HydrophobicContact CD2-CG1 3.64Å; F276-V300 HydrophobicContact CE2-CG1 4.45Å; F276-V300 HydrophobicContact CG-CG1 4.08Å; D277-V300 WeakPolarHBondContact O-CA 3.5Å; L278-V300 HydrophobicContact CD2-CB 4.49Å; L278-V300 HydrophobicContact CD2-CG1 4.16Å; L278-V300 HydrophobicContact CD2-CG2 3.93Å; V300-F302 HydrophobicContact CB-CE2 3.95Å; V300-F302 HydrophobicContact CG1-CD2 4.07Å; V300-F302 HydrophobicContact CG1-CE2 3.38Å; V300-F302 HydrophobicContact CG1-CZ 3.79Å; V300-K344 WeakPolarHBondContact O-CA 3.48Å; V300-R345 HydrophobicContact CB-CB 4.48Å; V300-R345 PolarHBondContact N-O 2.66Å; V300-R345 PolarHBondContact O-N 3.37Å; V300-R346 WeakPolarHBondContact CG2-O 3.33Å; V300-I347 HydrophobicContact CG2-CB 4.48Å; V300-I347 HydrophobicContact CG2-CG1 3.77Å; V300-L350 HydrophobicContact CG1-CD2 4.32Å; V300-L350 HydrophobicContact CG2-CB 3.95Å; V300-L350 HydrophobicContact CG2-CD2 3.84Å
301	R	92.4	Very high	91.7	Very high	17 Å²	17	28 Å²	28	6%	0.064	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.5	-179.3	-64.2	172.9	-71.8	-168.7	-17.9	110.4	F276 D277 T323 N324 D407	F276-R301 CarbonylContact C-O 3.59Å; F276-R301 WeakPolarHBondContact CA-O 3.48Å; F276-R301 WeakPolarHBondContact CB-O 3.31Å; D277-R301 PolarHBondContact N-O 2.95Å; D277-R301 PolarHBondContact O-N 2.98Å; D277-R301 IonicContact OD1-CZ 2.96Å; D277-R301 IonicContact OD1-NE 3.34Å; D277-R301 PolarHBondContact OD1-NE 3.41Å; D277-R301 IonicContact OD1-NH2 3.33Å; D277-R301 PolarHBondContact OD1-NH2 3.21Å; D277-R301 IonicContact OD2-CZ 3.31Å; D277-R301 VanDerWaalsContact OD2-CZ 3.29Å; D277-R301 IonicContact OD2-NE 3.91Å; D277-R301 PolarHBondContact OD2-NE 2.76Å; D277-R301 IonicContact OD2-NH1 2.75Å; D277-R301 IonicContact OD2-NH2 3.51Å; D277-R301 PolarHBondContact OD2-NH2 3.29Å; R301-T323 VanDerWaalsContact CB-O 3.26Å; R301-T323 WeakPolarHBondContact CB-O 3.36Å; R301-N324 PolarHBondContact NH1-OD1 2.92Å; R301-N324 VanDerWaalsContact NH1-OD1 3.12Å; R301-D407 IonicContact CZ-OD2 2.95Å; R301-D407 VanDerWaalsContact CZ-OD2 3.31Å; R301-D407 IonicContact NH1-OD2 2.87Å; R301-D407 PolarHBondContact NH1-OD2 2.9Å; R301-D407 IonicContact NH2-OD1 3.47Å; R301-D407 IonicContact NH2-OD2 3.2Å; R301-D407 PolarHBondContact NH2-OD2 2.93Å
302	F	92.7	Very high	91.2	Very high	8 Å²	8	35 Å²	35	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	161.6	179.9	-66.8	-104.4	0	0	0	112.2	I271 K275 F276 V300 T343 R345	I271-F302 HydrophobicContact CB-CE1 4.02Å; I271-F302 HydrophobicContact CG2-CE1 3.94Å; I271-F302 HydrophobicContact CG2-CZ 4.42Å; K275-F302 CarbonylContact O-C 3.46Å; K275-F302 WeakPolarHBondContact O-CA 3.43Å; F276-F302 HydrophobicContact CB-CD1 3.84Å; F276-F302 HydrophobicContact CB-CD2 4.38Å; F276-F302 HydrophobicContact CB-CE1 4.04Å; F276-F302 HydrophobicContact CB-CG 4.02Å; F276-F302 HydrophobicContact CB-CZ 4.38Å; F276-F302 HydrophobicContact CD1-CE1 4.33Å; F276-F302 HydrophobicContact CG-CE1 4.35Å; V300-F302 HydrophobicContact CB-CE2 3.95Å; V300-F302 HydrophobicContact CG1-CD2 4.07Å; V300-F302 HydrophobicContact CG1-CE2 3.38Å; V300-F302 HydrophobicContact CG1-CZ 3.79Å; F302-T343 HydrophobicContact CB-CG2 4.12Å; F302-T343 PolarHBondContact N-O 3.07Å; F302-T343 WeakPolarHBondContact O-CG2 3.3Å; F302-R345 HydrophobicContact CD2-CG 4.29Å; F302-R345 HydrophobicContact CE2-CB 4.05Å; F302-R345 HydrophobicContact CE2-CG 3.63Å; F302-R345 HydrophobicContact CZ-CG 4.34Å
303	T	91.9	Very high	90.8	Very high	3 Å²	3	46 Å²	46	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	151.1	162	54.8	0	0	0	0	110.7	Y274 K275 Y305 Y319 T323	Y274-T303 WeakPolarHBondContact CD1-O 3.37Å; K275-T303 HydrophobicContact CB-CG2 3.99Å; K275-T303 HydrophobicContact CG-CG2 4.5Å; K275-T303 PolarHBondContact N-OG1 3.16Å; K275-T303 VanDerWaalsContact N-OG1 3.15Å; K275-T303 PolarHBondContact O-N 3.09Å; K275-T303 PolarHBondContact O-OG1 2.69Å; T303-Y305 PolarHBondContact OG1-O 3.11Å; T303-Y319 VanDerWaalsContact CB-O 3.24Å; T303-Y319 WeakPolarHBondContact CB-O 3.24Å; T303-Y319 WeakPolarHBondContact CG2-O 3.17Å; T303-T323 HydrophobicContact CG2-CG2 3.89Å
304	T	88.4	Confident	90.5	Very high	12 Å²	12	46.7 Å²	46.7	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-11.3	174.8	58.5	0	0	0	0	114.4	Q328 S331 G333 Y334 T343	T304-Q328 PolarHBondContact OG1-OE1 2.89Å; T304-Q328 VanDerWaalsContact OG1-OE1 3.09Å; T304-S331 WeakPolarHBondContact CB-OG 3.36Å; T304-S331 VanDerWaalsContact CG2-OG 3.25Å; T304-S331 WeakPolarHBondContact CG2-OG 3.42Å; T304-S331 WeakPolarHBondContact OG1-CB 3.22Å; T304-S331 PolarHBondContact OG1-OG 3.34Å; T304-G333 WeakPolarHBondContact CG2-O 3.41Å; T304-Y334 HydrophobicContact CG2-CD2 4.21Å; T304-T343 HydrophobicContact CG2-CG2 3.7Å
305	Y	89.1	Confident	90	Very high	111 Å²	111	47.4 Å²	47.4	44%	0.435	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.4	168.4	-63.9	-42.8	0	0	0	111.1	Y274 T303 Y319	Y274-Y305 VanDerWaalsContact CD1-C 3.48Å; Y274-Y305 WeakPolarHBondContact CD1-O 3.49Å; T303-Y305 PolarHBondContact OG1-O 3.11Å; Y305-Y319 HydrophobicContact CE2-CD2 4.23Å; Y305-Y319 HydrophobicContact CE2-CG 4.43Å
306	S	90.7	Very high	89.5	Confident	63 Å²	63	55 Å²	55	44%	0.441	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	143.4	177.6	-175.9	0	0	0	0	110.8	G273	G273-S306 PolarHBondContact O-OG 2.85Å
307	Y	92.7	Very high	89.2	Confident	22 Å²	22	52.9 Å²	52.9	9%	0.086	25%	0.247	C	C	.	.			trans	-86.8	123.6	-163.3	-177.3	-94.3	0	0	0	113.5	Y264 S266 P268 L270 G273 K275 M320 H321	Y264-Y307 WeakPolarHBondContact CE1-OH 3.24Å; Y264-Y307 WeakPolarHBondContact OH-CE2 3.12Å; Y264-Y307 PolarHBondContact OH-OH 3Å; S266-Y307 WeakPolarHBondContact O-CE1 3.41Å; S266-Y307 PolarHBondContact O-OH 3.02Å; P268-Y307 VanDerWaalsContact CD-CE1 3.5Å; P268-Y307 HydrophobicContact CG-CD1 4.08Å; P268-Y307 HydrophobicContact CG-CD2 4.49Å; P268-Y307 HydrophobicContact CG-CE1 3.81Å; P268-Y307 HydrophobicContact CG-CE2 4.25Å; P268-Y307 HydrophobicContact CG-CG 4.4Å; L270-Y307 HydrophobicContact CD1-CD1 4.11Å; L270-Y307 HydrophobicContact CD2-CD1 3.84Å; L270-Y307 HydrophobicContact CD2-CG 3.77Å; G273-Y307 WeakPolarHBondContact O-CB 3.32Å; G273-Y307 PolarHBondContact O-N 2.86Å; K275-Y307 HydrophobicContact CB-CD2 3.76Å; K275-Y307 HydrophobicContact CB-CE2 4.5Å; K275-Y307 HydrophobicContact CB-CG 4.15Å; K275-Y307 HydrophobicContact CD-CD2 3.96Å; K275-Y307 HydrophobicContact CD-CE2 3.91Å; K275-Y307 HydrophobicContact CG-CD2 4.41Å; Y307-M320 HydrophobicContact CD2-CG 4.4Å; Y307-H321 AromaticContact CE2-ND1 3.76Å
308	I	92	Very high	88.9	Confident	95 Å²	95	56.5 Å²	56.5	49%	0.487	27%	0.265	S	S	.	.			trans	-115.3	139.8	174.5	-54.6	178.2	0	0	0	109.3	N314 M320	I308-N314 PolarHBondContact O-ND2 3.42Å; I308-N314 VanDerWaalsContact O-ND2 3.17Å; I308-M320 HydrophobicContact CB-CE 4.25Å; I308-M320 HydrophobicContact CB-SD 3.76Å; I308-M320 HydrophobicContact CD1-CE 4.04Å; I308-M320 HydrophobicContact CG1-CE 4.09Å; I308-M320 HydrophobicContact CG1-SD 4.19Å; I308-M320 PolarHBondContact N-SD 3.39Å
309	E	89.4	Confident	88.5	Confident	86 Å²	86	60.1 Å²	60.1	40%	0.402	28%	0.279	S	S	.	.			trans	-55.8	140.3	176.5	-77.7	-152.4	-140.3	0	0	111.7	R267 N311 N314	R267-E309 IonicContact CZ-OE1 3.29Å; R267-E309 VanDerWaalsContact CZ-OE1 3.29Å; R267-E309 IonicContact NE-OE1 2.72Å; R267-E309 PolarHBondContact NE-OE1 3.18Å; R267-E309 IonicContact NE-OE2 3.99Å; R267-E309 IonicContact NH2-OE1 2.95Å; R267-E309 PolarHBondContact NH2-OE1 2.88Å; E309-N311 PolarHBondContact O-N 2.82Å; E309-N311 PolarHBondContact O-ND2 3.18Å; E309-N314 PolarHBondContact O-ND2 2.91Å; E309-N314 VanDerWaalsContact O-ND2 3.16Å
310	P	87.7	Confident	88.2	Confident	6 Å²	6	60.4 Å²	60.4	4%	0.039	28%	0.28	C	S	.	.			trans	-65.9	121.9	-172.1	24.9	-35.2	0	0	0	112.5	T230 K248 Y264 N314 V315	T230-P310 HydrophobicContact CG2-CB 3.91Å; T230-P310 HydrophobicContact CG2-CG 3.95Å; K248-P310 PolarHBondContact NZ-O 3.4Å; Y264-P310 HydrophobicContact CD1-CG 3.95Å; Y264-P310 HydrophobicContact CE1-CG 3.96Å; P310-N314 WeakPolarHBondContact CA-OD1 3.28Å; P310-V315 HydrophobicContact CB-CG2 3.84Å
311	N	86	Confident	88	Confident	58 Å²	58	60.4 Å²	60.4	31%	0.31	28%	0.28	S	S	.	.			trans	-132.6	173.6	179	67.4	70.7	0	0	0	109.8	E309 R313 N314 V315	E309-N311 PolarHBondContact O-N 2.82Å; E309-N311 PolarHBondContact O-ND2 3.18Å; N311-R313 PolarHBondContact O-N 2.94Å; N311-R313 WeakPolarHBondContact OD1-CA 3.39Å; N311-R313 WeakPolarHBondContact OD1-CB 3.38Å; N311-R313 PolarHBondContact OD1-N 2.87Å; N311-N314 PolarHBondContact N-OD1 2.84Å; N311-N314 VanDerWaalsContact ND2-CG 3.31Å; N311-N314 PolarHBondContact ND2-ND2 3.44Å; N311-N314 PolarHBondContact ND2-OD1 2.85Å; N311-N314 VanDerWaalsContact ND2-OD1 3.09Å; N311-N314 PolarHBondContact O-N 3.38Å; N311-N314 PolarHBondContact O-OD1 3.3Å; N311-N314 VanDerWaalsContact O-OD1 3.12Å; N311-N314 PolarHBondContact OD1-N 2.85Å; N311-N314 PolarHBondContact OD1-OD1 3.39Å; N311-V315 WeakPolarHBondContact O-CB 3.48Å; N311-V315 WeakPolarHBondContact O-CG2 3.41Å; N311-V315 PolarHBondContact O-N 2.83Å; N311-V315 VanDerWaalsContact O-N 3.16Å
312	Q	81.5	Confident	87.8	Confident	157 Å²	157	60.2 Å²	60.2	73%	0.734	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.3	-173.7	-71.9	170	-23.5	0	0	114.7
313	R	85.4	Confident	87.6	Confident	231 Å²	231	60.3 Å²	60.3	87%	0.872	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-43.2	178.8	-54.8	179.2	-178.4	174.2	-0.8	112.4	N311	N311-R313 PolarHBondContact O-N 2.94Å; N311-R313 WeakPolarHBondContact OD1-CA 3.39Å; N311-R313 WeakPolarHBondContact OD1-CB 3.38Å; N311-R313 PolarHBondContact OD1-N 2.87Å
314	N	88.6	Confident	87.3	Confident	15 Å²	15	61.4 Å²	61.4	8%	0.08	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.2	-177.2	70.7	-15.3	0	0	0	115	I308 E309 P310 N311 H316 D317 M320	I308-N314 PolarHBondContact O-ND2 3.42Å; I308-N314 VanDerWaalsContact O-ND2 3.17Å; E309-N314 PolarHBondContact O-ND2 2.91Å; E309-N314 VanDerWaalsContact O-ND2 3.16Å; P310-N314 WeakPolarHBondContact CA-OD1 3.28Å; N311-N314 PolarHBondContact N-OD1 2.84Å; N311-N314 VanDerWaalsContact ND2-CG 3.31Å; N311-N314 PolarHBondContact ND2-ND2 3.44Å; N311-N314 PolarHBondContact ND2-OD1 2.85Å; N311-N314 VanDerWaalsContact ND2-OD1 3.09Å; N311-N314 PolarHBondContact O-N 3.38Å; N311-N314 PolarHBondContact O-OD1 3.3Å; N311-N314 VanDerWaalsContact O-OD1 3.12Å; N311-N314 PolarHBondContact OD1-N 2.85Å; N311-N314 PolarHBondContact OD1-OD1 3.39Å; N314-H316 PolarHBondContact O-N 3.48Å; N314-D317 WeakPolarHBondContact O-CB 3.42Å; N314-D317 PolarHBondContact O-N 3.47Å; N314-M320 HydrophobicContact CB-CE 4.35Å; N314-M320 HydrophobicContact CB-SD 4.08Å; N314-M320 PolarHBondContact ND2-SD 2.88Å
315	V	84.2	Confident	87	Confident	15 Å²	15	63.2 Å²	63.2	9%	0.091	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.5	179.5	150.2	0	0	0	0	114.1	I246 K248 P310 N311	I246-V315 HydrophobicContact CB-CG1 4.12Å; I246-V315 HydrophobicContact CG2-CB 4.47Å; I246-V315 HydrophobicContact CG2-CG1 4Å; I246-V315 HydrophobicContact CG2-CG2 3.97Å; I246-V315 WeakPolarHBondContact O-CG1 3.44Å; K248-V315 HydrophobicContact CD-CG2 4.34Å; K248-V315 HydrophobicContact CG-CG2 4.25Å; P310-V315 HydrophobicContact CB-CG2 3.84Å; N311-V315 WeakPolarHBondContact O-CB 3.48Å; N311-V315 WeakPolarHBondContact O-CG2 3.41Å; N311-V315 PolarHBondContact O-N 2.83Å; N311-V315 VanDerWaalsContact O-N 3.16Å
316	H	83.8	Confident	86.4	Confident	158 Å²	158	59.4 Å²	59.4	73%	0.731	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.4	174.3	-60	-68.6	0	0	0	114.3	N314 M318	N314-H316 PolarHBondContact O-N 3.48Å; H316-M318 PolarHBondContact O-N 3.2Å; H316-M318 VanDerWaalsContact O-N 3.14Å
317	D	85.8	Confident	85.9	Confident	42 Å²	42	57.4 Å²	57.4	23%	0.225	27%	0.269	C	S	.	.			trans	-78.1	98.1	178.8	-175.1	-11.1	0	0	0	110.9	N314 Y319 M320 H321	N314-D317 WeakPolarHBondContact O-CB 3.42Å; N314-D317 PolarHBondContact O-N 3.47Å; D317-Y319 VanDerWaalsContact C-N 3.29Å; D317-Y319 PolarHBondContact O-N 3.43Å; D317-Y319 WeakPolarHBondContact OD1-CA 3.3Å; D317-Y319 WeakPolarHBondContact OD1-CB 3.39Å; D317-Y319 PolarHBondContact OD1-N 3.41Å; D317-M320 HydrophobicContact CB-CB 4.1Å; D317-M320 VanDerWaalsContact CG-CB 3.49Å; D317-M320 PolarHBondContact OD1-N 2.96Å; D317-M320 VanDerWaalsContact OD2-CB 3.3Å; D317-M320 WeakPolarHBondContact OD2-CB 3.22Å; D317-H321 WeakPolarHBondContact O-CB 3.49Å; D317-H321 PolarHBondContact O-N 3.07Å
318	M	84	Confident	85.6	Confident	78 Å²	78	56.4 Å²	56.4	38%	0.384	27%	0.266	S	S	.	.	H	α-helix	trans	-68.9	-26.5	176.8	-63.1	-178.9	74.7	0	0	112.6	H316 L322 V327	H316-M318 PolarHBondContact O-N 3.2Å; H316-M318 VanDerWaalsContact O-N 3.14Å; M318-L322 HydrophobicContact CB-CD1 4.18Å; M318-L322 HydrophobicContact CE-CD1 3.55Å; M318-L322 HydrophobicContact CG-CD1 4.31Å; M318-L322 VanDerWaalsContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CB 3.32Å; M318-L322 PolarHBondContact O-N 2.97Å; M318-V327 HydrophobicContact CB-CG1 4.42Å
319	Y	84.7	Confident	85.1	Confident	75 Å²	75	55.9 Å²	55.9	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-78	-32.1	-179.4	-62.2	-65.6	0	0	0	112.2	T303 Y305 D317 V327 Q328	T303-Y319 VanDerWaalsContact CB-O 3.24Å; T303-Y319 WeakPolarHBondContact CB-O 3.24Å; T303-Y319 WeakPolarHBondContact CG2-O 3.17Å; Y305-Y319 HydrophobicContact CE2-CD2 4.23Å; Y305-Y319 HydrophobicContact CE2-CG 4.43Å; D317-Y319 VanDerWaalsContact C-N 3.29Å; D317-Y319 PolarHBondContact O-N 3.43Å; D317-Y319 WeakPolarHBondContact OD1-CA 3.3Å; D317-Y319 WeakPolarHBondContact OD1-CB 3.39Å; D317-Y319 PolarHBondContact OD1-N 3.41Å; Y319-V327 HydrophobicContact CD1-CG1 4Å; Y319-V327 HydrophobicContact CE1-CG1 3.9Å; Y319-Q328 PolarHBondContact O-NE2 3.36Å
320	M	87.7	Confident	84.7	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-75.8	-26.5	170.7	-174.7	-171.8	-63.5	0	0	113.1	Y307 I308 N314 D317	Y307-M320 HydrophobicContact CD2-CG 4.4Å; I308-M320 HydrophobicContact CB-CE 4.25Å; I308-M320 HydrophobicContact CB-SD 3.76Å; I308-M320 HydrophobicContact CD1-CE 4.04Å; I308-M320 HydrophobicContact CG1-CE 4.09Å; I308-M320 HydrophobicContact CG1-SD 4.19Å; I308-M320 PolarHBondContact N-SD 3.39Å; N314-M320 HydrophobicContact CB-CE 4.35Å; N314-M320 HydrophobicContact CB-SD 4.08Å; N314-M320 PolarHBondContact ND2-SD 2.88Å; D317-M320 HydrophobicContact CB-CB 4.1Å; D317-M320 VanDerWaalsContact CG-CB 3.49Å; D317-M320 PolarHBondContact OD1-N 2.96Å; D317-M320 VanDerWaalsContact OD2-CB 3.3Å; D317-M320 WeakPolarHBondContact OD2-CB 3.22Å
321	H	89.2	Confident	84.5	Confident	1 Å²	1	58 Å²	58	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-110.6	-21.8	-169.3	-69.2	-13.8	0	0	0	115.8	I246 K275 Y307 D317	I246-H321 HydrophobicContact CD1-CB 3.6Å; K275-H321 PolarHBondContact NZ-O 2.95Å; Y307-H321 AromaticContact CE2-ND1 3.76Å; D317-H321 WeakPolarHBondContact O-CB 3.49Å; D317-H321 PolarHBondContact O-N 3.07Å
322	L	89	Confident	84.1	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.068	30%	0.3	C	S	.	.			trans	-117.1	108.7	-177	-54.1	-178.6	0	0	0	112.5	I232 I244 M318 N324 Q328	I232-L322 HydrophobicContact CD1-CD2 3.99Å; I244-L322 HydrophobicContact CB-CD1 4.25Å; I244-L322 HydrophobicContact CG2-CD1 4.24Å; I244-L322 HydrophobicContact CG2-CD2 3.89Å; M318-L322 HydrophobicContact CB-CD1 4.18Å; M318-L322 HydrophobicContact CE-CD1 3.55Å; M318-L322 HydrophobicContact CG-CD1 4.31Å; M318-L322 VanDerWaalsContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CB 3.32Å; M318-L322 PolarHBondContact O-N 2.97Å; L322-N324 PolarHBondContact O-N 3.4Å; L322-Q328 PolarHBondContact O-NE2 3.02Å
323	T	87.5	Confident	83.9	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.055	28%	0.284	C	S	.	.			trans	-69.8	4.8	178.5	41.1	0	0	0	0	115.1	K275 D277 R301 T303 Y325	K275-T323 HydrophobicContact CD-CG2 4.44Å; K275-T323 HydrophobicContact CG-CG2 4.08Å; D277-T323 HydrophobicContact CB-CG2 4.43Å; D277-T323 WeakPolarHBondContact OD2-CB 3.42Å; D277-T323 PolarHBondContact OD2-OG1 3.42Å; R301-T323 VanDerWaalsContact CB-O 3.26Å; R301-T323 WeakPolarHBondContact CB-O 3.36Å; T303-T323 HydrophobicContact CG2-CG2 3.89Å; T323-Y325 PolarHBondContact O-N 3.34Å
324	N	85.3	Confident	83.7	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.144	25%	0.248	C	C	.	.			trans	-72.1	120.2	-175.3	-91.4	-41.2	0	0	0	112.2	R301 L322 A326 V327 Q328	R301-N324 PolarHBondContact NH1-OD1 2.92Å; R301-N324 VanDerWaalsContact NH1-OD1 3.12Å; L322-N324 PolarHBondContact O-N 3.4Å; N324-A326 PolarHBondContact O-N 2.97Å; N324-A326 VanDerWaalsContact O-N 3.07Å; N324-V327 HydrophobicContact CB-CG2 4.3Å; N324-V327 WeakPolarHBondContact O-CA 3.47Å; N324-V327 WeakPolarHBondContact O-CB 3.46Å; N324-V327 PolarHBondContact O-N 3.48Å; N324-Q328 PolarHBondContact O-N 3.44Å
325	Y	81.5	Confident	83.3	Confident	50 Å²	50	53 Å²	53	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-48.4	-37.9	175.9	170.8	-111.9	0	0	0	113.6	T323 V327 Q328 K329 Y334 D430	T323-Y325 PolarHBondContact O-N 3.34Å; Y325-V327 PolarHBondContact O-N 3.01Å; Y325-Q328 PolarHBondContact O-N 3.41Å; Y325-K329 HydrophobicContact CD2-CB 4.15Å; Y325-K329 HydrophobicContact CE1-CD 4.25Å; Y325-K329 HydrophobicContact CE2-CB 3.81Å; Y325-K329 VanDerWaalsContact O-CB 3.26Å; Y325-K329 WeakPolarHBondContact O-CB 3.24Å; Y325-K329 VanDerWaalsContact O-CG 3.3Å; Y325-K329 WeakPolarHBondContact O-CG 3.09Å; Y325-K329 PolarHBondContact O-N 3.25Å; Y325-Y334 HydrophobicContact CD2-CE2 4.02Å; Y325-Y334 AromaticContact CD2-CZ 3.77Å; Y325-Y334 WeakPolarHBondContact CD2-OH 3.23Å; Y325-Y334 HydrophobicContact CE2-CE1 4.25Å; Y325-Y334 HydrophobicContact CE2-CE2 4.38Å; Y325-Y334 AromaticContact CE2-CZ 3.79Å; Y325-Y334 WeakPolarHBondContact CE2-OH 3.46Å; Y325-D430 WeakPolarHBondContact CE1-OD2 3.47Å; Y325-D430 PolarHBondContact OH-OD2 3.27Å
326	A	78.4	Confident	82.9	Confident	30 Å²	30	59.9 Å²	59.9	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-20.6	177.9	0	0	0	0	0	114.5	Q240 N324 H330	Q240-A326 HydrophobicContact CB-CB 3.7Å; Q240-A326 HydrophobicContact CG-CB 3.97Å; N324-A326 PolarHBondContact O-N 2.97Å; N324-A326 VanDerWaalsContact O-N 3.07Å; A326-H330 PolarHBondContact O-CE1 2.89Å; A326-H330 PolarHBondContact O-ND1 3.31Å; A326-H330 VanDerWaalsContact O-ND1 3.13Å
327	V	80.3	Confident	82.1	Confident	21 Å²	21	57.8 Å²	57.8	13%	0.127	28%	0.284	C	S	.	.	H	α-helix	trans	-87.8	-58.3	167.8	180	0	0	0	0	108.6	M318 Y319 N324 Y325 K329 H330	M318-V327 HydrophobicContact CB-CG1 4.42Å; Y319-V327 HydrophobicContact CD1-CG1 4Å; Y319-V327 HydrophobicContact CE1-CG1 3.9Å; N324-V327 HydrophobicContact CB-CG2 4.3Å; N324-V327 WeakPolarHBondContact O-CA 3.47Å; N324-V327 WeakPolarHBondContact O-CB 3.46Å; N324-V327 PolarHBondContact O-N 3.48Å; Y325-V327 PolarHBondContact O-N 3.01Å; V327-K329 VanDerWaalsContact C-N 3.29Å; V327-K329 PolarHBondContact O-N 3.23Å; V327-H330 PolarHBondContact O-N 3.32Å; V327-H330 PolarHBondContact O-ND1 3.08Å
328	Q	85	Confident	81.4	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-31.8	-170.9	-64.6	-66.8	-13.2	0	0	114.1	T304 Y319 L322 N324 Y325 H330 S331 Y334	T304-Q328 PolarHBondContact OG1-OE1 2.89Å; T304-Q328 VanDerWaalsContact OG1-OE1 3.09Å; Y319-Q328 PolarHBondContact O-NE2 3.36Å; L322-Q328 PolarHBondContact O-NE2 3.02Å; N324-Q328 PolarHBondContact O-N 3.44Å; Y325-Q328 PolarHBondContact O-N 3.41Å; Q328-H330 PolarHBondContact O-N 3.11Å; Q328-S331 PolarHBondContact O-N 3.02Å; Q328-S331 PolarHBondContact O-OG 3.15Å; Q328-Y334 VanDerWaalsContact C-CD2 3.5Å; Q328-Y334 HydrophobicContact CB-CD2 3.87Å; Q328-Y334 HydrophobicContact CB-CE2 4.04Å; Q328-Y334 VanDerWaalsContact O-CD2 3.27Å; Q328-Y334 WeakPolarHBondContact O-CD2 3.48Å
329	K	82.4	Confident	80.5	Confident	85 Å²	85	59.4 Å²	59.4	37%	0.37	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.6	179.7	74.4	173.8	-166.9	162.6	0	115.4	Y325 V327	Y325-K329 HydrophobicContact CD2-CB 4.15Å; Y325-K329 HydrophobicContact CE1-CD 4.25Å; Y325-K329 HydrophobicContact CE2-CB 3.81Å; Y325-K329 VanDerWaalsContact O-CB 3.26Å; Y325-K329 WeakPolarHBondContact O-CB 3.24Å; Y325-K329 VanDerWaalsContact O-CG 3.3Å; Y325-K329 WeakPolarHBondContact O-CG 3.09Å; Y325-K329 PolarHBondContact O-N 3.25Å; V327-K329 VanDerWaalsContact C-N 3.29Å; V327-K329 PolarHBondContact O-N 3.23Å
330	H	81.3	Confident	79.6	Confident	124 Å²	124	62.2 Å²	62.2	57%	0.574	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-4.3	178.6	-50.9	108.4	0	0	0	113.4	A326 V327 Q328	A326-H330 PolarHBondContact O-CE1 2.89Å; A326-H330 PolarHBondContact O-ND1 3.31Å; A326-H330 VanDerWaalsContact O-ND1 3.13Å; V327-H330 PolarHBondContact O-N 3.32Å; V327-H330 PolarHBondContact O-ND1 3.08Å; Q328-H330 PolarHBondContact O-N 3.11Å
331	S	81.9	Confident	78.8	Confident	12 Å²	12	63 Å²	63	8%	0.084	32%	0.319	C	S	.	.	S	Bend	trans	-84.5	146.3	171.3	54.3	0	0	0	0	111	T304 Q328 G333 Y334	T304-S331 WeakPolarHBondContact CB-OG 3.36Å; T304-S331 VanDerWaalsContact CG2-OG 3.25Å; T304-S331 WeakPolarHBondContact CG2-OG 3.42Å; T304-S331 WeakPolarHBondContact OG1-CB 3.22Å; T304-S331 PolarHBondContact OG1-OG 3.34Å; Q328-S331 PolarHBondContact O-N 3.02Å; Q328-S331 PolarHBondContact O-OG 3.15Å; S331-G333 PolarHBondContact O-N 3.07Å; S331-Y334 WeakPolarHBondContact O-CB 3.17Å; S331-Y334 PolarHBondContact O-N 3.43Å
332	E	78.7	Confident	78.4	Confident	200 Å²	200	63 Å²	63	94%	0.935	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.8	-176.6	-62	174.3	164.9	0	0	112.2	Y334	E332-Y334 PolarHBondContact O-N 3.41Å
333	G	77.9	Confident	78.2	Confident	38 Å²	38	62.9 Å²	62.9	39%	0.392	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	13.3	174.5	0	0	0	0	0	115.5	T304 S331 I335	T304-G333 WeakPolarHBondContact CG2-O 3.41Å; S331-G333 PolarHBondContact O-N 3.07Å; G333-I335 PolarHBondContact O-N 3.12Å
334	Y	80.7	Confident	78.3	Confident	31 Å²	31	63.4 Å²	63.4	12%	0.122	32%	0.321	C	S	.	.			trans	-79.5	99.3	-179.7	-169	-83.8	0	0	0	111.9	T304 Y325 Q328 S331 E332 R336 T343 K344	T304-Y334 HydrophobicContact CG2-CD2 4.21Å; Y325-Y334 HydrophobicContact CD2-CE2 4.02Å; Y325-Y334 AromaticContact CD2-CZ 3.77Å; Y325-Y334 WeakPolarHBondContact CD2-OH 3.23Å; Y325-Y334 HydrophobicContact CE2-CE1 4.25Å; Y325-Y334 HydrophobicContact CE2-CE2 4.38Å; Y325-Y334 AromaticContact CE2-CZ 3.79Å; Y325-Y334 WeakPolarHBondContact CE2-OH 3.46Å; Q328-Y334 VanDerWaalsContact C-CD2 3.5Å; Q328-Y334 HydrophobicContact CB-CD2 3.87Å; Q328-Y334 HydrophobicContact CB-CE2 4.04Å; Q328-Y334 VanDerWaalsContact O-CD2 3.27Å; Q328-Y334 WeakPolarHBondContact O-CD2 3.48Å; S331-Y334 WeakPolarHBondContact O-CB 3.17Å; S331-Y334 PolarHBondContact O-N 3.43Å; E332-Y334 PolarHBondContact O-N 3.41Å; Y334-R336 HydrophobicContact CD1-CG 3.82Å; Y334-R336 HydrophobicContact CE1-CG 3.84Å; Y334-R336 PolarHBondContact O-N 3.29Å; Y334-T343 HydrophobicContact CD2-CG2 3.7Å; Y334-T343 HydrophobicContact CE2-CG2 3.61Å; Y334-K344 WeakPolarHBondContact OH-CE 3.45Å
335	I	80.9	Confident	78.5	Confident	87 Å²	87	63.2 Å²	63.2	45%	0.446	32%	0.318	S	S	.	.			trans	-79.5	117	178.7	-56.6	176.3	0	0	0	109.5	G333 N338 T343	G333-I335 PolarHBondContact O-N 3.12Å; I335-N338 HydrophobicContact CG2-CB 4.03Å; I335-T343 PolarHBondContact N-OG1 3.5Å; I335-T343 PolarHBondContact O-N 3.46Å; I335-T343 VanDerWaalsContact O-N 3.13Å
336	R	75.7	Confident	79	Confident	160 Å²	160	62 Å²	62	60%	0.604	31%	0.313	S	S	*	.			trans	-89.4	152.3	173.5	-60	-174.6	-177	-153.2	2.5	111.1	Y334 N338	Y334-R336 HydrophobicContact CD1-CG 3.82Å; Y334-R336 HydrophobicContact CE1-CG 3.84Å; Y334-R336 PolarHBondContact O-N 3.29Å; R336-N338 PolarHBondContact O-N 2.9Å
337	D	66.2	Low	79.7	Confident	113 Å²	113	60.6 Å²	60.6	60%	0.604	30%	0.302	S	S	*	.	S	Bend	trans	54.6	16	159.3	-52.6	-47	0	0	0	118.3	S431	D337-S431 WeakPolarHBondContact OD1-CB 3.19Å
338	N	70.7	Confident	80.1	Confident	78 Å²	78	60.2 Å²	60.2	42%	0.417	30%	0.299	S	S	.	.			trans	-97.9	118.3	164.4	-179.9	-26.8	0	0	0	109	I335 R336 E340 G341 G342	I335-N338 HydrophobicContact CG2-CB 4.03Å; R336-N338 PolarHBondContact O-N 2.9Å; N338-E340 PolarHBondContact O-N 2.85Å; N338-E340 PolarHBondContact OD1-N 2.91Å; N338-E340 VanDerWaalsContact OD1-N 3.09Å; N338-G341 PolarHBondContact OD1-N 3.07Å; N338-G342 WeakPolarHBondContact O-CA 3.41Å; N338-G342 PolarHBondContact O-N 3.45Å
339	E	64.9	Low	80.3	Confident	76 Å²	76	60.8 Å²	60.8	36%	0.355	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-31.1	-174.2	-60.8	-142.2	124.1	0	0	114.4	R346	E339-R346 IonicContact OE1-CZ 2.68Å; E339-R346 IonicContact OE1-NE 3.42Å; E339-R346 PolarHBondContact OE1-NE 2.9Å; E339-R346 IonicContact OE1-NH2 3.43Å; E339-R346 PolarHBondContact OE1-NH2 3.46Å; E339-R346 IonicContact OE2-NE 3.08Å
340	E	67.5	Low	80.7	Confident	135 Å²	135	57.1 Å²	57.1	63%	0.631	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-37.8	-171.8	-59.7	-166.6	148.4	0	0	112.3	N338 R345 R352	N338-E340 PolarHBondContact O-N 2.85Å; N338-E340 PolarHBondContact OD1-N 2.91Å; N338-E340 VanDerWaalsContact OD1-N 3.09Å; E340-R345 VanDerWaalsContact O-CD 3.28Å; E340-R345 WeakPolarHBondContact O-CD 3.12Å; E340-R345 PolarHBondContact O-NE 2.77Å; E340-R345 PolarHBondContact O-NH1 3.34Å; E340-R352 IonicContact OE1-NH1 2.66Å
341	G	71	Confident	81.2	Confident	31 Å²	31	52 Å²	52	32%	0.32	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-14.2	179.2	0	0	0	0	0	115.3	N338 R345	N338-G341 PolarHBondContact OD1-N 3.07Å; G341-R345 PolarHBondContact O-NH2 3.21Å
342	G	78.9	Confident	81.7	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.01	28%	0.278	C	S	.	.	S	Bend	trans	-64.7	160.6	-170.5	0	0	0	0	0	115.2	N338 K344 R345	N338-G342 WeakPolarHBondContact O-CA 3.41Å; N338-G342 PolarHBondContact O-N 3.45Å; G342-K344 PolarHBondContact O-N 3.08Å; G342-R345 VanDerWaalsContact O-CG 3.27Å; G342-R345 WeakPolarHBondContact O-CG 3.04Å; G342-R345 PolarHBondContact O-NE 3.15Å
343	T	85.8	Confident	82.3	Confident	11 Å²	11	49.4 Å²	49.4	7%	0.067	24%	0.244	C	C	.	.	S	Bend	trans	-72.5	-8.7	177.2	-44	0	0	0	0	112.5	F302 T304 Y334 I335	F302-T343 HydrophobicContact CB-CG2 4.12Å; F302-T343 PolarHBondContact N-O 3.07Å; F302-T343 WeakPolarHBondContact O-CG2 3.3Å; T304-T343 HydrophobicContact CG2-CG2 3.7Å; Y334-T343 HydrophobicContact CD2-CG2 3.7Å; Y334-T343 HydrophobicContact CE2-CG2 3.61Å; I335-T343 PolarHBondContact N-OG1 3.5Å; I335-T343 PolarHBondContact O-N 3.46Å; I335-T343 VanDerWaalsContact O-N 3.13Å
344	K	88.6	Confident	83	Confident	21 Å²	21	47.7 Å²	47.7	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.6	172.9	-174.5	-165.1	-61.5	167.7	0	108.4	L299 V300 Y334 G342 L433 D434	L299-K344 HydrophobicContact CD2-CD 4.38Å; L299-K344 HydrophobicContact CD2-CG 4.47Å; V300-K344 WeakPolarHBondContact O-CA 3.48Å; Y334-K344 WeakPolarHBondContact OH-CE 3.45Å; G342-K344 PolarHBondContact O-N 3.08Å; K344-L433 HydrophobicContact CB-CD2 4.49Å; K344-L433 HydrophobicContact CD-CD2 3.82Å; K344-L433 HydrophobicContact CG-CD2 3.75Å; K344-D434 IonicContact NZ-OD2 2.7Å; K344-D434 PolarHBondContact NZ-OD2 3.15Å
345	R	90.6	Very high	83.6	Confident	23 Å²	23	53.5 Å²	53.5	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	164.6	-177.8	-50.1	-177.4	-162.5	170.7	5.2	110.4	D272 V300 F302 E340 G341 G342	D272-R345 IonicContact OD2-CZ 3.33Å; D272-R345 IonicContact OD2-NH1 2.88Å; D272-R345 PolarHBondContact OD2-NH1 2.86Å; D272-R345 IonicContact OD2-NH2 2.69Å; D272-R345 PolarHBondContact OD2-NH2 3.27Å; V300-R345 HydrophobicContact CB-CB 4.48Å; V300-R345 PolarHBondContact N-O 2.66Å; V300-R345 PolarHBondContact O-N 3.37Å; F302-R345 HydrophobicContact CD2-CG 4.29Å; F302-R345 HydrophobicContact CE2-CB 4.05Å; F302-R345 HydrophobicContact CE2-CG 3.63Å; F302-R345 HydrophobicContact CZ-CG 4.34Å; E340-R345 VanDerWaalsContact O-CD 3.28Å; E340-R345 WeakPolarHBondContact O-CD 3.12Å; E340-R345 PolarHBondContact O-NE 2.77Å; E340-R345 PolarHBondContact O-NH1 3.34Å; G341-R345 PolarHBondContact O-NH2 3.21Å; G342-R345 VanDerWaalsContact O-CG 3.27Å; G342-R345 WeakPolarHBondContact O-CG 3.04Å; G342-R345 PolarHBondContact O-NE 3.15Å
346	R	91.3	Very high	84.1	Confident	23 Å²	23	55.2 Å²	55.2	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	155.2	172.9	-48.2	-170	-172	-126.2	-1.2	110.7	V300 E339 T348 T349 L350 L433 E436 I437	V300-R346 WeakPolarHBondContact CG2-O 3.33Å; E339-R346 IonicContact OE1-CZ 2.68Å; E339-R346 IonicContact OE1-NE 3.42Å; E339-R346 PolarHBondContact OE1-NE 2.9Å; E339-R346 IonicContact OE1-NH2 3.43Å; E339-R346 PolarHBondContact OE1-NH2 3.46Å; E339-R346 IonicContact OE2-NE 3.08Å; R346-T348 VanDerWaalsContact C-N 3.26Å; R346-T348 WeakPolarHBondContact CB-OG1 3.17Å; R346-T348 WeakPolarHBondContact CD-OG1 3.18Å; R346-T349 PolarHBondContact O-N 3.03Å; R346-L350 PolarHBondContact O-N 3.3Å; R346-L433 HydrophobicContact CG-CD1 3.51Å; R346-L433 HydrophobicContact CG-CG 4.29Å; R346-E436 IonicContact CZ-OE2 3.93Å; R346-E436 IonicContact NH1-OE2 3.9Å; R346-E436 PolarHBondContact NH1-OE2 3.21Å; R346-E436 IonicContact NH2-OE1 2.71Å; R346-E436 IonicContact NH2-OE2 3.14Å; R346-E436 PolarHBondContact NH2-OE2 3.31Å; R346-I437 HydrophobicContact CB-CD1 4.46Å; R346-I437 HydrophobicContact CG-CD1 4.16Å
347	I	92.6	Very high	84.9	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-69.4	-30.9	167	-66.5	179.9	0	0	0	109.9	L278 I280 D297 G298 V300 T349 L350 N351 W365	L278-I347 HydrophobicContact CB-CD1 4.5Å; I280-I347 HydrophobicContact CG1-CD1 3.63Å; D297-I347 WeakPolarHBondContact OD1-CA 3.19Å; D297-I347 WeakPolarHBondContact OD1-CB 3.37Å; D297-I347 PolarHBondContact OD1-N 3.37Å; G298-I347 PolarHBondContact O-N 2.94Å; V300-I347 HydrophobicContact CG2-CB 4.48Å; V300-I347 HydrophobicContact CG2-CG1 3.77Å; I347-T349 VanDerWaalsContact C-N 3.28Å; I347-T349 PolarHBondContact O-N 2.78Å; I347-L350 CarbonylContact O-C 2.81Å; I347-L350 PolarHBondContact O-N 3.4Å; I347-L350 VanDerWaalsContact O-N 3.1Å; I347-N351 VanDerWaalsContact O-CG 3.31Å; I347-N351 PolarHBondContact O-N 3.33Å; I347-W365 HydrophobicContact CG2-CH2 4.03Å; I347-W365 HydrophobicContact CG2-CZ2 3.53Å
348	T	89.3	Confident	86.1	Confident	12 Å²	12	49.6 Å²	49.6	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-32.5	169.9	48.4	0	0	0	0	113.5	N62 D297 R346 R352	N62-T348 HydrophobicContact CB-CG2 4.16Å; D297-T348 HydrophobicContact CB-CG2 4.02Å; D297-T348 VanDerWaalsContact CG-CG2 3.48Å; D297-T348 PolarHBondContact OD1-N 3.2Å; D297-T348 WeakPolarHBondContact OD2-CG2 3.49Å; D297-T348 PolarHBondContact OD2-OG1 3.42Å; R346-T348 VanDerWaalsContact C-N 3.26Å; R346-T348 WeakPolarHBondContact CB-OG1 3.17Å; R346-T348 WeakPolarHBondContact CD-OG1 3.18Å; T348-R352 PolarHBondContact O-N 3.17Å; T348-R352 PolarHBondContact O-NE 3.43Å
349	T	89.6	Confident	87.1	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.08	26%	0.257	C	S	.	.	H	α-helix	trans	-70.4	-40.6	170.6	-47.4	0	0	0	0	111.7	R346 I347 R352 W353	R346-T349 PolarHBondContact O-N 3.03Å; I347-T349 VanDerWaalsContact C-N 3.28Å; I347-T349 PolarHBondContact O-N 2.78Å; T349-R352 WeakPolarHBondContact O-CB 3.42Å; T349-R352 PolarHBondContact O-N 3.19Å; T349-R352 PolarHBondContact OG1-NH2 2.91Å; T349-W353 PolarHBondContact O-N 3.25Å
350	L	91.5	Very high	88.5	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-36.9	177.2	175.3	63.2	0	0	0	112.8	I271 F276 L278 V300 R346 I347 R352 W353 F354	I271-L350 HydrophobicContact CD1-CD1 3.27Å; F276-L350 HydrophobicContact CE2-CD2 4.05Å; L278-L350 HydrophobicContact CD2-CD2 3.41Å; L278-L350 VanDerWaalsContact CD2-CD2 3.41Å; V300-L350 HydrophobicContact CG1-CD2 4.32Å; V300-L350 HydrophobicContact CG2-CB 3.95Å; V300-L350 HydrophobicContact CG2-CD2 3.84Å; R346-L350 PolarHBondContact O-N 3.3Å; I347-L350 CarbonylContact O-C 2.81Å; I347-L350 PolarHBondContact O-N 3.4Å; I347-L350 VanDerWaalsContact O-N 3.1Å; L350-R352 VanDerWaalsContact C-N 3.3Å; L350-R352 PolarHBondContact O-N 3.33Å; L350-W353 HydrophobicContact CD1-CE3 4.41Å; L350-W353 PolarHBondContact O-N 3.01Å; L350-F354 HydrophobicContact CD1-CD2 4Å; L350-F354 HydrophobicContact CD1-CE1 4.32Å; L350-F354 HydrophobicContact CD1-CE2 3.67Å; L350-F354 HydrophobicContact CD1-CG 4.47Å; L350-F354 HydrophobicContact CD1-CZ 3.84Å; L350-F354 HydrophobicContact CD2-CE2 3.81Å; L350-F354 HydrophobicContact CD2-CZ 4.33Å; L350-F354 HydrophobicContact CG-CD2 3.81Å; L350-F354 HydrophobicContact CG-CE2 3.51Å; L350-F354 HydrophobicContact CG-CZ 4.17Å; L350-F354 WeakPolarHBondContact O-CD2 3.31Å; L350-F354 PolarHBondContact O-N 3.37Å
351	N	92	Very high	89.7	Confident	15 Å²	15	46 Å²	46	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-38.4	174.3	-72.3	-17.2	0	0	0	111.5	I347 K355 V361 W365	I347-N351 VanDerWaalsContact O-CG 3.31Å; I347-N351 PolarHBondContact O-N 3.33Å; N351-K355 PolarHBondContact O-N 3.09Å; N351-K355 VanDerWaalsContact O-N 3.11Å; N351-V361 HydrophobicContact CB-CG1 4.24Å; N351-V361 WeakPolarHBondContact O-CG2 2.79Å; N351-W365 PolarHBondContact ND2-NE1 3.4Å; N351-W365 PolarHBondContact OD1-NE1 2.82Å; N351-W365 VanDerWaalsContact OD1-NE1 3.08Å
352	R	90.9	Very high	90.7	Very high	101 Å²	101	52.3 Å²	52.3	38%	0.381	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-57.9	170.2	-74.8	179.6	-82.7	148.5	-12.3	110.4	E340 T348 T349 L350 F354 K355 D356	E340-R352 IonicContact OE1-NH1 2.66Å; T348-R352 PolarHBondContact O-N 3.17Å; T348-R352 PolarHBondContact O-NE 3.43Å; T349-R352 WeakPolarHBondContact O-CB 3.42Å; T349-R352 PolarHBondContact O-N 3.19Å; T349-R352 PolarHBondContact OG1-NH2 2.91Å; L350-R352 VanDerWaalsContact C-N 3.3Å; L350-R352 PolarHBondContact O-N 3.33Å; R352-F354 PolarHBondContact O-N 2.75Å; R352-F354 VanDerWaalsContact O-N 3.09Å; R352-K355 WeakPolarHBondContact O-CA 3.33Å; R352-K355 WeakPolarHBondContact O-CB 3.44Å; R352-K355 PolarHBondContact O-N 2.93Å; R352-D356 PolarHBondContact O-N 2.88Å
353	W	92	Very high	91.3	Very high	57 Å²	57	58 Å²	58	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-50.7	-40.9	178.1	-173.9	97	0	0	0	113.2	F269 I271 T349 L350 N357 Y359	F269-W353 AromaticContact CE1-CH2 3.85Å; F269-W353 HydrophobicContact CE1-CH2 3.85Å; F269-W353 AromaticContact CE1-CZ3 3.67Å; F269-W353 HydrophobicContact CE1-CZ3 3.67Å; F269-W353 AromaticContact CZ-CH2 3.98Å; F269-W353 HydrophobicContact CZ-CH2 3.98Å; F269-W353 AromaticContact CZ-CZ3 3.95Å; F269-W353 HydrophobicContact CZ-CZ3 3.95Å; I271-W353 HydrophobicContact CB-CZ2 4.42Å; I271-W353 HydrophobicContact CD1-CD2 4.03Å; I271-W353 HydrophobicContact CD1-CE3 3.73Å; I271-W353 HydrophobicContact CD1-CH2 4.28Å; I271-W353 HydrophobicContact CD1-CZ2 4.49Å; I271-W353 HydrophobicContact CD1-CZ3 3.89Å; I271-W353 HydrophobicContact CG1-CD2 4.26Å; I271-W353 HydrophobicContact CG1-CE3 4.09Å; I271-W353 HydrophobicContact CG1-CH2 3.72Å; I271-W353 HydrophobicContact CG1-CZ2 3.84Å; I271-W353 HydrophobicContact CG1-CZ3 3.84Å; I271-W353 HydrophobicContact CG2-CD2 4.42Å; I271-W353 HydrophobicContact CG2-CZ2 4.19Å; T349-W353 PolarHBondContact O-N 3.25Å; L350-W353 HydrophobicContact CD1-CE3 4.41Å; L350-W353 PolarHBondContact O-N 3.01Å; W353-N357 VanDerWaalsContact CE2-ND2 3.33Å; W353-N357 HydrophobicContact CH2-CB 4.35Å; W353-N357 HydrophobicContact CZ3-CB 4.31Å; W353-N357 WeakPolarHBondContact O-CB 3.41Å; W353-N357 PolarHBondContact O-N 3.21Å; W353-N357 PolarHBondContact O-ND2 2.73Å; W353-Y359 HydrophobicContact CH2-CE2 4.22Å; W353-Y359 HydrophobicContact CZ3-CD2 4.23Å; W353-Y359 AromaticContact CZ3-CE2 3.93Å; W353-Y359 HydrophobicContact CZ3-CE2 3.93Å
354	F	92.7	Very high	91.7	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-46.5	174.7	-79.7	-44.1	0	0	0	112.9	F269 L350 R352 D356 N357 G358 Y359 V361 I364 F410 L414	F269-F354 HydrophobicContact CD1-CE1 4.39Å; F269-F354 AromaticContact CE1-CE1 3.85Å; F269-F354 HydrophobicContact CE1-CE1 3.85Å; F269-F354 HydrophobicContact CZ-CE1 4.35Å; L350-F354 HydrophobicContact CD1-CD2 4Å; L350-F354 HydrophobicContact CD1-CE1 4.32Å; L350-F354 HydrophobicContact CD1-CE2 3.67Å; L350-F354 HydrophobicContact CD1-CG 4.47Å; L350-F354 HydrophobicContact CD1-CZ 3.84Å; L350-F354 HydrophobicContact CD2-CE2 3.81Å; L350-F354 HydrophobicContact CD2-CZ 4.33Å; L350-F354 HydrophobicContact CG-CD2 3.81Å; L350-F354 HydrophobicContact CG-CE2 3.51Å; L350-F354 HydrophobicContact CG-CZ 4.17Å; L350-F354 WeakPolarHBondContact O-CD2 3.31Å; L350-F354 PolarHBondContact O-N 3.37Å; R352-F354 PolarHBondContact O-N 2.75Å; R352-F354 VanDerWaalsContact O-N 3.09Å; F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.04Å; F354-N357 CarbonylContact O-C 3.58Å; F354-N357 PolarHBondContact O-N 3.35Å; F354-G358 PolarHBondContact O-N 2.99Å; F354-Y359 AromaticContact CD1-CD2 3.79Å; F354-Y359 HydrophobicContact CD1-CD2 3.79Å; F354-Y359 HydrophobicContact CD1-CG 4.19Å; F354-Y359 WeakPolarHBondContact O-CB 3.42Å; F354-Y359 PolarHBondContact O-N 2.85Å; F354-V361 HydrophobicContact CB-CG2 3.78Å; F354-I364 HydrophobicContact CD1-CD1 4.18Å; F354-I364 HydrophobicContact CD2-CD1 4.09Å; F354-I364 HydrophobicContact CE1-CD1 4.35Å; F354-I364 HydrophobicContact CE2-CD1 4.23Å; F354-I364 HydrophobicContact CE2-CG2 4.38Å; F354-I364 HydrophobicContact CG-CD1 4.07Å; F354-I364 HydrophobicContact CZ-CD1 4.37Å; F354-F410 HydrophobicContact CE2-CE2 4.05Å; F354-F410 HydrophobicContact CE2-CZ 4.44Å; F354-F410 HydrophobicContact CZ-CD2 4.31Å; F354-F410 AromaticContact CZ-CE2 3.77Å; F354-F410 HydrophobicContact CZ-CE2 3.77Å; F354-F410 HydrophobicContact CZ-CZ 4.39Å; F354-L414 HydrophobicContact CE1-CD1 4.46Å; F354-L414 HydrophobicContact CE1-CD2 3.67Å; F354-L414 HydrophobicContact CZ-CD2 3.89Å
355	K	92.4	Very high	92	Very high	154 Å²	154	58.3 Å²	58.3	67%	0.67	29%	0.286	S	S	*	.	H	α-helix	trans	-58.7	-45.4	175.5	-174.5	-174.5	179	-174.4	0	111	N351 R352 N357 G358 V361	N351-K355 PolarHBondContact O-N 3.09Å; N351-K355 VanDerWaalsContact O-N 3.11Å; R352-K355 WeakPolarHBondContact O-CA 3.33Å; R352-K355 WeakPolarHBondContact O-CB 3.44Å; R352-K355 PolarHBondContact O-N 2.93Å; K355-N357 VanDerWaalsContact C-N 3.31Å; K355-N357 PolarHBondContact O-N 2.71Å; K355-G358 PolarHBondContact O-N 3.08Å; K355-V361 HydrophobicContact CB-CG2 4.29Å
356	D	92.6	Very high	92.1	Very high	122 Å²	122	63.2 Å²	63.2	65%	0.652	31%	0.31	S	S	*	.	H	α-helix	trans	-69.3	-29.3	-176.5	-52.7	-30.5	0	0	0	112.2	R352 F354 G358	R352-D356 PolarHBondContact O-N 2.88Å; F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.04Å; D356-G358 VanDerWaalsContact C-N 3.32Å
357	N	91.8	Very high	92.2	Very high	86 Å²	86	65.2 Å²	65.2	46%	0.46	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	10.7	172.4	-74.6	-99.6	0	0	0	113.5	W353 F354 K355 Y359	W353-N357 VanDerWaalsContact CE2-ND2 3.33Å; W353-N357 HydrophobicContact CH2-CB 4.35Å; W353-N357 HydrophobicContact CZ3-CB 4.31Å; W353-N357 WeakPolarHBondContact O-CB 3.41Å; W353-N357 PolarHBondContact O-N 3.21Å; W353-N357 PolarHBondContact O-ND2 2.73Å; F354-N357 CarbonylContact O-C 3.58Å; F354-N357 PolarHBondContact O-N 3.35Å; K355-N357 VanDerWaalsContact C-N 3.31Å; K355-N357 PolarHBondContact O-N 2.71Å; N357-Y359 HydrophobicContact CB-CD2 3.75Å; N357-Y359 HydrophobicContact CB-CE2 3.73Å
358	G	91.7	Very high	92.3	Very high	69 Å²	69	65.2 Å²	65.2	71%	0.711	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	20.8	174.3	0	0	0	0	0	115.6	F354 K355 D356	F354-G358 PolarHBondContact O-N 2.99Å; K355-G358 PolarHBondContact O-N 3.08Å; D356-G358 VanDerWaalsContact C-N 3.32Å
359	Y	92.3	Very high	92.6	Very high	89 Å²	89	65.7 Å²	65.7	35%	0.349	32%	0.324	S	S	.	.			trans	-89.9	141.8	175.9	-63.9	-72	0	0	0	112.3	F269 W353 F354 N357 V361 L414	F269-Y359 AromaticContact CZ-CE2 3.91Å; F269-Y359 HydrophobicContact CZ-CE2 3.91Å; F269-Y359 AromaticContact CZ-CZ 3.83Å; W353-Y359 HydrophobicContact CH2-CE2 4.22Å; W353-Y359 HydrophobicContact CZ3-CD2 4.23Å; W353-Y359 AromaticContact CZ3-CE2 3.93Å; W353-Y359 HydrophobicContact CZ3-CE2 3.93Å; F354-Y359 AromaticContact CD1-CD2 3.79Å; F354-Y359 HydrophobicContact CD1-CD2 3.79Å; F354-Y359 HydrophobicContact CD1-CG 4.19Å; F354-Y359 WeakPolarHBondContact O-CB 3.42Å; F354-Y359 PolarHBondContact O-N 2.85Å; N357-Y359 HydrophobicContact CB-CD2 3.75Å; N357-Y359 HydrophobicContact CB-CE2 3.73Å; Y359-V361 PolarHBondContact O-N 3.24Å; Y359-L414 HydrophobicContact CD1-CD1 3.36Å; Y359-L414 HydrophobicContact CE1-CD1 3.56Å; Y359-L414 HydrophobicContact CG-CD1 3.92Å
360	D	92.7	Very high	92.8	Very high	93 Å²	93	66 Å²	66	50%	0.497	33%	0.325	S	S	.	.			trans	-73.5	96	175.2	-178.9	-1.7	0	0	0	111.5	K362 K363 I364	D360-K362 VanDerWaalsContact C-N 3.28Å; D360-K362 PolarHBondContact O-N 3.44Å; D360-K362 WeakPolarHBondContact OD1-CB 3.29Å; D360-K362 PolarHBondContact OD1-N 2.75Å; D360-K363 HydrophobicContact CB-CB 4.13Å; D360-K363 PolarHBondContact OD1-N 3.05Å; D360-K363 VanDerWaalsContact OD2-CB 3.23Å; D360-K363 WeakPolarHBondContact OD2-CB 3.3Å; D360-I364 VanDerWaalsContact O-CG1 3.3Å; D360-I364 WeakPolarHBondContact O-CG1 3.37Å; D360-I364 PolarHBondContact O-N 3.14Å; D360-I364 VanDerWaalsContact O-N 3.15Å
361	V	92.5	Very high	92.9	Very high	33 Å²	33	65.6 Å²	65.6	20%	0.2	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-33.9	177.6	179	0	0	0	0	112.3	N351 F354 K355 Y359 I364 W365	N351-V361 HydrophobicContact CB-CG1 4.24Å; N351-V361 WeakPolarHBondContact O-CG2 2.79Å; F354-V361 HydrophobicContact CB-CG2 3.78Å; K355-V361 HydrophobicContact CB-CG2 4.29Å; Y359-V361 PolarHBondContact O-N 3.24Å; V361-I364 PolarHBondContact O-N 2.93Å; V361-W365 VanDerWaalsContact O-CD1 3.26Å; V361-W365 PolarHBondContact O-N 3.4Å; V361-W365 VanDerWaalsContact O-N 3.17Å
362	K	92.2	Very high	93.1	Very high	162 Å²	162	65 Å²	65	70%	0.704	32%	0.32	S	S	*	.	H	α-helix	trans	-67	-50.9	-177.9	-64.4	-174.7	179.7	-179.4	0	110.2	D360 I364 W365 E366	D360-K362 VanDerWaalsContact C-N 3.28Å; D360-K362 PolarHBondContact O-N 3.44Å; D360-K362 WeakPolarHBondContact OD1-CB 3.29Å; D360-K362 PolarHBondContact OD1-N 2.75Å; K362-I364 VanDerWaalsContact C-N 3.32Å; K362-I364 PolarHBondContact O-N 2.89Å; K362-W365 PolarHBondContact O-N 2.81Å; K362-E366 WeakPolarHBondContact O-CG 3.34Å; K362-E366 PolarHBondContact O-N 3.3Å
363	K	92.9	Very high	93.2	Very high	120 Å²	120	60.2 Å²	60.2	52%	0.522	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-38.4	176.2	179.5	175	-179.1	173.1	0	113.4	D360 W365 E366 D367	D360-K363 HydrophobicContact CB-CB 4.13Å; D360-K363 PolarHBondContact OD1-N 3.05Å; D360-K363 VanDerWaalsContact OD2-CB 3.23Å; D360-K363 WeakPolarHBondContact OD2-CB 3.3Å; K363-W365 VanDerWaalsContact C-N 3.28Å; K363-W365 PolarHBondContact O-N 3.47Å; K363-E366 PolarHBondContact O-N 2.86Å; K363-D367 PolarHBondContact O-N 2.86Å
364	I	94	Very high	93.3	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-40.6	175.1	-70.8	166.3	0	0	0	110.8	F354 D360 V361 K362 I368 F410 L414	F354-I364 HydrophobicContact CD1-CD1 4.18Å; F354-I364 HydrophobicContact CD2-CD1 4.09Å; F354-I364 HydrophobicContact CE1-CD1 4.35Å; F354-I364 HydrophobicContact CE2-CD1 4.23Å; F354-I364 HydrophobicContact CE2-CG2 4.38Å; F354-I364 HydrophobicContact CG-CD1 4.07Å; F354-I364 HydrophobicContact CZ-CD1 4.37Å; D360-I364 VanDerWaalsContact O-CG1 3.3Å; D360-I364 WeakPolarHBondContact O-CG1 3.37Å; D360-I364 PolarHBondContact O-N 3.14Å; D360-I364 VanDerWaalsContact O-N 3.15Å; V361-I364 PolarHBondContact O-N 2.93Å; K362-I364 VanDerWaalsContact C-N 3.32Å; K362-I364 PolarHBondContact O-N 2.89Å; I364-I368 HydrophobicContact CG2-CD1 4.15Å; I364-I368 VanDerWaalsContact O-CG1 3.3Å; I364-I368 WeakPolarHBondContact O-CG1 3.44Å; I364-I368 PolarHBondContact O-N 2.9Å; I364-I368 VanDerWaalsContact O-N 3.1Å; I364-F410 HydrophobicContact CG2-CE1 3.97Å; I364-F410 HydrophobicContact CG2-CZ 3.59Å; I364-L414 HydrophobicContact CD1-CD1 4.15Å
365	W	93.9	Very high	93.3	Very high	27 Å²	27	57.8 Å²	57.8	10%	0.102	29%	0.293	C	S	.	.	H	α-helix	trans	-73.4	-35.6	176	-81.4	109.1	0	0	0	113.6	I280 V294 I347 N351 V361 K362 K363 I368 D369	I280-W365 HydrophobicContact CD1-CZ3 4.34Å; V294-W365 HydrophobicContact CG1-CZ3 3.93Å; I347-W365 HydrophobicContact CG2-CH2 4.03Å; I347-W365 HydrophobicContact CG2-CZ2 3.53Å; N351-W365 PolarHBondContact ND2-NE1 3.4Å; N351-W365 PolarHBondContact OD1-NE1 2.82Å; N351-W365 VanDerWaalsContact OD1-NE1 3.08Å; V361-W365 VanDerWaalsContact O-CD1 3.26Å; V361-W365 PolarHBondContact O-N 3.4Å; V361-W365 VanDerWaalsContact O-N 3.17Å; K362-W365 PolarHBondContact O-N 2.81Å; K363-W365 VanDerWaalsContact C-N 3.28Å; K363-W365 PolarHBondContact O-N 3.47Å; W365-I368 HydrophobicContact CD2-CD1 4.42Å; W365-I368 HydrophobicContact CE3-CB 4.24Å; W365-I368 HydrophobicContact CE3-CD1 4.04Å; W365-I368 HydrophobicContact CE3-CG2 3.85Å; W365-I368 HydrophobicContact CZ3-CD1 4.48Å; W365-I368 HydrophobicContact CZ3-CG2 4.08Å; W365-I368 WeakPolarHBondContact O-CB 3.22Å; W365-I368 PolarHBondContact O-N 2.85Å; W365-D369 VanDerWaalsContact O-CG 3.22Å; W365-D369 PolarHBondContact O-N 3.45Å
366	E	93.1	Very high	93.3	Very high	126 Å²	126	50.6 Å²	50.6	59%	0.589	26%	0.262	S	S	*	.	H	α-helix	trans	-61.7	-43.9	172.4	-70.4	168.2	-169.7	0	0	112.2	K362 K363 I368 D369 D370	K362-E366 WeakPolarHBondContact O-CG 3.34Å; K362-E366 PolarHBondContact O-N 3.3Å; K363-E366 PolarHBondContact O-N 2.86Å; E366-I368 VanDerWaalsContact C-N 3.31Å; E366-I368 PolarHBondContact O-N 2.83Å; E366-D369 PolarHBondContact O-N 2.93Å; E366-D370 PolarHBondContact O-N 3.19Å
367	D	94	Very high	93.2	Very high	64 Å²	64	45.2 Å²	45.2	34%	0.342	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-34.6	173.6	-91.2	-27.6	0	0	0	111.5	K363 V371 P416	K363-D367 PolarHBondContact O-N 2.86Å; D367-V371 VanDerWaalsContact O-CG2 3.31Å; D367-V371 WeakPolarHBondContact O-CG2 3.26Å; D367-V371 PolarHBondContact O-N 3.33Å; D367-P416 HydrophobicContact CB-CG 3.87Å; D367-P416 WeakPolarHBondContact O-CG 3.32Å
368	I	95	Very high	93.1	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-44.4	173.6	-78.6	167.4	0	0	0	111.4	L278 I280 I364 W365 E366 V371 I372 I408 F410 P416	L278-I368 HydrophobicContact CD1-CD1 4.12Å; I280-I368 HydrophobicContact CD1-CD1 4.15Å; I280-I368 HydrophobicContact CD1-CG2 3.82Å; I364-I368 HydrophobicContact CG2-CD1 4.15Å; I364-I368 VanDerWaalsContact O-CG1 3.3Å; I364-I368 WeakPolarHBondContact O-CG1 3.44Å; I364-I368 PolarHBondContact O-N 2.9Å; I364-I368 VanDerWaalsContact O-N 3.1Å; W365-I368 HydrophobicContact CD2-CD1 4.42Å; W365-I368 HydrophobicContact CE3-CB 4.24Å; W365-I368 HydrophobicContact CE3-CD1 4.04Å; W365-I368 HydrophobicContact CE3-CG2 3.85Å; W365-I368 HydrophobicContact CZ3-CD1 4.48Å; W365-I368 HydrophobicContact CZ3-CG2 4.08Å; W365-I368 WeakPolarHBondContact O-CB 3.22Å; W365-I368 PolarHBondContact O-N 2.85Å; E366-I368 VanDerWaalsContact C-N 3.31Å; E366-I368 PolarHBondContact O-N 2.83Å; I368-V371 WeakPolarHBondContact O-CB 3.4Å; I368-V371 PolarHBondContact O-N 3.23Å; I368-I372 HydrophobicContact CG2-CD1 3.65Å; I368-I372 HydrophobicContact CG2-CG1 4.44Å; I368-I372 WeakPolarHBondContact O-CG1 3.39Å; I368-I372 PolarHBondContact O-N 3.39Å; I368-I408 HydrophobicContact CG2-CD1 4.29Å; I368-F410 HydrophobicContact CD1-CE1 4.34Å; I368-F410 HydrophobicContact CD1-CZ 4.01Å; I368-F410 HydrophobicContact CG1-CE1 4.48Å; I368-P416 HydrophobicContact CG1-CB 4.16Å; I368-P416 HydrophobicContact CG1-CG 4.25Å
369	D	94.5	Very high	92.9	Very high	22 Å²	22	38 Å²	38	12%	0.118	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-42.4	-178.4	-69.1	-17.5	0	0	0	111.5	W365 E366 V371 I372 I373 R507 I509	W365-D369 VanDerWaalsContact O-CG 3.22Å; W365-D369 PolarHBondContact O-N 3.45Å; E366-D369 PolarHBondContact O-N 2.93Å; D369-V371 VanDerWaalsContact C-N 3.27Å; D369-V371 PolarHBondContact O-N 3.42Å; D369-I372 PolarHBondContact O-N 3.49Å; D369-I372 VanDerWaalsContact O-N 3.15Å; D369-I373 WeakPolarHBondContact O-CB 3.27Å; D369-I373 VanDerWaalsContact O-CG1 3.22Å; D369-I373 WeakPolarHBondContact O-CG1 3.2Å; D369-I373 PolarHBondContact O-N 3.36Å; D369-R507 IonicContact OD1-CZ 2.73Å; D369-R507 IonicContact OD1-NH1 2.68Å; D369-R507 PolarHBondContact OD1-NH1 3.41Å; D369-R507 IonicContact OD1-NH2 2.75Å; D369-R507 PolarHBondContact OD1-NH2 3.06Å; D369-R507 IonicContact OD2-CZ 2.71Å; D369-R507 IonicContact OD2-NH1 2.67Å; D369-R507 PolarHBondContact OD2-NH1 2.86Å; D369-R507 IonicContact OD2-NH2 3.8Å; D369-R507 PolarHBondContact OD2-NH2 3.11Å; D369-I509 HydrophobicContact CB-CG2 4.41Å
370	D	93.3	Very high	92.8	Very high	18 Å²	18	34.8 Å²	34.8	10%	0.096	17%	0.166	C	C	.	.	H	α-helix	trans	-56.4	-41.4	173.6	-177.9	83.6	0	0	0	111.6	E366 K374 K517	E366-D370 PolarHBondContact O-N 3.19Å; D370-K374 VanDerWaalsContact CG-NZ 3.28Å; D370-K374 WeakPolarHBondContact O-CB 3.34Å; D370-K374 WeakPolarHBondContact O-CD 3.18Å; D370-K374 VanDerWaalsContact O-CG 3.24Å; D370-K374 WeakPolarHBondContact O-CG 3.37Å; D370-K374 PolarHBondContact O-N 2.66Å; D370-K374 WeakPolarHBondContact OD1-CE 3.36Å; D370-K374 IonicContact OD1-NZ 3.96Å; D370-K374 PolarHBondContact OD1-NZ 2.96Å; D370-K374 VanDerWaalsContact OD1-NZ 3.08Å; D370-K374 WeakPolarHBondContact OD2-CD 3.32Å; D370-K374 VanDerWaalsContact OD2-CE 3.27Å; D370-K374 WeakPolarHBondContact OD2-CE 3.32Å; D370-K374 IonicContact OD2-NZ 2.7Å; D370-K374 PolarHBondContact OD2-NZ 2.9Å; D370-K517 VanDerWaalsContact OD1-CE 3.25Å; D370-K517 WeakPolarHBondContact OD1-CE 3.45Å; D370-K517 IonicContact OD1-NZ 2.8Å; D370-K517 PolarHBondContact OD1-NZ 3.36Å
371	V	95.1	Very high	92.5	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-47	173.7	171.8	0	0	0	0	111.7	I205 D367 I368 D369 T375 I408 P416 V418	I205-V371 HydrophobicContact CB-CG1 4.35Å; I205-V371 HydrophobicContact CB-CG2 3.94Å; I205-V371 HydrophobicContact CG2-CG2 3.78Å; D367-V371 VanDerWaalsContact O-CG2 3.31Å; D367-V371 WeakPolarHBondContact O-CG2 3.26Å; D367-V371 PolarHBondContact O-N 3.33Å; I368-V371 WeakPolarHBondContact O-CB 3.4Å; I368-V371 PolarHBondContact O-N 3.23Å; D369-V371 VanDerWaalsContact C-N 3.27Å; D369-V371 PolarHBondContact O-N 3.42Å; V371-T375 VanDerWaalsContact O-CB 3.24Å; V371-T375 WeakPolarHBondContact O-CB 3.27Å; V371-T375 PolarHBondContact O-N 3.16Å; V371-T375 PolarHBondContact O-OG1 3.29Å; V371-I408 HydrophobicContact CG1-CD1 4.32Å; V371-P416 HydrophobicContact CG2-CB 4.27Å; V371-P416 HydrophobicContact CG2-CG 3.9Å; V371-V418 HydrophobicContact CG1-CB 4.03Å; V371-V418 HydrophobicContact CG1-CG1 4.47Å
372	I	95.4	Very high	92.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-49.7	-178.5	-69.2	165.9	0	0	0	110.7	I280 V282 V294 I368 D369 T375 L376 F406 I408 I509	I280-I372 HydrophobicContact CG2-CD1 4.22Å; V282-I372 HydrophobicContact CB-CG2 4.5Å; V282-I372 HydrophobicContact CG1-CG2 3.83Å; V282-I372 HydrophobicContact CG2-CD1 3.9Å; V282-I372 HydrophobicContact CG2-CG1 4.35Å; V282-I372 HydrophobicContact CG2-CG2 3.93Å; V294-I372 HydrophobicContact CG2-CD1 3.92Å; I368-I372 HydrophobicContact CG2-CD1 3.65Å; I368-I372 HydrophobicContact CG2-CG1 4.44Å; I368-I372 WeakPolarHBondContact O-CG1 3.39Å; I368-I372 PolarHBondContact O-N 3.39Å; D369-I372 PolarHBondContact O-N 3.49Å; D369-I372 VanDerWaalsContact O-N 3.15Å; I372-T375 PolarHBondContact O-N 2.88Å; I372-L376 PolarHBondContact O-N 3.44Å; I372-L376 VanDerWaalsContact O-N 3.14Å; I372-F406 HydrophobicContact CB-CE1 4.36Å; I372-F406 HydrophobicContact CG1-CD1 4.03Å; I372-F406 HydrophobicContact CG1-CE1 4.16Å; I372-F406 HydrophobicContact CG1-CG 4.39Å; I372-F406 HydrophobicContact CG2-CE1 4.27Å; I372-F406 HydrophobicContact CG2-CE2 4.29Å; I372-F406 HydrophobicContact CG2-CZ 3.99Å; I372-I408 HydrophobicContact CG1-CD1 4.37Å; I372-I509 HydrophobicContact CB-CD1 4.23Å; I372-I509 HydrophobicContact CG2-CD1 3.63Å
373	I	93.8	Very high	92	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-53	-179.4	-64.5	166	0	0	0	110	D369 T375 L376 L377 I509 Y510 Y518	D369-I373 WeakPolarHBondContact O-CB 3.27Å; D369-I373 VanDerWaalsContact O-CG1 3.22Å; D369-I373 WeakPolarHBondContact O-CG1 3.2Å; D369-I373 PolarHBondContact O-N 3.36Å; I373-T375 VanDerWaalsContact C-N 3.28Å; I373-T375 PolarHBondContact O-N 3.01Å; I373-L376 PolarHBondContact O-N 3.46Å; I373-L377 HydrophobicContact CG2-CD1 3.62Å; I373-L377 HydrophobicContact CG2-CG 4.24Å; I373-L377 WeakPolarHBondContact O-CB 3.43Å; I373-L377 VanDerWaalsContact O-CG 3.26Å; I373-L377 WeakPolarHBondContact O-CG 3.31Å; I373-L377 PolarHBondContact O-N 2.85Å; I373-I509 HydrophobicContact CD1-CB 4.49Å; I373-I509 WeakPolarHBondContact CD1-O 3.23Å; I373-I509 HydrophobicContact CG1-CD1 3.94Å; I373-Y510 HydrophobicContact CG2-CD2 3.88Å; I373-Y510 HydrophobicContact CG2-CE2 4.39Å; I373-Y518 HydrophobicContact CB-CD1 4.42Å; I373-Y518 HydrophobicContact CB-CE1 4.09Å; I373-Y518 HydrophobicContact CD1-CE1 4.26Å; I373-Y518 HydrophobicContact CD1-CE2 4.03Å; I373-Y518 HydrophobicContact CG2-CD1 3.51Å; I373-Y518 HydrophobicContact CG2-CD2 4.44Å; I373-Y518 HydrophobicContact CG2-CE1 3.66Å; I373-Y518 HydrophobicContact CG2-CG 3.94Å
374	K	92.7	Very high	91.8	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.035	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-37.3	179.1	-75.7	173.4	178.1	168.5	0	112.6	D202 Y203 I205 D370 L377 S378 F521	D202-K374 PolarHBondContact O-NZ 3.37Å; Y203-K374 HydrophobicContact CD1-CB 4.43Å; Y203-K374 HydrophobicContact CE1-CB 3.77Å; Y203-K374 HydrophobicContact CE1-CG 4.43Å; Y203-K374 VanDerWaalsContact CE1-O 3.26Å; Y203-K374 WeakPolarHBondContact CE1-O 3.46Å; Y203-K374 HydrophobicContact CE2-CB 4.33Å; Y203-K374 HydrophobicContact CE2-CD 4.32Å; Y203-K374 HydrophobicContact CE2-CG 4.11Å; Y203-K374 PolarHBondContact OH-O 2.97Å; Y203-K374 VanDerWaalsContact OH-O 3.09Å; I205-K374 HydrophobicContact CD1-CB 3.66Å; I205-K374 HydrophobicContact CG2-CD 4.47Å; D370-K374 VanDerWaalsContact CG-NZ 3.28Å; D370-K374 WeakPolarHBondContact O-CB 3.34Å; D370-K374 WeakPolarHBondContact O-CD 3.18Å; D370-K374 VanDerWaalsContact O-CG 3.24Å; D370-K374 WeakPolarHBondContact O-CG 3.37Å; D370-K374 PolarHBondContact O-N 2.66Å; D370-K374 WeakPolarHBondContact OD1-CE 3.36Å; D370-K374 IonicContact OD1-NZ 3.96Å; D370-K374 PolarHBondContact OD1-NZ 2.96Å; D370-K374 VanDerWaalsContact OD1-NZ 3.08Å; D370-K374 WeakPolarHBondContact OD2-CD 3.32Å; D370-K374 VanDerWaalsContact OD2-CE 3.27Å; D370-K374 WeakPolarHBondContact OD2-CE 3.32Å; D370-K374 IonicContact OD2-NZ 2.7Å; D370-K374 PolarHBondContact OD2-NZ 2.9Å; K374-L377 PolarHBondContact O-N 3.22Å; K374-S378 PolarHBondContact O-N 2.94Å; K374-F521 HydrophobicContact CG-CD2 4.48Å; K374-F521 HydrophobicContact CG-CE2 4.34Å
375	T	93.9	Very high	91.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-47.9	177.9	-61.7	0	0	0	0	111.3	L188 V371 I372 I373 S378 F406 V421	L188-T375 HydrophobicContact CD1-CG2 3.88Å; V371-T375 VanDerWaalsContact O-CB 3.24Å; V371-T375 WeakPolarHBondContact O-CB 3.27Å; V371-T375 PolarHBondContact O-N 3.16Å; V371-T375 PolarHBondContact O-OG1 3.29Å; I372-T375 PolarHBondContact O-N 2.88Å; I373-T375 VanDerWaalsContact C-N 3.28Å; I373-T375 PolarHBondContact O-N 3.01Å; T375-S378 WeakPolarHBondContact O-CB 3.32Å; T375-S378 PolarHBondContact O-N 3.45Å; T375-S378 PolarHBondContact O-OG 3.22Å; T375-F406 HydrophobicContact CG2-CE1 3.87Å; T375-F406 HydrophobicContact CG2-CZ 4.42Å; T375-V421 HydrophobicContact CG2-CG2 3.91Å
376	L	92.5	Very high	91.1	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-68.3	-40.1	177.2	-174.2	66.7	0	0	0	112.5	M179 I182 L284 L290 L292 I372 I373 S378 G379 Y380 I383	M179-L376 HydrophobicContact CE-CD1 4.15Å; M179-L376 HydrophobicContact SD-CD1 3.93Å; I182-L376 HydrophobicContact CD1-CD1 3.64Å; L284-L376 HydrophobicContact CD1-CD2 4.21Å; L284-L376 HydrophobicContact CD2-CD2 4.5Å; L290-L376 HydrophobicContact CD1-CD2 3.74Å; L292-L376 HydrophobicContact CD1-CD2 3.68Å; L292-L376 HydrophobicContact CD2-CD2 3.67Å; L292-L376 HydrophobicContact CG-CD2 4.02Å; I372-L376 PolarHBondContact O-N 3.44Å; I372-L376 VanDerWaalsContact O-N 3.14Å; I373-L376 PolarHBondContact O-N 3.46Å; L376-S378 PolarHBondContact O-N 3.18Å; L376-S378 VanDerWaalsContact O-N 3.12Å; L376-G379 PolarHBondContact O-N 3.18Å; L376-Y380 PolarHBondContact O-N 3.08Å; L376-I383 HydrophobicContact CD1-CD1 3.8Å
377	L	90.4	Very high	90.8	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-56.1	-29.6	177.3	-72.1	172.3	0	0	0	112.5	L290 I373 K374 G379 Y380 Y518 F521 L522	L290-L377 HydrophobicContact CD2-CD2 4.17Å; I373-L377 HydrophobicContact CG2-CD1 3.62Å; I373-L377 HydrophobicContact CG2-CG 4.24Å; I373-L377 WeakPolarHBondContact O-CB 3.43Å; I373-L377 VanDerWaalsContact O-CG 3.26Å; I373-L377 WeakPolarHBondContact O-CG 3.31Å; I373-L377 PolarHBondContact O-N 2.85Å; K374-L377 PolarHBondContact O-N 3.22Å; L377-G379 VanDerWaalsContact C-N 3.27Å; L377-G379 PolarHBondContact O-N 3.49Å; L377-Y380 HydrophobicContact CD2-CD1 4.46Å; L377-Y380 HydrophobicContact CD2-CG 4.5Å; L377-Y380 PolarHBondContact O-N 2.69Å; L377-Y518 HydrophobicContact CD1-CD1 4.17Å; L377-F521 HydrophobicContact CD1-CB 4.12Å; L377-F521 HydrophobicContact CD1-CD2 4.25Å; L377-L522 HydrophobicContact CD2-CD2 3.47Å; L377-L522 VanDerWaalsContact CD2-CD2 3.47Å; L377-L522 HydrophobicContact CD2-CG 4.31Å
378	S	89.8	Confident	90.4	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-26.6	175.5	79.1	0	0	0	0	114.8	K374 T375 L376	K374-S378 PolarHBondContact O-N 2.94Å; T375-S378 WeakPolarHBondContact O-CB 3.32Å; T375-S378 PolarHBondContact O-N 3.45Å; T375-S378 PolarHBondContact O-OG 3.22Å; L376-S378 PolarHBondContact O-N 3.18Å; L376-S378 VanDerWaalsContact O-N 3.12Å
379	G	87.4	Confident	89.9	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-111.1	-7.4	176	0	0	0	0	0	114.7	L376 L377 A381 I382 I383	L376-G379 PolarHBondContact O-N 3.18Å; L377-G379 VanDerWaalsContact C-N 3.27Å; L377-G379 PolarHBondContact O-N 3.49Å; G379-A381 VanDerWaalsContact C-N 3.34Å; G379-A381 PolarHBondContact O-N 3.42Å; G379-I382 WeakPolarHBondContact O-CB 3.21Å; G379-I382 WeakPolarHBondContact O-CG1 3.46Å; G379-I382 PolarHBondContact O-N 3.4Å; G379-I382 VanDerWaalsContact O-N 3.08Å; G379-I383 PolarHBondContact O-N 2.7Å
380	Y	89.6	Confident	89.3	Confident	20 Å²	20	24.2 Å²	24.2	8%	0.078	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-42	-169.3	172.5	-112.7	0	0	0	114.4	C287 L290 L376 L377 I382 I383 R384 L522	C287-Y380 VanDerWaalsContact O-CE2 3.27Å; C287-Y380 WeakPolarHBondContact O-CE2 3.29Å; C287-Y380 PolarHBondContact O-OH 2.79Å; L290-Y380 HydrophobicContact CB-CE2 3.78Å; L290-Y380 HydrophobicContact CD1-CD2 4.3Å; L290-Y380 HydrophobicContact CD1-CE2 4.17Å; L290-Y380 HydrophobicContact CD2-CD2 4.07Å; L290-Y380 HydrophobicContact CD2-CE2 4.06Å; L290-Y380 HydrophobicContact CG-CE2 4.22Å; L376-Y380 PolarHBondContact O-N 3.08Å; L377-Y380 HydrophobicContact CD2-CD1 4.46Å; L377-Y380 HydrophobicContact CD2-CG 4.5Å; L377-Y380 PolarHBondContact O-N 2.69Å; Y380-I382 PolarHBondContact O-N 3.01Å; Y380-I383 PolarHBondContact O-N 2.79Å; Y380-R384 HydrophobicContact CE2-CB 4.33Å; Y380-R384 WeakPolarHBondContact O-CB 3.22Å; Y380-R384 PolarHBondContact O-N 2.97Å; Y380-L522 HydrophobicContact CD1-CD2 3.77Å; Y380-L522 HydrophobicContact CE1-CD2 3.56Å
381	A	86.1	Confident	88.8	Confident	36 Å²	36	23.8 Å²	23.8	30%	0.298	12%	0.115	S	C	.	.	H	α-helix	trans	-57.2	-37.4	-179.8	0	0	0	0	0	112.9	G379 H385	G379-A381 VanDerWaalsContact C-N 3.34Å; G379-A381 PolarHBondContact O-N 3.42Å; A381-H385 VanDerWaalsContact O-CB 3.3Å; A381-H385 WeakPolarHBondContact O-CB 3.45Å; A381-H385 PolarHBondContact O-N 2.91Å
382	I	86.4	Confident	87.8	Confident	26 Å²	26	28.1 Å²	28.1	13%	0.133	14%	0.143	C	C	.	.	H	α-helix	trans	-73.7	-46.8	-179.7	-37.2	163.8	0	0	0	110	E181 G379 Y380 R384 H385 N386 F528	E181-I382 HydrophobicContact CB-CD1 3.49Å; E181-I382 VanDerWaalsContact CB-CD1 3.49Å; E181-I382 HydrophobicContact CG-CD1 3.5Å; E181-I382 VanDerWaalsContact CG-CD1 3.5Å; G379-I382 WeakPolarHBondContact O-CB 3.21Å; G379-I382 WeakPolarHBondContact O-CG1 3.46Å; G379-I382 PolarHBondContact O-N 3.4Å; G379-I382 VanDerWaalsContact O-N 3.08Å; Y380-I382 PolarHBondContact O-N 3.01Å; I382-R384 VanDerWaalsContact C-N 3.34Å; I382-R384 PolarHBondContact O-N 3.12Å; I382-H385 PolarHBondContact O-N 3.18Å; I382-N386 WeakPolarHBondContact O-CB 3.34Å; I382-N386 VanDerWaalsContact O-CG 3.24Å; I382-N386 PolarHBondContact O-N 2.71Å; I382-F528 HydrophobicContact CD1-CD2 4.49Å; I382-F528 HydrophobicContact CD1-CE1 3.9Å; I382-F528 HydrophobicContact CD1-CE2 3.46Å; I382-F528 VanDerWaalsContact CD1-CE2 3.46Å; I382-F528 HydrophobicContact CD1-CZ 3.13Å; I382-F528 HydrophobicContact CG1-CD1 4.41Å; I382-F528 HydrophobicContact CG1-CD2 4.23Å; I382-F528 HydrophobicContact CG1-CE1 3.83Å; I382-F528 HydrophobicContact CG1-CE2 3.64Å; I382-F528 HydrophobicContact CG1-CZ 3.47Å; I382-F528 VanDerWaalsContact CG1-CZ 3.47Å
383	I	88.6	Confident	86.5	Confident	2 Å²	2	31 Å²	31	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-45.4	-179.6	-62	161.2	0	0	0	109.5	F176 M179 C287 L376 G379 Y380 Y387	F176-I383 HydrophobicContact CB-CG2 4.04Å; F176-I383 HydrophobicContact CD1-CG2 4.2Å; F176-I383 HydrophobicContact CG-CG2 4.34Å; M179-I383 HydrophobicContact CE-CD1 3.87Å; M179-I383 HydrophobicContact CE-CG2 4.45Å; M179-I383 HydrophobicContact SD-CD1 3.59Å; M179-I383 VanDerWaalsContact SD-CD1 3.59Å; M179-I383 HydrophobicContact SD-CG1 4.48Å; C287-I383 HydrophobicContact CB-CG2 4.19Å; L376-I383 HydrophobicContact CD1-CD1 3.8Å; G379-I383 PolarHBondContact O-N 2.7Å; Y380-I383 PolarHBondContact O-N 2.79Å; I383-Y387 WeakPolarHBondContact O-CB 3.38Å; I383-Y387 PolarHBondContact O-N 3.1Å
384	R	87.9	Confident	85.4	Confident	58 Å²	58	32.4 Å²	32.4	22%	0.219	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-43.6	176.3	-167.4	-171.9	-169.4	-161.7	5.5	112.2	D288 Y380 I382 R388	D288-R384 HydrophobicContact CB-CG 4.44Å; D288-R384 IonicContact OD1-CZ 3.82Å; D288-R384 IonicContact OD1-NE 2.7Å; D288-R384 PolarHBondContact OD1-NE 2.9Å; D288-R384 IonicContact OD1-NH2 3.17Å; D288-R384 PolarHBondContact OD1-NH2 2.93Å; Y380-R384 HydrophobicContact CE2-CB 4.33Å; Y380-R384 WeakPolarHBondContact O-CB 3.22Å; Y380-R384 PolarHBondContact O-N 2.97Å; I382-R384 VanDerWaalsContact C-N 3.34Å; I382-R384 PolarHBondContact O-N 3.12Å; R384-R388 WeakPolarHBondContact O-CB 3.47Å; R384-R388 WeakPolarHBondContact O-CG 3.5Å; R384-R388 PolarHBondContact O-N 3.1Å
385	H	86.1	Confident	84.1	Confident	90 Å²	90	33.8 Å²	33.8	42%	0.417	17%	0.173	S	C	.	.	H	α-helix	trans	-62	-54.9	176	173.6	79.9	0	0	0	111.1	A381 I382 Y387 R388 T389	A381-H385 VanDerWaalsContact O-CB 3.3Å; A381-H385 WeakPolarHBondContact O-CB 3.45Å; A381-H385 PolarHBondContact O-N 2.91Å; I382-H385 PolarHBondContact O-N 3.18Å; H385-Y387 VanDerWaalsContact C-N 3.33Å; H385-Y387 PolarHBondContact O-N 3.23Å; H385-R388 PolarHBondContact O-N 3.44Å; H385-T389 PolarHBondContact O-N 3.03Å; H385-T389 PolarHBondContact O-OG1 3.36Å; H385-T389 VanDerWaalsContact O-OG1 3.09Å
386	N	86.8	Confident	82.7	Confident	31 Å²	31	35 Å²	35	17%	0.166	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-42.9	179.6	-71.5	-8.3	0	0	0	112.2	P177 G178 I382 T389 C390	P177-N386 HydrophobicContact CB-CB 4.15Å; P177-N386 HydrophobicContact CG-CB 4.17Å; P177-N386 WeakPolarHBondContact O-CB 3.49Å; P177-N386 PolarHBondContact O-ND2 3.2Å; G178-N386 WeakPolarHBondContact CA-ND2 3.23Å; I382-N386 WeakPolarHBondContact O-CB 3.34Å; I382-N386 VanDerWaalsContact O-CG 3.24Å; I382-N386 PolarHBondContact O-N 2.71Å; N386-T389 PolarHBondContact O-N 3.5Å; N386-C390 WeakPolarHBondContact O-CB 3.18Å; N386-C390 PolarHBondContact O-N 3.44Å; N386-C390 PolarHBondContact O-SG 2.94Å
387	Y	87.7	Confident	81.8	Confident	16 Å²	16	35.9 Å²	35.9	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-47.2	177.3	-178.7	-87.8	0	0	0	111.5	F176 C287 I383 H385 T389 C390 F391 S398 A399 C400	F176-Y387 AromaticContact CD1-CD2 3.84Å; F176-Y387 HydrophobicContact CD1-CD2 3.84Å; F176-Y387 HydrophobicContact CD1-CE2 4.44Å; F176-Y387 AromaticContact CE1-CD2 3.97Å; F176-Y387 HydrophobicContact CE1-CD2 3.97Å; F176-Y387 HydrophobicContact CE1-CE2 4.18Å; C287-Y387 WeakPolarHBondContact SG-CB 3.31Å; I383-Y387 WeakPolarHBondContact O-CB 3.38Å; I383-Y387 PolarHBondContact O-N 3.1Å; H385-Y387 VanDerWaalsContact C-N 3.33Å; H385-Y387 PolarHBondContact O-N 3.23Å; Y387-T389 VanDerWaalsContact C-N 3.33Å; Y387-T389 PolarHBondContact O-N 3.49Å; Y387-C390 PolarHBondContact O-N 3.47Å; Y387-F391 HydrophobicContact CD1-CD2 4.41Å; Y387-F391 AromaticContact CD2-CD2 3.37Å; Y387-F391 HydrophobicContact CD2-CD2 3.37Å; Y387-F391 AromaticContact CD2-CE2 3.61Å; Y387-F391 HydrophobicContact CD2-CE2 3.61Å; Y387-F391 HydrophobicContact CD2-CG 4.49Å; Y387-F391 HydrophobicContact CE1-CB 4.29Å; Y387-F391 HydrophobicContact CE1-CD2 4.36Å; Y387-F391 AromaticContact CE2-CD2 3.3Å; Y387-F391 HydrophobicContact CE2-CD2 3.3Å; Y387-F391 AromaticContact CE2-CE2 3.56Å; Y387-F391 HydrophobicContact CE2-CE2 3.56Å; Y387-F391 HydrophobicContact CE2-CG 4.13Å; Y387-F391 AromaticContact CG-CD2 3.93Å; Y387-F391 HydrophobicContact CG-CD2 3.93Å; Y387-F391 AromaticContact CZ-CD2 3.82Å; Y387-F391 WeakPolarHBondContact O-CD2 3.45Å; Y387-F391 PolarHBondContact O-N 3.23Å; Y387-S398 WeakPolarHBondContact OH-CA 3.48Å; Y387-A399 HydrophobicContact CE2-CB 4.31Å; Y387-A399 PolarHBondContact OH-N 3.48Å; Y387-C400 HydrophobicContact CD2-CB 4.4Å; Y387-C400 HydrophobicContact CE2-CB 4.12Å
388	R	84.7	Confident	81.6	Confident	123 Å²	123	36.2 Å²	36.2	46%	0.464	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-40.4	176.2	-76.8	177.7	168	-157.9	-7.5	112.4	D288 R384 H385	D288-R388 IonicContact OD1-CZ 2.98Å; D288-R388 IonicContact OD1-NE 3.98Å; D288-R388 IonicContact OD1-NH2 2.91Å; D288-R388 PolarHBondContact OD1-NH2 2.96Å; D288-R388 IonicContact OD2-CZ 3.54Å; D288-R388 IonicContact OD2-NE 2.71Å; D288-R388 PolarHBondContact OD2-NE 3Å; D288-R388 IonicContact OD2-NH2 3.41Å; D288-R388 PolarHBondContact OD2-NH2 2.89Å; R384-R388 WeakPolarHBondContact O-CB 3.47Å; R384-R388 WeakPolarHBondContact O-CG 3.5Å; R384-R388 PolarHBondContact O-N 3.1Å; H385-R388 PolarHBondContact O-N 3.44Å
389	T	84.4	Confident	81.4	Confident	49 Å²	49	36 Å²	36	30%	0.301	19%	0.186	S	C	.	.	H	α-helix	trans	-66.8	-37.1	175.6	-59	0	0	0	0	112.2	H385 N386 Y387	H385-T389 PolarHBondContact O-N 3.03Å; H385-T389 PolarHBondContact O-OG1 3.36Å; H385-T389 VanDerWaalsContact O-OG1 3.09Å; N386-T389 PolarHBondContact O-N 3.5Å; Y387-T389 VanDerWaalsContact C-N 3.33Å; Y387-T389 PolarHBondContact O-N 3.49Å
390	C	82.5	Confident	81.6	Confident	10 Å²	10	36 Å²	36	7%	0.068	19%	0.185	C	C	.	.	H	α-helix	trans	-77.3	-36.1	179.2	-67.3	0	0	0	0	113.8	V164 P177 N386 Y387	V164-C390 HydrophobicContact CB-CB 4.41Å; V164-C390 HydrophobicContact CG1-CB 3.7Å; P177-C390 HydrophobicContact CG-CB 4.34Å; N386-C390 WeakPolarHBondContact O-CB 3.18Å; N386-C390 PolarHBondContact O-N 3.44Å; N386-C390 PolarHBondContact O-SG 2.94Å; Y387-C390 PolarHBondContact O-N 3.47Å
391	F	83	Confident	81.8	Confident	9 Å²	9	35.3 Å²	35.3	4%	0.039	18%	0.183	C	C	.	.			trans	-126	46.7	-166	-59.4	-72.8	0	0	0	115.8	V164 M167 P177 Y387 N393 H394 A399 C400	V164-F391 HydrophobicContact CB-CZ 4.5Å; V164-F391 HydrophobicContact CG1-CD1 4.34Å; V164-F391 HydrophobicContact CG1-CD2 4.24Å; V164-F391 HydrophobicContact CG1-CE1 3.53Å; V164-F391 HydrophobicContact CG1-CE2 3.4Å; V164-F391 HydrophobicContact CG1-CZ 3.03Å; M167-F391 HydrophobicContact CB-CE1 4.33Å; M167-F391 HydrophobicContact CE-CE1 4.26Å; M167-F391 HydrophobicContact SD-CE1 3.93Å; M167-F391 HydrophobicContact SD-CZ 4.11Å; P177-F391 HydrophobicContact CG-CE2 4.49Å; Y387-F391 HydrophobicContact CD1-CD2 4.41Å; Y387-F391 AromaticContact CD2-CD2 3.37Å; Y387-F391 HydrophobicContact CD2-CD2 3.37Å; Y387-F391 AromaticContact CD2-CE2 3.61Å; Y387-F391 HydrophobicContact CD2-CE2 3.61Å; Y387-F391 HydrophobicContact CD2-CG 4.49Å; Y387-F391 HydrophobicContact CE1-CB 4.29Å; Y387-F391 HydrophobicContact CE1-CD2 4.36Å; Y387-F391 AromaticContact CE2-CD2 3.3Å; Y387-F391 HydrophobicContact CE2-CD2 3.3Å; Y387-F391 AromaticContact CE2-CE2 3.56Å; Y387-F391 HydrophobicContact CE2-CE2 3.56Å; Y387-F391 HydrophobicContact CE2-CG 4.13Å; Y387-F391 AromaticContact CG-CD2 3.93Å; Y387-F391 HydrophobicContact CG-CD2 3.93Å; Y387-F391 AromaticContact CZ-CD2 3.82Å; Y387-F391 WeakPolarHBondContact O-CD2 3.45Å; Y387-F391 PolarHBondContact O-N 3.23Å; F391-N393 PolarHBondContact O-N 3.04Å; F391-H394 HydrophobicContact CB-CB 4.19Å; F391-H394 AromaticContact CD1-CD2 3.54Å; F391-H394 AromaticContact CD1-NE2 3.66Å; F391-H394 PolarHBondContact O-N 3.11Å; F391-H394 VanDerWaalsContact O-N 3.13Å; F391-A399 HydrophobicContact CD1-CB 3.52Å; F391-A399 HydrophobicContact CD2-CB 4.19Å; F391-A399 HydrophobicContact CE1-CB 3.24Å; F391-A399 HydrophobicContact CE2-CB 3.96Å; F391-A399 HydrophobicContact CG-CB 3.95Å; F391-A399 HydrophobicContact CZ-CB 3.42Å; F391-A399 VanDerWaalsContact CZ-CB 3.42Å; F391-C400 WeakPolarHBondContact CE2-SG 3.49Å; F391-C400 VanDerWaalsContact CZ-SG 3.52Å
392	P	73.1	Confident	82.2	Confident	94 Å²	94	33.7 Å²	33.7	61%	0.61	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-3.2	-175.8	27.5	-36.5	0	0	0	115.5
393	N	68.8	Low	82.6	Confident	61 Å²	61	32.8 Å²	32.8	33%	0.326	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	1.3	179.7	-58.3	-82.7	0	0	0	114.1	Q169 F391 I395	Q169-N393 HydrophobicContact CG-CB 4.13Å; F391-N393 PolarHBondContact O-N 3.04Å; N393-I395 PolarHBondContact O-N 3.23Å
394	H	71.4	Confident	82.9	Confident	32 Å²	32	32.7 Å²	32.7	15%	0.148	16%	0.164	C	C	.	.			trans	-89	92.5	-180	-78.5	-106.1	0	0	0	111.2	K168 Q169 F391 A399	K168-H394 PolarHBondContact O-CE1 3.21Å; Q169-H394 VanDerWaalsContact CA-CE1 3.46Å; Q169-H394 WeakPolarHBondContact CA-CE1 3.38Å; F391-H394 HydrophobicContact CB-CB 4.19Å; F391-H394 AromaticContact CD1-CD2 3.54Å; F391-H394 AromaticContact CD1-NE2 3.66Å; F391-H394 PolarHBondContact O-N 3.11Å; F391-H394 VanDerWaalsContact O-N 3.13Å; H394-A399 WeakPolarHBondContact ND1-CB 3.44Å
395	I	65.5	Low	83.2	Confident	37 Å²	37	30 Å²	30	19%	0.19	15%	0.153	C	C	.	.			trans	-103.1	-30.9	-173.2	-62	148.8	0	0	0	112.3	N393 L484 D487 V488 Y491	N393-I395 PolarHBondContact O-N 3.23Å; I395-L484 HydrophobicContact CD1-CD1 3.38Å; I395-L484 HydrophobicContact CG1-CD1 3.7Å; I395-L484 HydrophobicContact CG2-CD1 4.26Å; I395-D487 HydrophobicContact CG2-CB 4.43Å; I395-V488 HydrophobicContact CG2-CG2 3.9Å; I395-Y491 HydrophobicContact CG2-CD2 4.17Å
396	Q	64.7	Low	83.7	Confident	26 Å²	26	25.7 Å²	25.7	12%	0.121	13%	0.134	C	C	.	.	S	Bend	trans	-83.7	-33.8	-170.3	-59.4	-172.1	-3.3	0	0	113.6	V454 E462 Y491	Q396-V454 HydrophobicContact CB-CG2 4.41Å; Q396-E462 PolarHBondContact NE2-OE1 2.88Å; Q396-E462 PolarHBondContact NE2-OE2 3.48Å; Q396-Y491 HydrophobicContact CB-CD1 4.25Å; Q396-Y491 HydrophobicContact CB-CE1 4.29Å; Q396-Y491 HydrophobicContact CB-CG 4.43Å; Q396-Y491 HydrophobicContact CG-CD1 4.44Å; Q396-Y491 HydrophobicContact CG-CD2 4.3Å; Q396-Y491 HydrophobicContact CG-CE1 4.08Å; Q396-Y491 HydrophobicContact CG-CE2 3.94Å
397	T	73.9	Confident	84.1	Confident	20 Å²	20	24.4 Å²	24.4	12%	0.123	13%	0.127	C	C	.	.	S	Bend	trans	-156.6	158.9	173.8	65.3	0	0	0	0	109.7	K172 A399 A453 V454	K172-T397 WeakPolarHBondContact CE-OG1 3.21Å; K172-T397 PolarHBondContact NZ-OG1 3.42Å; T397-A399 PolarHBondContact O-N 3.31Å; T397-A453 HydrophobicContact CG2-CB 3.85Å; T397-V454 HydrophobicContact CG2-CG2 3.55Å; T397-V454 WeakPolarHBondContact OG1-CG2 3.38Å
398	S	84.5	Confident	84.5	Confident	16 Å²	16	23.7 Å²	23.7	11%	0.112	12%	0.124	C	C	.	.			trans	-53.4	137.1	166	-174.1	0	0	0	0	112.2	K172 T285 Y387 C400	K172-S398 WeakPolarHBondContact CE-O 2.94Å; K172-S398 PolarHBondContact NZ-O 3.17Å; T285-S398 WeakPolarHBondContact O-CB 3.37Å; T285-S398 PolarHBondContact O-OG 3.04Å; Y387-S398 WeakPolarHBondContact OH-CA 3.48Å; S398-C400 WeakPolarHBondContact CB-O 3.44Å; S398-C400 PolarHBondContact OG-N 2.97Å; S398-C400 PolarHBondContact OG-O 2.94Å
399	A	86.5	Confident	85	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-79	-26.7	172.8	0	0	0	0	0	112.4	K172 I173 Y387 F391 H394 T397	K172-A399 CarbonylContact C-O 3.56Å; K172-A399 WeakPolarHBondContact CA-O 3.4Å; I173-A399 PolarHBondContact N-O 2.98Å; Y387-A399 HydrophobicContact CE2-CB 4.31Å; Y387-A399 PolarHBondContact OH-N 3.48Å; F391-A399 HydrophobicContact CD1-CB 3.52Å; F391-A399 HydrophobicContact CD2-CB 4.19Å; F391-A399 HydrophobicContact CE1-CB 3.24Å; F391-A399 HydrophobicContact CE2-CB 3.96Å; F391-A399 HydrophobicContact CG-CB 3.95Å; F391-A399 HydrophobicContact CZ-CB 3.42Å; F391-A399 VanDerWaalsContact CZ-CB 3.42Å; H394-A399 WeakPolarHBondContact ND1-CB 3.44Å; T397-A399 PolarHBondContact O-N 3.31Å
400	C	91	Very high	85.5	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.007	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-109.2	143.7	-179.9	-68.3	0	0	0	0	110.3	I173 H175 F176 T285 Y387 F391 S398	I173-C400 HydrophobicContact CG2-CB 4.48Å; I173-C400 VanDerWaalsContact CG2-SG 3.55Å; I173-C400 WeakPolarHBondContact O-CA 3.27Å; H175-C400 PolarHBondContact O-SG 3.22Å; F176-C400 HydrophobicContact CB-CB 4.45Å; F176-C400 HydrophobicContact CD1-CB 3.47Å; F176-C400 VanDerWaalsContact CD1-CB 3.47Å; F176-C400 HydrophobicContact CD2-CB 3.72Å; F176-C400 HydrophobicContact CE1-CB 3.43Å; F176-C400 VanDerWaalsContact CE1-CB 3.43Å; F176-C400 HydrophobicContact CE2-CB 3.67Å; F176-C400 HydrophobicContact CG-CB 3.61Å; F176-C400 HydrophobicContact CZ-CB 3.53Å; F176-C400 WeakPolarHBondContact CZ-O 3.26Å; T285-C400 VanDerWaalsContact O-O 3.12Å; Y387-C400 HydrophobicContact CD2-CB 4.4Å; Y387-C400 HydrophobicContact CE2-CB 4.12Å; F391-C400 WeakPolarHBondContact CE2-SG 3.49Å; F391-C400 VanDerWaalsContact CZ-SG 3.52Å; S398-C400 WeakPolarHBondContact CB-O 3.44Å; S398-C400 PolarHBondContact OG-N 2.97Å; S398-C400 PolarHBondContact OG-O 2.94Å
401	F	93.3	Very high	86	Confident	5 Å²	5	16.3 Å²	16.3	2%	0.022	9%	0.091	C	C	.	.			trans	-135.6	155.8	156.8	62.9	-84.6	0	0	0	106.9	L152 W154 K172 I173 N174 H175 L283 L284 T445 A449 F451	L152-F401 HydrophobicContact CD1-CE1 3.76Å; L152-F401 HydrophobicContact CD1-CZ 3.76Å; W154-F401 HydrophobicContact CE3-CZ 4.36Å; W154-F401 AromaticContact CZ3-CE2 3.9Å; W154-F401 HydrophobicContact CZ3-CE2 3.9Å; W154-F401 HydrophobicContact CZ3-CZ 4.12Å; K172-F401 HydrophobicContact CB-CE1 4.23Å; I173-F401 PolarHBondContact O-N 2.6Å; N174-F401 CarbonylContact C-O 3.58Å; N174-F401 WeakPolarHBondContact CA-O 3.49Å; N174-F401 HydrophobicContact CB-CE2 3.98Å; N174-F401 HydrophobicContact CB-CZ 4.03Å; H175-F401 PolarHBondContact N-O 3.03Å; H175-F401 VanDerWaalsContact N-O 3.15Å; L283-F401 HydrophobicContact CD1-CB 4.37Å; L283-F401 HydrophobicContact CD1-CD2 4.32Å; L284-F401 CarbonylContact O-C 3.53Å; L284-F401 WeakPolarHBondContact O-CA 3.44Å; F401-T445 HydrophobicContact CD2-CG2 3.88Å; F401-T445 HydrophobicContact CE2-CG2 3.94Å; F401-A449 HydrophobicContact CD1-CB 4.26Å; F401-A449 HydrophobicContact CE1-CB 4.36Å; F401-F451 HydrophobicContact CE1-CZ 4.16Å; F401-F451 HydrophobicContact CZ-CZ 4.4Å
402	E	94.3	Very high	86.5	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	135.6	-178.1	-171.4	169.5	170.4	0	0	111.9	H175 F176 M179 L283 L284 L404 H423	H175-E402 IonicContact ND1-OE1 2.83Å; F176-E402 HydrophobicContact CD2-CB 3.76Å; F176-E402 HydrophobicContact CE2-CB 4.11Å; F176-E402 PolarHBondContact N-OE2 3.25Å; M179-E402 WeakPolarHBondContact CB-OE2 3.48Å; M179-E402 VanDerWaalsContact CG-OE1 3.23Å; M179-E402 WeakPolarHBondContact CG-OE1 3.45Å; L283-E402 WeakPolarHBondContact CA-O 3.36Å; L284-E402 PolarHBondContact N-O 2.84Å; L284-E402 PolarHBondContact O-N 2.89Å; E402-L404 HydrophobicContact CG-CD2 3.88Å; E402-L404 HydrophobicContact CG-CG 4.47Å; E402-H423 WeakPolarHBondContact OE1-CB 3.47Å
403	I	95.5	Very high	87.4	Confident	7 Å²	7	26.1 Å²	26.1	4%	0.036	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	100.9	177.8	-53	176.2	0	0	0	108.7	W154 L283 P425 F427 M441 L442 T445	W154-I403 HydrophobicContact CH2-CD1 3.89Å; W154-I403 HydrophobicContact CZ2-CD1 4.49Å; L283-I403 HydrophobicContact CD1-CG1 4.31Å; I403-P425 HydrophobicContact CG2-CG 4.35Å; I403-P425 WeakPolarHBondContact O-CD 3.45Å; I403-F427 HydrophobicContact CB-CZ 4.32Å; I403-F427 HydrophobicContact CD1-CE1 4.21Å; I403-F427 HydrophobicContact CD1-CZ 4.15Å; I403-F427 HydrophobicContact CG2-CE1 4.3Å; I403-F427 HydrophobicContact CG2-CZ 4.44Å; I403-M441 HydrophobicContact CD1-CE 4.47Å; I403-M441 HydrophobicContact CG2-CE 4.36Å; I403-M441 HydrophobicContact CG2-SD 3.97Å; I403-L442 HydrophobicContact CD1-CD2 3.87Å; I403-T445 HydrophobicContact CD1-CG2 3.94Å; I403-T445 HydrophobicContact CG1-CG2 4.04Å
404	L	95.2	Very high	88.5	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126	178	-58.4	178.4	0	0	0	110.6	M179 I182 V282 E402 F406 V421	M179-L404 HydrophobicContact CE-CD1 4.44Å; M179-L404 HydrophobicContact CG-CD2 3.94Å; M179-L404 HydrophobicContact SD-CD1 4.27Å; M179-L404 HydrophobicContact SD-CD2 4.35Å; I182-L404 HydrophobicContact CD1-CD1 4.13Å; V282-L404 HydrophobicContact CB-CB 4.39Å; V282-L404 PolarHBondContact N-O 3.44Å; V282-L404 PolarHBondContact O-N 3.26Å; E402-L404 HydrophobicContact CG-CD2 3.88Å; E402-L404 HydrophobicContact CG-CG 4.47Å; L404-F406 HydrophobicContact CB-CD2 3.97Å; L404-F406 HydrophobicContact CB-CE2 3.72Å; L404-F406 HydrophobicContact CD1-CE2 3.9Å; L404-F406 HydrophobicContact CD1-CZ 4.49Å; L404-F406 HydrophobicContact CG-CE2 4.48Å; L404-V421 HydrophobicContact CB-CG1 4.05Å; L404-V421 HydrophobicContact CD1-CG1 4.39Å; L404-V421 HydrophobicContact CD2-CG1 4.39Å
405	G	95	Very high	89.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	104.2	167.4	0	0	0	0	0	110.6	N422	G405-N422 PolarHBondContact N-O 2.93Å; G405-N422 WeakPolarHBondContact O-CB 3.5Å; G405-N422 PolarHBondContact O-N 2.92Å
406	F	95.8	Very high	91	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.3	174.2	-83.5	-108.2	0	0	0	110.4	R279 I280 V282 I372 T375 L404 I408 V418 V421	R279-F406 WeakPolarHBondContact CA-O 3.41Å; I280-F406 PolarHBondContact N-O 2.98Å; I280-F406 PolarHBondContact O-N 2.83Å; V282-F406 HydrophobicContact CB-CD2 3.85Å; V282-F406 HydrophobicContact CB-CE2 3.82Å; V282-F406 HydrophobicContact CG1-CE2 4.24Å; V282-F406 HydrophobicContact CG2-CD2 3.38Å; V282-F406 HydrophobicContact CG2-CE2 3.71Å; V282-F406 HydrophobicContact CG2-CG 4.11Å; I372-F406 HydrophobicContact CB-CE1 4.36Å; I372-F406 HydrophobicContact CG1-CD1 4.03Å; I372-F406 HydrophobicContact CG1-CE1 4.16Å; I372-F406 HydrophobicContact CG1-CG 4.39Å; I372-F406 HydrophobicContact CG2-CE1 4.27Å; I372-F406 HydrophobicContact CG2-CE2 4.29Å; I372-F406 HydrophobicContact CG2-CZ 3.99Å; T375-F406 HydrophobicContact CG2-CE1 3.87Å; T375-F406 HydrophobicContact CG2-CZ 4.42Å; L404-F406 HydrophobicContact CB-CD2 3.97Å; L404-F406 HydrophobicContact CB-CE2 3.72Å; L404-F406 HydrophobicContact CD1-CE2 3.9Å; L404-F406 HydrophobicContact CD1-CZ 4.49Å; L404-F406 HydrophobicContact CG-CE2 4.48Å; F406-I408 HydrophobicContact CB-CG1 4.46Å; F406-V418 HydrophobicContact CD1-CG2 4.24Å; F406-V421 HydrophobicContact CD1-CG2 3.9Å; F406-V421 HydrophobicContact CD2-CG1 3.95Å; F406-V421 HydrophobicContact CE1-CG1 4.39Å; F406-V421 HydrophobicContact CE1-CG2 3.71Å; F406-V421 HydrophobicContact CE2-CG1 3.76Å; F406-V421 HydrophobicContact CG-CG1 4.35Å; F406-V421 HydrophobicContact CG-CG2 4.4Å; F406-V421 HydrophobicContact CZ-CG1 4Å; F406-V421 HydrophobicContact CZ-CG2 4.07Å
407	D	94.8	Very high	92.5	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.1	174	-71.3	48.5	0	0	0	108.5	L278 R279 R301 L419 E420 N422	L278-D407 WeakPolarHBondContact O-CA 3.38Å; R279-D407 IonicContact CZ-OD1 3.47Å; R279-D407 IonicContact CZ-OD2 3.78Å; R279-D407 IonicContact NE-OD1 3.34Å; R279-D407 PolarHBondContact NE-OD1 3.16Å; R279-D407 IonicContact NE-OD2 3.2Å; R279-D407 IonicContact NH2-OD1 3.48Å; R279-D407 PolarHBondContact NH2-OD1 2.93Å; R279-D407 IonicContact NH2-OD2 2.79Å; R279-D407 PolarHBondContact NH2-OD2 3.27Å; R301-D407 IonicContact CZ-OD2 2.95Å; R301-D407 VanDerWaalsContact CZ-OD2 3.31Å; R301-D407 IonicContact NH1-OD2 2.87Å; R301-D407 PolarHBondContact NH1-OD2 2.9Å; R301-D407 IonicContact NH2-OD1 3.47Å; R301-D407 IonicContact NH2-OD2 3.2Å; R301-D407 PolarHBondContact NH2-OD2 2.93Å; D407-L419 HydrophobicContact CB-CB 4.35Å; D407-L419 WeakPolarHBondContact O-CB 3.27Å; D407-L419 PolarHBondContact O-N 3.24Å; D407-E420 HydrophobicContact CB-CG 3.78Å; D407-E420 PolarHBondContact N-O 3.36Å; D407-N422 PolarHBondContact OD1-ND2 3.45Å; D407-N422 VanDerWaalsContact OD1-ND2 3.13Å
408	I	95.9	Very high	93.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.2	-176.3	-61.3	-170.4	0	0	0	110.8	L278 I280 I368 V371 I372 F406 P416 Y417	L278-I408 HydrophobicContact CB-CB 4.45Å; L278-I408 PolarHBondContact N-O 2.89Å; L278-I408 PolarHBondContact O-N 2.94Å; I280-I408 HydrophobicContact CD1-CD1 4.03Å; I368-I408 HydrophobicContact CG2-CD1 4.29Å; V371-I408 HydrophobicContact CG1-CD1 4.32Å; I372-I408 HydrophobicContact CG1-CD1 4.37Å; F406-I408 HydrophobicContact CB-CG1 4.46Å; I408-P416 HydrophobicContact CG2-CB 3.56Å; I408-Y417 WeakPolarHBondContact CA-O 3.32Å
409	L	95.4	Very high	93.9	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.2	175.8	173.3	62	0	0	0	110.4	I265 P268 F276 Y417 L419	I265-L409 HydrophobicContact CB-CD2 4.32Å; I265-L409 HydrophobicContact CD1-CD2 4.11Å; I265-L409 HydrophobicContact CD1-CG 4.41Å; P268-L409 HydrophobicContact CB-CD1 4Å; F276-L409 WeakPolarHBondContact O-CD1 3.48Å; L409-Y417 PolarHBondContact N-O 2.68Å; L409-Y417 PolarHBondContact O-N 3.44Å; L409-L419 HydrophobicContact CB-CD1 3.74Å; L409-L419 HydrophobicContact CB-CD2 4.13Å; L409-L419 HydrophobicContact CB-CG 3.93Å; L409-L419 HydrophobicContact CD2-CD1 4.18Å; L409-L419 HydrophobicContact CD2-CD2 4.32Å
410	F	95.2	Very high	94.1	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	144.2	171.5	-64.1	-61.3	0	0	0	111.8	P268 F269 F276 L278 F354 I364 I368 L414 K415 P416	P268-F410 CarbonylContact C-O 3.48Å; P268-F410 VanDerWaalsContact CA-O 3.26Å; P268-F410 WeakPolarHBondContact CA-O 3.27Å; F269-F410 HydrophobicContact CB-CB 3.72Å; F269-F410 PolarHBondContact N-O 3.37Å; F276-F410 AromaticContact CE2-CD2 3.87Å; F276-F410 HydrophobicContact CE2-CD2 3.87Å; F276-F410 HydrophobicContact CE2-CE2 4.24Å; F276-F410 AromaticContact CZ-CD2 3.92Å; F276-F410 HydrophobicContact CZ-CD2 3.92Å; L278-F410 HydrophobicContact CD1-CE2 3.69Å; L278-F410 HydrophobicContact CD1-CZ 3.83Å; L278-F410 HydrophobicContact CG-CE2 4.32Å; F354-F410 HydrophobicContact CE2-CE2 4.05Å; F354-F410 HydrophobicContact CE2-CZ 4.44Å; F354-F410 HydrophobicContact CZ-CD2 4.31Å; F354-F410 AromaticContact CZ-CE2 3.77Å; F354-F410 HydrophobicContact CZ-CE2 3.77Å; F354-F410 HydrophobicContact CZ-CZ 4.39Å; I364-F410 HydrophobicContact CG2-CE1 3.97Å; I364-F410 HydrophobicContact CG2-CZ 3.59Å; I368-F410 HydrophobicContact CD1-CE1 4.34Å; I368-F410 HydrophobicContact CD1-CZ 4.01Å; I368-F410 HydrophobicContact CG1-CE1 4.48Å; F410-L414 HydrophobicContact CB-CD2 4.46Å; F410-L414 VanDerWaalsContact CD1-O 3.25Å; F410-L414 WeakPolarHBondContact CD1-O 3.4Å; F410-L414 HydrophobicContact CD2-CD2 4.33Å; F410-L414 HydrophobicContact CG-CD2 4.23Å; F410-K415 WeakPolarHBondContact CA-O 3.15Å; F410-P416 HydrophobicContact CD1-CB 4.1Å; F410-P416 HydrophobicContact CE1-CB 4.02Å; F410-P416 HydrophobicContact CE1-CG 4.49Å
411	N	93.5	Very high	94.2	Very high	19 Å²	19	25 Å²	25	10%	0.102	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-85	170.8	160.2	76	6.7	0	0	0	111.3	I265 R267 R413 L414 K415 Y417	I265-N411 HydrophobicContact CG2-CB 4.25Å; R267-N411 WeakPolarHBondContact O-CA 3.42Å; N411-R413 PolarHBondContact O-N 2.92Å; N411-R413 WeakPolarHBondContact OD1-CA 3.17Å; N411-R413 WeakPolarHBondContact OD1-CB 3.44Å; N411-R413 PolarHBondContact OD1-N 2.75Å; N411-L414 WeakPolarHBondContact O-CA 3.35Å; N411-L414 PolarHBondContact O-N 2.95Å; N411-L414 PolarHBondContact OD1-N 3.33Å; N411-K415 PolarHBondContact N-O 3.34Å; N411-K415 PolarHBondContact OD1-N 3.49Å; N411-Y417 HydrophobicContact CB-CD2 4.47Å; N411-Y417 HydrophobicContact CB-CE2 4.17Å
412	H	92.7	Very high	94.2	Very high	105 Å²	105	26.6 Å²	26.6	49%	0.486	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-0.6	174	66.8	-76.2	0	0	0	116.7	R267	R267-H412 HydrophobicContact CB-CB 4.12Å; R267-H412 VanDerWaalsContact CB-ND1 3.3Å; R267-H412 WeakPolarHBondContact CB-ND1 3.19Å; R267-H412 PolarHBondContact O-N 3.12Å; R267-H412 PolarHBondContact O-ND1 3.15Å
413	R	92.5	Very high	93.8	Very high	203 Å²	203	29.3 Å²	29.3	77%	0.766	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	17.2	172.2	-61.5	-178.4	57.2	-162.3	-6.4	112.2	N411 K415	N411-R413 PolarHBondContact O-N 2.92Å; N411-R413 WeakPolarHBondContact OD1-CA 3.17Å; N411-R413 WeakPolarHBondContact OD1-CB 3.44Å; N411-R413 PolarHBondContact OD1-N 2.75Å; R413-K415 PolarHBondContact O-N 3.32Å; R413-K415 VanDerWaalsContact O-N 3.1Å
414	L	92.4	Very high	93.2	Very high	21 Å²	21	30.3 Å²	30.3	11%	0.11	14%	0.137	C	C	.	.			trans	55.4	17.1	-171.9	-70.7	169.3	0	0	0	115.3	F269 F354 Y359 I364 F410 N411 P416	F269-L414 HydrophobicContact CB-CD2 4.21Å; F269-L414 HydrophobicContact CD1-CD2 3.79Å; F269-L414 HydrophobicContact CD2-CD2 3.55Å; F269-L414 HydrophobicContact CD2-CG 3.83Å; F269-L414 HydrophobicContact CE1-CD2 4Å; F269-L414 HydrophobicContact CE2-CD1 4.24Å; F269-L414 HydrophobicContact CE2-CD2 3.76Å; F269-L414 HydrophobicContact CE2-CG 3.88Å; F269-L414 HydrophobicContact CG-CD2 3.57Å; F269-L414 HydrophobicContact CG-CG 4.35Å; F269-L414 HydrophobicContact CZ-CD2 3.99Å; F269-L414 HydrophobicContact CZ-CG 4.43Å; F354-L414 HydrophobicContact CE1-CD1 4.46Å; F354-L414 HydrophobicContact CE1-CD2 3.67Å; F354-L414 HydrophobicContact CZ-CD2 3.89Å; Y359-L414 HydrophobicContact CD1-CD1 3.36Å; Y359-L414 HydrophobicContact CE1-CD1 3.56Å; Y359-L414 HydrophobicContact CG-CD1 3.92Å; I364-L414 HydrophobicContact CD1-CD1 4.15Å; F410-L414 HydrophobicContact CB-CD2 4.46Å; F410-L414 VanDerWaalsContact CD1-O 3.25Å; F410-L414 WeakPolarHBondContact CD1-O 3.4Å; F410-L414 HydrophobicContact CD2-CD2 4.33Å; F410-L414 HydrophobicContact CG-CD2 4.23Å; N411-L414 WeakPolarHBondContact O-CA 3.35Å; N411-L414 PolarHBondContact O-N 2.95Å; N411-L414 PolarHBondContact OD1-N 3.33Å; L414-P416 VanDerWaalsContact O-CD 3.31Å; L414-P416 WeakPolarHBondContact O-CD 3.27Å
415	K	93.8	Very high	92.8	Very high	59 Å²	59	30.4 Å²	30.4	26%	0.257	14%	0.138	S	C	.	.			trans	-74.4	123.2	173.6	-167.6	-179.5	-173.5	-178	0	109.9	N204 F410 N411 R413 Y417	N204-K415 WeakPolarHBondContact O-CE 3.3Å; N204-K415 PolarHBondContact O-NZ 3.16Å; F410-K415 WeakPolarHBondContact CA-O 3.15Å; N411-K415 PolarHBondContact N-O 3.34Å; N411-K415 PolarHBondContact OD1-N 3.49Å; R413-K415 PolarHBondContact O-N 3.32Å; R413-K415 VanDerWaalsContact O-N 3.1Å; K415-Y417 HydrophobicContact CB-CE2 4.26Å; K415-Y417 HydrophobicContact CD-CE2 4.25Å; K415-Y417 HydrophobicContact CG-CE2 4.31Å; K415-Y417 WeakPolarHBondContact O-CD2 3.06Å
416	P	95.8	Very high	92.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.8	173.8	26.4	-31.7	0	0	0	112	D367 I368 V371 I408 F410 L414	D367-P416 HydrophobicContact CB-CG 3.87Å; D367-P416 WeakPolarHBondContact O-CG 3.32Å; I368-P416 HydrophobicContact CG1-CB 4.16Å; I368-P416 HydrophobicContact CG1-CG 4.25Å; V371-P416 HydrophobicContact CG2-CB 4.27Å; V371-P416 HydrophobicContact CG2-CG 3.9Å; I408-P416 HydrophobicContact CG2-CB 3.56Å; F410-P416 HydrophobicContact CD1-CB 4.1Å; F410-P416 HydrophobicContact CE1-CB 4.02Å; F410-P416 HydrophobicContact CE1-CG 4.49Å; L414-P416 VanDerWaalsContact O-CD 3.31Å; L414-P416 WeakPolarHBondContact O-CD 3.27Å
417	Y	95.4	Very high	92	Very high	33 Å²	33	33.3 Å²	33.3	13%	0.129	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.5	168.7	-75.5	-91.1	0	0	0	109.9	I205 P207 I265 I408 L409 N411 K415	I205-Y417 VanDerWaalsContact O-CA 3.32Å; I205-Y417 WeakPolarHBondContact O-CA 3.36Å; P207-Y417 HydrophobicContact CG-CD1 4.24Å; I265-Y417 HydrophobicContact CD1-CD2 3.89Å; I265-Y417 HydrophobicContact CD1-CG 3.83Å; I408-Y417 WeakPolarHBondContact CA-O 3.32Å; L409-Y417 PolarHBondContact N-O 2.68Å; L409-Y417 PolarHBondContact O-N 3.44Å; N411-Y417 HydrophobicContact CB-CD2 4.47Å; N411-Y417 HydrophobicContact CB-CE2 4.17Å; K415-Y417 HydrophobicContact CB-CE2 4.26Å; K415-Y417 HydrophobicContact CD-CE2 4.25Å; K415-Y417 HydrophobicContact CG-CE2 4.31Å; K415-Y417 WeakPolarHBondContact O-CD2 3.06Å
418	V	95	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.9	171	67.3	0	0	0	0	110.1	L192 I205 F206 V371 F406 V421	L192-V418 HydrophobicContact CD1-CG1 4.02Å; I205-V418 PolarHBondContact O-N 3.26Å; F206-V418 HydrophobicContact CD2-CG1 3.77Å; F206-V418 VanDerWaalsContact CD2-O 3.27Å; F206-V418 WeakPolarHBondContact CD2-O 3.39Å; F206-V418 HydrophobicContact CE2-CG1 4.49Å; V371-V418 HydrophobicContact CG1-CB 4.03Å; V371-V418 HydrophobicContact CG1-CG1 4.47Å; F406-V418 HydrophobicContact CD1-CG2 4.24Å; V418-V421 HydrophobicContact CG2-CG2 4.1Å
419	L	92.2	Very high	91.3	Very high	31 Å²	31	37.6 Å²	37.6	16%	0.162	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-40.6	179.4	-64.5	-172.7	0	0	0	112.7	K234 D407 L409	K234-L419 PolarHBondContact NZ-O 2.9Å; D407-L419 HydrophobicContact CB-CB 4.35Å; D407-L419 WeakPolarHBondContact O-CB 3.27Å; D407-L419 PolarHBondContact O-N 3.24Å; L409-L419 HydrophobicContact CB-CD1 3.74Å; L409-L419 HydrophobicContact CB-CD2 4.13Å; L409-L419 HydrophobicContact CB-CG 3.93Å; L409-L419 HydrophobicContact CD2-CD1 4.18Å; L409-L419 HydrophobicContact CD2-CD2 4.32Å
420	E	91.8	Very high	90.8	Very high	22 Å²	22	41.4 Å²	41.4	10%	0.103	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	161.7	173.8	54.1	180	-122.2	0	0	109.9	K185 D407 N422	K185-E420 WeakPolarHBondContact CE-OE2 3.45Å; K185-E420 IonicContact NZ-OE1 2.68Å; K185-E420 IonicContact NZ-OE2 2.89Å; K185-E420 PolarHBondContact NZ-OE2 3.42Å; D407-E420 HydrophobicContact CB-CG 3.78Å; D407-E420 PolarHBondContact N-O 3.36Å; E420-N422 PolarHBondContact OE1-ND2 3.07Å
421	V	93.6	Very high	90.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132	169.7	-170.9	0	0	0	0	108	I182 C183 L188 T375 L404 F406 V418	I182-V421 HydrophobicContact CD1-CG1 4.28Å; C183-V421 WeakPolarHBondContact CA-O 3.4Å; L188-V421 HydrophobicContact CD2-CG2 4.33Å; T375-V421 HydrophobicContact CG2-CG2 3.91Å; L404-V421 HydrophobicContact CB-CG1 4.05Å; L404-V421 HydrophobicContact CD1-CG1 4.39Å; L404-V421 HydrophobicContact CD2-CG1 4.39Å; F406-V421 HydrophobicContact CD1-CG2 3.9Å; F406-V421 HydrophobicContact CD2-CG1 3.95Å; F406-V421 HydrophobicContact CE1-CG1 4.39Å; F406-V421 HydrophobicContact CE1-CG2 3.71Å; F406-V421 HydrophobicContact CE2-CG1 3.76Å; F406-V421 HydrophobicContact CG-CG1 4.35Å; F406-V421 HydrophobicContact CG-CG2 4.4Å; F406-V421 HydrophobicContact CZ-CG1 4Å; F406-V421 HydrophobicContact CZ-CG2 4.07Å; V418-V421 HydrophobicContact CG2-CG2 4.1Å
422	N	91.8	Very high	90	Very high	39 Å²	39	48.5 Å²	48.5	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.8	-175	-76.3	-76	0	0	0	110.4	G405 D407 E420 S424	G405-N422 PolarHBondContact N-O 2.93Å; G405-N422 WeakPolarHBondContact O-CB 3.5Å; G405-N422 PolarHBondContact O-N 2.92Å; D407-N422 PolarHBondContact OD1-ND2 3.45Å; D407-N422 VanDerWaalsContact OD1-ND2 3.13Å; E420-N422 PolarHBondContact OE1-ND2 3.07Å; N422-S424 PolarHBondContact O-N 3.33Å
423	H	87.4	Confident	89.7	Confident	57 Å²	57	44.1 Å²	44.1	26%	0.264	22%	0.217	S	C	.	.	S	Bend	trans	-64.3	-22.2	177.3	65.3	-82.3	0	0	0	114.4	H175 C183 E402	H175-H423 AromaticContact CE1-CD2 3.9Å; H175-H423 PolarHBondContact CE1-O 3.23Å; H175-H423 AromaticContact ND1-CD2 3.99Å; C183-H423 HydrophobicContact CB-CB 3.73Å; E402-H423 WeakPolarHBondContact OE1-CB 3.47Å
424	S	82.5	Confident	89.6	Confident	28 Å²	28	34.7 Å²	34.7	20%	0.196	18%	0.182	C	C	.	.	S	Bend	trans	-134.7	81.3	175.8	168.8	0	0	0	0	108.9	D156 N422	D156-S424 VanDerWaalsContact O-CB 3.24Å; D156-S424 WeakPolarHBondContact O-CB 3.12Å; D156-S424 PolarHBondContact O-OG 3.43Å; D156-S424 VanDerWaalsContact O-OG 3.07Å; N422-S424 PolarHBondContact O-N 3.33Å
425	P	86.6	Confident	89.5	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.019	19%	0.194	C	C	.	.			trans	-63.3	157.7	175.5	26.9	-32	0	0	0	111.3	Y281 I403 F427	Y281-P425 HydrophobicContact CD1-CG 4.45Å; Y281-P425 HydrophobicContact CE1-CB 4.13Å; Y281-P425 HydrophobicContact CE1-CG 4.39Å; I403-P425 HydrophobicContact CG2-CG 4.35Å; I403-P425 WeakPolarHBondContact O-CD 3.45Å; P425-F427 HydrophobicContact CG-CE1 3.81Å; P425-F427 HydrophobicContact CG-CZ 3.74Å; P425-F427 PolarHBondContact O-N 2.9Å; P425-F427 VanDerWaalsContact O-N 3.1Å
426	S	85.6	Confident	89.3	Confident	57 Å²	57	36.1 Å²	36.1	40%	0.399	19%	0.188	S	C	.	.			trans	-77.2	100	-177	-170.5	0	0	0	0	111.5	T428 K438	S426-T428 PolarHBondContact O-N 3.48Å; S426-T428 PolarHBondContact OG-OG1 3.31Å; S426-K438 WeakPolarHBondContact O-CE 3.41Å; S426-K438 PolarHBondContact O-NZ 3.21Å
427	F	88.3	Confident	89.1	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.022	19%	0.188	C	C	.	.			trans	-74.4	2.1	176.6	-53.1	-65.4	0	0	0	114.2	Y129 S131 V132 W154 I403 P425 T429 M441 L442	Y129-F427 HydrophobicContact CD1-CB 3.98Å; Y129-F427 HydrophobicContact CD2-CB 3.99Å; Y129-F427 AromaticContact CD2-CD2 3.61Å; Y129-F427 HydrophobicContact CD2-CD2 3.61Å; Y129-F427 HydrophobicContact CD2-CG 4.3Å; Y129-F427 HydrophobicContact CE1-CB 4.43Å; Y129-F427 HydrophobicContact CE2-CB 4.4Å; Y129-F427 AromaticContact CE2-CD2 3.68Å; Y129-F427 HydrophobicContact CE2-CD2 3.68Å; Y129-F427 HydrophobicContact CE2-CE2 4.49Å; Y129-F427 HydrophobicContact CE2-CG 4.48Å; Y129-F427 HydrophobicContact CG-CB 3.73Å; Y129-F427 HydrophobicContact CG-CD2 4.25Å; S131-F427 PolarHBondContact OG-O 3.03Å; V132-F427 HydrophobicContact CG2-CB 4.4Å; V132-F427 HydrophobicContact CG2-CD2 4.22Å; V132-F427 HydrophobicContact CG2-CG 4.41Å; W154-F427 AromaticContact CZ2-CE2 3.95Å; W154-F427 HydrophobicContact CZ2-CE2 3.95Å; W154-F427 HydrophobicContact CZ2-CZ 4.2Å; I403-F427 HydrophobicContact CB-CZ 4.32Å; I403-F427 HydrophobicContact CD1-CE1 4.21Å; I403-F427 HydrophobicContact CD1-CZ 4.15Å; I403-F427 HydrophobicContact CG2-CE1 4.3Å; I403-F427 HydrophobicContact CG2-CZ 4.44Å; P425-F427 HydrophobicContact CG-CE1 3.81Å; P425-F427 HydrophobicContact CG-CZ 3.74Å; P425-F427 PolarHBondContact O-N 2.9Å; P425-F427 VanDerWaalsContact O-N 3.1Å; F427-T429 PolarHBondContact O-N 2.87Å; F427-M441 HydrophobicContact CD1-CE 3.74Å; F427-M441 HydrophobicContact CE1-CE 3.52Å; F427-L442 HydrophobicContact CD1-CD1 4.46Å; F427-L442 HydrophobicContact CD1-CD2 4.21Å; F427-L442 HydrophobicContact CE1-CD2 4.13Å
428	T	88.8	Confident	88.9	Confident	53 Å²	53	34.9 Å²	34.9	33%	0.325	18%	0.183	S	C	.	.			trans	-54.3	135	174.2	-46.6	0	0	0	0	112.2	Y129 S426 D430 K438	Y129-T428 WeakPolarHBondContact CE1-OG1 3.33Å; S426-T428 PolarHBondContact O-N 3.48Å; S426-T428 PolarHBondContact OG-OG1 3.31Å; T428-D430 WeakPolarHBondContact CG2-OD1 3.3Å; T428-K438 PolarHBondContact O-NZ 3.23Å
429	T	86.5	Confident	88.8	Confident	41 Å²	41	35.2 Å²	35.2	25%	0.252	19%	0.185	S	C	.	.			trans	-108.8	73.3	-178.1	57.8	0	0	0	0	110.7	R134 F427 S431 K435 K438	R134-T429 PolarHBondContact NH2-OG1 3.31Å; F427-T429 PolarHBondContact O-N 2.87Å; T429-S431 VanDerWaalsContact C-N 3.32Å; T429-K435 HydrophobicContact CG2-CB 4.25Å; T429-K435 HydrophobicContact CG2-CG 4.46Å; T429-K438 HydrophobicContact CG2-CD 4.49Å
430	D	85.2	Confident	88.9	Confident	88 Å²	88	33.8 Å²	33.8	47%	0.471	18%	0.177	S	C	.	.			trans	-75.6	-17.6	-178.8	-70.4	-21.3	0	0	0	113.4	Y325 T428	Y325-D430 WeakPolarHBondContact CE1-OD2 3.47Å; Y325-D430 PolarHBondContact OH-OD2 3.27Å; T428-D430 WeakPolarHBondContact CG2-OD1 3.3Å
431	S	84.9	Confident	88.9	Confident	19 Å²	19	32.7 Å²	32.7	13%	0.133	17%	0.172	C	C	.	.	S	Bend	trans	-140	166.5	177.3	64.6	0	0	0	0	112.2	D337 T429 L433 D434 K435	D337-S431 WeakPolarHBondContact OD1-CB 3.19Å; T429-S431 VanDerWaalsContact C-N 3.32Å; S431-L433 VanDerWaalsContact C-N 3.27Å; S431-L433 PolarHBondContact O-N 2.76Å; S431-D434 PolarHBondContact O-N 2.79Å; S431-D434 PolarHBondContact OG-N 2.7Å; S431-D434 PolarHBondContact OG-OD2 3.23Å; S431-K435 PolarHBondContact O-N 3.19Å
432	K	86.7	Confident	88.9	Confident	150 Å²	150	32.7 Å²	32.7	65%	0.652	17%	0.172	S	C	*	.	H	α-helix	trans	-56	-43.7	174.3	-168.6	179.7	-172.1	-84.7	0	111.4	D434 K435 E436	K432-D434 PolarHBondContact O-N 3.1Å; K432-K435 WeakPolarHBondContact O-CB 3.06Å; K432-K435 PolarHBondContact O-N 3.36Å; K432-K435 VanDerWaalsContact O-N 3.09Å; K432-E436 WeakPolarHBondContact CE-OE1 3.43Å; K432-E436 WeakPolarHBondContact CG-OE1 3.08Å; K432-E436 IonicContact NZ-OE1 2.93Å; K432-E436 PolarHBondContact NZ-OE1 3.11Å; K432-E436 PolarHBondContact O-N 2.87Å
433	L	87.6	Confident	88.9	Confident	13 Å²	13	33.2 Å²	33.2	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-56.7	-46.5	174.6	-163.7	103.3	0	0	0	112.9	L299 K344 R346 S431 I437	L299-L433 HydrophobicContact CD2-CD2 3.85Å; K344-L433 HydrophobicContact CB-CD2 4.49Å; K344-L433 HydrophobicContact CD-CD2 3.82Å; K344-L433 HydrophobicContact CG-CD2 3.75Å; R346-L433 HydrophobicContact CG-CD1 3.51Å; R346-L433 HydrophobicContact CG-CG 4.29Å; S431-L433 VanDerWaalsContact C-N 3.27Å; S431-L433 PolarHBondContact O-N 2.76Å; L433-I437 HydrophobicContact CG-CD1 4.34Å; L433-I437 PolarHBondContact O-N 2.84Å
434	D	89.1	Confident	89.2	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.027	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-37.1	174.4	-82.6	-68.2	0	0	0	111.7	L299 K344 S431 K432 K438	L299-D434 VanDerWaalsContact CD1-OD1 3.28Å; L299-D434 WeakPolarHBondContact CD1-OD1 3.31Å; K344-D434 IonicContact NZ-OD2 2.7Å; K344-D434 PolarHBondContact NZ-OD2 3.15Å; S431-D434 PolarHBondContact O-N 2.79Å; S431-D434 PolarHBondContact OG-N 2.7Å; S431-D434 PolarHBondContact OG-OD2 3.23Å; K432-D434 PolarHBondContact O-N 3.1Å; D434-K438 HydrophobicContact CB-CD 4.31Å; D434-K438 WeakPolarHBondContact O-CB 3.37Å; D434-K438 VanDerWaalsContact O-CD 3.26Å; D434-K438 WeakPolarHBondContact O-CD 3.46Å; D434-K438 WeakPolarHBondContact O-CG 3.39Å; D434-K438 PolarHBondContact O-N 3.16Å; D434-K438 WeakPolarHBondContact OD1-CE 3.15Å; D434-K438 IonicContact OD1-NZ 2.69Å; D434-K438 PolarHBondContact OD1-NZ 3.16Å
435	K	90.1	Very high	89.6	Confident	83 Å²	83	29.4 Å²	29.4	36%	0.361	15%	0.15	S	C	.	.	H	α-helix	trans	-62.2	-55.7	179.4	-169.9	-164	173.3	-166.4	0	111.2	T429 S431 K432 K438 E439	T429-K435 HydrophobicContact CG2-CB 4.25Å; T429-K435 HydrophobicContact CG2-CG 4.46Å; S431-K435 PolarHBondContact O-N 3.19Å; K432-K435 WeakPolarHBondContact O-CB 3.06Å; K432-K435 PolarHBondContact O-N 3.36Å; K432-K435 VanDerWaalsContact O-N 3.09Å; K435-K438 PolarHBondContact O-N 3.08Å; K435-E439 VanDerWaalsContact CE-OE1 3.22Å; K435-E439 WeakPolarHBondContact CE-OE1 3.22Å; K435-E439 WeakPolarHBondContact CE-OE2 3.23Å; K435-E439 HydrophobicContact CG-CG 4.28Å; K435-E439 VanDerWaalsContact CG-OE1 3.23Å; K435-E439 WeakPolarHBondContact CG-OE1 3.37Å; K435-E439 WeakPolarHBondContact O-CB 3.26Å; K435-E439 WeakPolarHBondContact O-CG 3.47Å; K435-E439 PolarHBondContact O-N 2.79Å
436	E	90.1	Very high	89.8	Confident	28 Å²	28	29.3 Å²	29.3	13%	0.131	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-54.8	-176	-73.7	174.6	-150	0	0	112.1	L64 L66 R346 K432 K438 A440	L64-E436 HydrophobicContact CD2-CB 4.19Å; L66-E436 HydrophobicContact CD2-CB 3.84Å; L66-E436 HydrophobicContact CD2-CG 3.96Å; R346-E436 IonicContact CZ-OE2 3.93Å; R346-E436 IonicContact NH1-OE2 3.9Å; R346-E436 PolarHBondContact NH1-OE2 3.21Å; R346-E436 IonicContact NH2-OE1 2.71Å; R346-E436 IonicContact NH2-OE2 3.14Å; R346-E436 PolarHBondContact NH2-OE2 3.31Å; K432-E436 WeakPolarHBondContact CE-OE1 3.43Å; K432-E436 WeakPolarHBondContact CG-OE1 3.08Å; K432-E436 IonicContact NZ-OE1 2.93Å; K432-E436 PolarHBondContact NZ-OE1 3.11Å; K432-E436 PolarHBondContact O-N 2.87Å; E436-K438 VanDerWaalsContact C-N 3.31Å; E436-K438 PolarHBondContact O-N 3.36Å; E436-A440 VanDerWaalsContact O-CB 3.32Å; E436-A440 WeakPolarHBondContact O-CB 3.4Å; E436-A440 PolarHBondContact O-N 3.03Å
437	I	91.3	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-39.7	-177	-67.9	169.5	0	0	0	111.1	L64 Y281 F295 G298 L299 R346 L433 M441	L64-I437 HydrophobicContact CD2-CG1 4.09Å; Y281-I437 HydrophobicContact CE2-CG2 4Å; F295-I437 HydrophobicContact CE1-CG2 4.24Å; G298-I437 WeakPolarHBondContact O-CD1 3.17Å; L299-I437 HydrophobicContact CD2-CD1 3.75Å; R346-I437 HydrophobicContact CB-CD1 4.46Å; R346-I437 HydrophobicContact CG-CD1 4.16Å; L433-I437 HydrophobicContact CG-CD1 4.34Å; L433-I437 PolarHBondContact O-N 2.84Å; I437-M441 WeakPolarHBondContact O-CB 3.26Å; I437-M441 PolarHBondContact O-N 2.81Å; I437-M441 VanDerWaalsContact O-N 3.11Å
438	K	92.7	Very high	89.8	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-81.4	-37.1	-176.1	-64.2	169.5	-173.6	178.7	0	112.9	S426 T428 T429 D434 K435 E436 L442	S426-K438 WeakPolarHBondContact O-CE 3.41Å; S426-K438 PolarHBondContact O-NZ 3.21Å; T428-K438 PolarHBondContact O-NZ 3.23Å; T429-K438 HydrophobicContact CG2-CD 4.49Å; D434-K438 HydrophobicContact CB-CD 4.31Å; D434-K438 WeakPolarHBondContact O-CB 3.37Å; D434-K438 VanDerWaalsContact O-CD 3.26Å; D434-K438 WeakPolarHBondContact O-CD 3.46Å; D434-K438 WeakPolarHBondContact O-CG 3.39Å; D434-K438 PolarHBondContact O-N 3.16Å; D434-K438 WeakPolarHBondContact OD1-CE 3.15Å; D434-K438 IonicContact OD1-NZ 2.69Å; D434-K438 PolarHBondContact OD1-NZ 3.16Å; K435-K438 PolarHBondContact O-N 3.08Å; E436-K438 VanDerWaalsContact C-N 3.31Å; E436-K438 PolarHBondContact O-N 3.36Å; K438-L442 VanDerWaalsContact O-CB 3.26Å; K438-L442 WeakPolarHBondContact O-CB 3.21Å; K438-L442 WeakPolarHBondContact O-CD1 3.32Å; K438-L442 WeakPolarHBondContact O-CG 3.42Å; K438-L442 PolarHBondContact O-N 3.14Å
439	E	93	Very high	89.5	Confident	7 Å²	7	27.1 Å²	27.1	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-40.8	176	-71.5	-176.1	-163.4	0	0	111.1	P67 R134 V135 R138 K435 W443	P67-E439 HydrophobicContact CG-CB 4.42Å; R134-E439 IonicContact CZ-OE1 3.16Å; R134-E439 IonicContact NE-OE1 2.81Å; R134-E439 PolarHBondContact NE-OE1 2.85Å; R134-E439 IonicContact NH2-OE1 2.77Å; R134-E439 PolarHBondContact NH2-OE1 3.38Å; V135-E439 HydrophobicContact CG2-CB 3.96Å; V135-E439 HydrophobicContact CG2-CG 3.98Å; R138-E439 IonicContact CZ-OE2 2.82Å; R138-E439 IonicContact NH1-OE2 3.22Å; R138-E439 PolarHBondContact NH1-OE2 3.01Å; K435-E439 VanDerWaalsContact CE-OE1 3.22Å; K435-E439 WeakPolarHBondContact CE-OE1 3.22Å; K435-E439 WeakPolarHBondContact CE-OE2 3.23Å; K435-E439 HydrophobicContact CG-CG 4.28Å; K435-E439 VanDerWaalsContact CG-OE1 3.23Å; K435-E439 WeakPolarHBondContact CG-OE1 3.37Å; K435-E439 WeakPolarHBondContact O-CB 3.26Å; K435-E439 WeakPolarHBondContact O-CG 3.47Å; K435-E439 PolarHBondContact O-N 2.79Å; E439-W443 VanDerWaalsContact O-CB 3.26Å; E439-W443 WeakPolarHBondContact O-CB 3.43Å; E439-W443 PolarHBondContact O-N 3.22Å
440	A	92.3	Very high	89.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-50.6	173.1	0	0	0	0	0	112.4	L64 F295 E436 L442 W443 D444	L64-A440 HydrophobicContact CD1-CB 4.17Å; L64-A440 HydrophobicContact CD2-CB 4.38Å; L64-A440 HydrophobicContact CG-CB 4.31Å; F295-A440 HydrophobicContact CZ-CB 4.11Å; E436-A440 VanDerWaalsContact O-CB 3.32Å; E436-A440 WeakPolarHBondContact O-CB 3.4Å; E436-A440 PolarHBondContact O-N 3.03Å; A440-L442 PolarHBondContact O-N 3.36Å; A440-W443 WeakPolarHBondContact O-CB 3.08Å; A440-W443 PolarHBondContact O-N 3.38Å; A440-D444 PolarHBondContact O-N 3.1Å
441	M	93.7	Very high	88.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59	-42.4	177.4	174.8	-158.1	66.7	0	0	113	Y281 F295 I403 F427 I437 T445 F506	Y281-M441 VanDerWaalsContact CB-SD 3.5Å; Y281-M441 HydrophobicContact CD1-CE 4.41Å; Y281-M441 HydrophobicContact CD1-SD 3.49Å; Y281-M441 WeakPolarHBondContact CD1-SD 3.37Å; Y281-M441 HydrophobicContact CD2-SD 3.73Å; Y281-M441 HydrophobicContact CE1-SD 4.06Å; Y281-M441 HydrophobicContact CE2-SD 4.27Å; Y281-M441 HydrophobicContact CG-SD 3.28Å; F295-M441 HydrophobicContact CD1-CB 4.2Å; F295-M441 HydrophobicContact CD2-CB 3.99Å; F295-M441 HydrophobicContact CD2-CG 4.11Å; F295-M441 HydrophobicContact CE1-CB 3.92Å; F295-M441 HydrophobicContact CE2-CB 3.67Å; F295-M441 HydrophobicContact CE2-CG 4.27Å; F295-M441 HydrophobicContact CG-CB 4.26Å; F295-M441 HydrophobicContact CG-CG 4.27Å; F295-M441 HydrophobicContact CZ-CB 3.65Å; I403-M441 HydrophobicContact CD1-CE 4.47Å; I403-M441 HydrophobicContact CG2-CE 4.36Å; I403-M441 HydrophobicContact CG2-SD 3.97Å; F427-M441 HydrophobicContact CD1-CE 3.74Å; F427-M441 HydrophobicContact CE1-CE 3.52Å; I437-M441 WeakPolarHBondContact O-CB 3.26Å; I437-M441 PolarHBondContact O-N 2.81Å; I437-M441 VanDerWaalsContact O-N 3.11Å; M441-T445 VanDerWaalsContact O-CB 3.32Å; M441-T445 WeakPolarHBondContact O-CB 3.2Å; M441-T445 PolarHBondContact O-N 2.87Å; M441-T445 PolarHBondContact O-OG1 3.07Å; M441-F506 HydrophobicContact CG-CZ 4.05Å
442	L	93.4	Very high	88.1	Confident	2 Å²	2	28 Å²	28	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-39.4	177.3	-73.2	169	0	0	0	111.2	V132 V135 W154 I403 F427 K438 A440 T445 V446	V132-L442 HydrophobicContact CG2-CD1 3.86Å; V132-L442 HydrophobicContact CG2-CD2 4.21Å; V135-L442 HydrophobicContact CB-CB 4.25Å; V135-L442 HydrophobicContact CG1-CB 3.94Å; V135-L442 HydrophobicContact CG2-CB 4.07Å; W154-L442 HydrophobicContact CH2-CD2 3.52Å; W154-L442 HydrophobicContact CZ2-CD2 3.8Å; I403-L442 HydrophobicContact CD1-CD2 3.87Å; F427-L442 HydrophobicContact CD1-CD1 4.46Å; F427-L442 HydrophobicContact CD1-CD2 4.21Å; F427-L442 HydrophobicContact CE1-CD2 4.13Å; K438-L442 VanDerWaalsContact O-CB 3.26Å; K438-L442 WeakPolarHBondContact O-CB 3.21Å; K438-L442 WeakPolarHBondContact O-CD1 3.32Å; K438-L442 WeakPolarHBondContact O-CG 3.42Å; K438-L442 PolarHBondContact O-N 3.14Å; A440-L442 PolarHBondContact O-N 3.36Å; L442-T445 PolarHBondContact O-N 2.72Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.33Å; L442-V446 PolarHBondContact O-N 2.99Å
443	W	92	Very high	87.2	Confident	50 Å²	50	22.4 Å²	22.4	19%	0.189	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-53.8	177.1	176.1	-93.1	0	0	0	111.5	P67 V135 R138 F139 E439 A440 T445 V446 Q447	P67-W443 HydrophobicContact CB-CB 4.11Å; P67-W443 HydrophobicContact CB-CD2 3.86Å; P67-W443 HydrophobicContact CB-CE3 4.21Å; P67-W443 HydrophobicContact CB-CG 3.81Å; V135-W443 HydrophobicContact CG1-CB 4.13Å; V135-W443 HydrophobicContact CG1-CE3 4.4Å; R138-W443 HydrophobicContact CB-CZ3 3.95Å; F139-W443 HydrophobicContact CB-CZ3 4.13Å; F139-W443 HydrophobicContact CD2-CD2 4.43Å; F139-W443 HydrophobicContact CD2-CE3 4.06Å; F139-W443 HydrophobicContact CD2-CH2 4.07Å; F139-W443 HydrophobicContact CD2-CZ2 4.42Å; F139-W443 AromaticContact CD2-CZ3 3.88Å; F139-W443 HydrophobicContact CD2-CZ3 3.88Å; F139-W443 HydrophobicContact CG-CZ3 4.48Å; E439-W443 VanDerWaalsContact O-CB 3.26Å; E439-W443 WeakPolarHBondContact O-CB 3.43Å; E439-W443 PolarHBondContact O-N 3.22Å; A440-W443 WeakPolarHBondContact O-CB 3.08Å; A440-W443 PolarHBondContact O-N 3.38Å; W443-T445 VanDerWaalsContact C-N 3.26Å; W443-T445 PolarHBondContact O-N 3.28Å; W443-V446 PolarHBondContact O-N 3.11Å; W443-V446 VanDerWaalsContact O-N 3.09Å; W443-Q447 PolarHBondContact O-N 2.91Å
444	D	92.1	Very high	86.3	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-36.2	178.5	-65.5	-13.2	0	0	0	111.4	A440 Q447 L448 N505 F506	A440-D444 PolarHBondContact O-N 3.1Å; D444-Q447 PolarHBondContact O-N 3.32Å; D444-L448 WeakPolarHBondContact O-CB 3.49Å; D444-L448 PolarHBondContact O-N 2.89Å; D444-N505 WeakPolarHBondContact OD2-CB 3.26Å; D444-N505 PolarHBondContact OD2-N 3.39Å; D444-N505 PolarHBondContact OD2-ND2 2.96Å; D444-F506 HydrophobicContact CB-CD2 3.69Å; D444-F506 HydrophobicContact CB-CE2 3.65Å
445	T	92.2	Very high	85.4	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-43.7	174.8	-60.1	0	0	0	0	111.9	L283 F401 I403 M441 L442 W443 Q447 L448 A449 F506	L283-T445 HydrophobicContact CD1-CG2 3.69Å; L283-T445 HydrophobicContact CD2-CG2 3.9Å; L283-T445 HydrophobicContact CG-CG2 4.44Å; F401-T445 HydrophobicContact CD2-CG2 3.88Å; F401-T445 HydrophobicContact CE2-CG2 3.94Å; I403-T445 HydrophobicContact CD1-CG2 3.94Å; I403-T445 HydrophobicContact CG1-CG2 4.04Å; M441-T445 VanDerWaalsContact O-CB 3.32Å; M441-T445 WeakPolarHBondContact O-CB 3.2Å; M441-T445 PolarHBondContact O-N 2.87Å; M441-T445 PolarHBondContact O-OG1 3.07Å; L442-T445 PolarHBondContact O-N 2.72Å; W443-T445 VanDerWaalsContact C-N 3.26Å; W443-T445 PolarHBondContact O-N 3.28Å; T445-Q447 VanDerWaalsContact C-N 3.29Å; T445-Q447 PolarHBondContact O-N 3.26Å; T445-L448 PolarHBondContact O-N 3.29Å; T445-A449 VanDerWaalsContact O-CB 3.31Å; T445-A449 WeakPolarHBondContact O-CB 3.47Å; T445-A449 PolarHBondContact O-N 2.62Å; T445-F506 WeakPolarHBondContact OG1-CZ 3.42Å
446	V	89.7	Confident	84.7	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-32.3	179.2	171.6	0	0	0	0	111	L136 F139 F141 L442 W443 F451	L136-V446 HydrophobicContact CD2-CG1 4.25Å; L136-V446 HydrophobicContact CD2-CG2 3.72Å; F139-V446 HydrophobicContact CB-CG1 4.15Å; F139-V446 HydrophobicContact CD1-CG1 3.6Å; F139-V446 HydrophobicContact CD2-CB 4.37Å; F139-V446 HydrophobicContact CD2-CG1 3.66Å; F139-V446 HydrophobicContact CE1-CG1 3.79Å; F139-V446 HydrophobicContact CE2-CB 4.47Å; F139-V446 HydrophobicContact CE2-CG1 3.85Å; F139-V446 HydrophobicContact CG-CG1 3.53Å; F139-V446 HydrophobicContact CZ-CG1 3.91Å; F141-V446 HydrophobicContact CE2-CG1 3.77Å; F141-V446 HydrophobicContact CZ-CG1 4.46Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.33Å; L442-V446 PolarHBondContact O-N 2.99Å; W443-V446 PolarHBondContact O-N 3.11Å; W443-V446 VanDerWaalsContact O-N 3.09Å; V446-F451 HydrophobicContact CG1-CD2 4.33Å; V446-F451 HydrophobicContact CG1-CE2 3.95Å; V446-F451 WeakPolarHBondContact O-CD2 3.49Å; V446-F451 WeakPolarHBondContact O-CE2 3.24Å
447	Q	87.9	Confident	84	Confident	55 Å²	55	30 Å²	30	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-66.7	-55.1	171.8	-156.8	177.7	17.7	0	0	111.3	F139 W443 D444 T445 A449 H450 H502	F139-Q447 HydrophobicContact CE2-CB 4.22Å; W443-Q447 PolarHBondContact O-N 2.91Å; D444-Q447 PolarHBondContact O-N 3.32Å; T445-Q447 VanDerWaalsContact C-N 3.29Å; T445-Q447 PolarHBondContact O-N 3.26Å; Q447-A449 PolarHBondContact O-N 3.21Å; Q447-H450 PolarHBondContact O-N 2.95Å; Q447-H502 HydrophobicContact CG-CB 4.26Å
448	L	87.1	Confident	83.2	Confident	6 Å²	6	36 Å²	36	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-31.1	177.9	-81.5	173.2	0	0	0	113.7	L283 F293 D444 T445 H450 E499 H502 F506	L283-L448 HydrophobicContact CD2-CB 4.24Å; L283-L448 HydrophobicContact CD2-CD1 3.81Å; F293-L448 HydrophobicContact CD1-CD1 4.23Å; F293-L448 HydrophobicContact CE1-CD1 4.44Å; F293-L448 HydrophobicContact CE1-CD2 4.35Å; F293-L448 HydrophobicContact CG-CD1 4.47Å; F293-L448 HydrophobicContact CZ-CD2 4.49Å; D444-L448 WeakPolarHBondContact O-CB 3.49Å; D444-L448 PolarHBondContact O-N 2.89Å; T445-L448 PolarHBondContact O-N 3.29Å; L448-H450 PolarHBondContact O-N 3.38Å; L448-H450 VanDerWaalsContact O-N 3.11Å; L448-E499 HydrophobicContact CD2-CB 4.11Å; L448-E499 HydrophobicContact CD2-CG 4.17Å; L448-H502 WeakPolarHBondContact CD2-O 3.22Å; L448-H502 WeakPolarHBondContact CG-O 3.48Å; L448-F506 HydrophobicContact CD1-CB 4.06Å; L448-F506 HydrophobicContact CD1-CD2 3.62Å; L448-F506 HydrophobicContact CD1-CE2 4.3Å; L448-F506 HydrophobicContact CD1-CG 3.99Å
449	A	82.5	Confident	82.5	Confident	7 Å²	7	35.8 Å²	35.8	6%	0.058	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.7	176.6	0	0	0	0	0	114.2	K172 F401 T445 Q447 F451	K172-A449 PolarHBondContact NZ-O 2.89Å; F401-A449 HydrophobicContact CD1-CB 4.26Å; F401-A449 HydrophobicContact CE1-CB 4.36Å; T445-A449 VanDerWaalsContact O-CB 3.31Å; T445-A449 WeakPolarHBondContact O-CB 3.47Å; T445-A449 PolarHBondContact O-N 2.62Å; Q447-A449 PolarHBondContact O-N 3.21Å; A449-F451 HydrophobicContact CB-CD2 4.16Å; A449-F451 HydrophobicContact CB-CE2 3.49Å; A449-F451 VanDerWaalsContact CB-CE2 3.49Å; A449-F451 HydrophobicContact CB-CZ 3.81Å; A449-F451 PolarHBondContact O-N 2.75Å
450	H	79.9	Confident	81.6	Confident	28 Å²	28	37.2 Å²	37.2	13%	0.13	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	51	167.3	-164.7	-177.1	0	0	0	114.8	Q447 L448 N452 A453 Y498	Q447-H450 PolarHBondContact O-N 2.95Å; L448-H450 PolarHBondContact O-N 3.38Å; L448-H450 VanDerWaalsContact O-N 3.11Å; H450-N452 PolarHBondContact O-N 2.86Å; H450-A453 PolarHBondContact CD2-N 3.42Å; H450-A453 WeakPolarHBondContact O-CB 3.39Å; H450-A453 PolarHBondContact O-N 2.81Å; H450-A453 VanDerWaalsContact O-N 3.12Å; H450-Y498 HydrophobicContact CB-CD1 3.66Å; H450-Y498 HydrophobicContact CB-CE1 3.47Å; H450-Y498 VanDerWaalsContact CB-CE1 3.47Å; H450-Y498 HydrophobicContact CB-CG 4.48Å; H450-Y498 AromaticContact CD2-CD2 3.98Å; H450-Y498 AromaticContact CD2-CE1 3.75Å; H450-Y498 AromaticContact CD2-CE2 3.71Å; H450-Y498 AromaticContact CD2-CZ 3.59Å; H450-Y498 AromaticContact CE1-CD1 3.86Å; H450-Y498 AromaticContact CE1-CD2 3.38Å; H450-Y498 WeakPolarHBondContact CE1-CD2 3.31Å; H450-Y498 AromaticContact CE1-CE2 3.89Å; H450-Y498 AromaticContact CE1-CG 3.36Å; H450-Y498 AromaticContact CG-CD1 3.4Å; H450-Y498 VanDerWaalsContact CG-CD1 3.4Å; H450-Y498 AromaticContact CG-CE1 3.4Å; H450-Y498 AromaticContact CG-CG 3.76Å; H450-Y498 AromaticContact CG-CZ 3.76Å; H450-Y498 AromaticContact ND1-CD1 3.29Å; H450-Y498 VanDerWaalsContact ND1-CD1 3.29Å; H450-Y498 WeakPolarHBondContact ND1-CD1 2.99Å; H450-Y498 AromaticContact ND1-CD2 3.72Å; H450-Y498 AromaticContact ND1-CE1 3.8Å; H450-Y498 AromaticContact ND1-CG 3.24Å; H450-Y498 AromaticContact NE2-CD2 3.6Å; H450-Y498 AromaticContact NE2-CE2 3.63Å; H450-Y498 AromaticContact NE2-CG 3.96Å
451	F	76.5	Confident	80.9	Confident	18 Å²	18	40.1 Å²	40.1	8%	0.079	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-57.1	-25	179.9	-64.7	-82.6	0	0	0	114.3	L120 F141 L152 K172 F401 V446 A449 A453	L120-F451 HydrophobicContact CD1-CB 3.77Å; L120-F451 HydrophobicContact CD1-CG 4.42Å; L120-F451 HydrophobicContact CD2-CB 4.41Å; F141-F451 HydrophobicContact CE2-CD2 4.43Å; F141-F451 HydrophobicContact CZ-CD1 4.14Å; F141-F451 AromaticContact CZ-CD2 3.78Å; F141-F451 HydrophobicContact CZ-CD2 3.78Å; F141-F451 HydrophobicContact CZ-CE1 4.23Å; F141-F451 AromaticContact CZ-CE2 3.88Å; F141-F451 HydrophobicContact CZ-CE2 3.88Å; F141-F451 AromaticContact CZ-CG 3.92Å; F141-F451 HydrophobicContact CZ-CG 3.92Å; F141-F451 HydrophobicContact CZ-CZ 4.12Å; L152-F451 HydrophobicContact CB-CE1 3.93Å; L152-F451 HydrophobicContact CB-CZ 4.38Å; L152-F451 HydrophobicContact CD1-CE1 4.06Å; L152-F451 HydrophobicContact CD1-CZ 4.02Å; L152-F451 HydrophobicContact CD2-CE1 4.28Å; L152-F451 HydrophobicContact CD2-CZ 3.88Å; L152-F451 HydrophobicContact CG-CE1 4.31Å; L152-F451 HydrophobicContact CG-CZ 4.32Å; K172-F451 HydrophobicContact CB-CE1 4.1Å; K172-F451 HydrophobicContact CD-CD1 4.44Å; K172-F451 HydrophobicContact CD-CE1 4.18Å; K172-F451 HydrophobicContact CG-CE1 4.44Å; F401-F451 HydrophobicContact CE1-CZ 4.16Å; F401-F451 HydrophobicContact CZ-CZ 4.4Å; V446-F451 HydrophobicContact CG1-CD2 4.33Å; V446-F451 HydrophobicContact CG1-CE2 3.95Å; V446-F451 WeakPolarHBondContact O-CD2 3.49Å; V446-F451 WeakPolarHBondContact O-CE2 3.24Å; A449-F451 HydrophobicContact CB-CD2 4.16Å; A449-F451 HydrophobicContact CB-CE2 3.49Å; A449-F451 VanDerWaalsContact CB-CE2 3.49Å; A449-F451 HydrophobicContact CB-CZ 3.81Å; A449-F451 PolarHBondContact O-N 2.75Å; F451-A453 VanDerWaalsContact C-N 3.32Å; F451-A453 PolarHBondContact O-N 3.05Å
452	N	69.5	Low	80	Confident	122 Å²	122	42.9 Å²	42.9	65%	0.652	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-71.7	-18.6	179.2	-70.9	-35.1	0	0	0	114.6	H450 V454	H450-N452 PolarHBondContact O-N 2.86Å; N452-V454 VanDerWaalsContact C-N 3.34Å; N452-V454 PolarHBondContact O-N 2.96Å
453	A	68	Low	79.1	Confident	31 Å²	31	45 Å²	45	26%	0.256	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-61.9	-42.7	178.1	0	0	0	0	0	112.1	T397 H450 F451	T397-A453 HydrophobicContact CG2-CB 3.85Å; H450-A453 PolarHBondContact CD2-N 3.42Å; H450-A453 WeakPolarHBondContact O-CB 3.39Å; H450-A453 PolarHBondContact O-N 2.81Å; H450-A453 VanDerWaalsContact O-N 3.12Å; F451-A453 VanDerWaalsContact C-N 3.32Å; F451-A453 PolarHBondContact O-N 3.05Å
454	V	69.2	Low	78.5	Confident	17 Å²	17	50 Å²	50	10%	0.103	25%	0.246	C	C	.	.			trans	-106.4	88.2	-163.7	-167.1	0	0	0	0	111.2	W170 Q396 T397 N452 K456 C459	W170-V454 HydrophobicContact CB-CG1 3.92Å; Q396-V454 HydrophobicContact CB-CG2 4.41Å; T397-V454 HydrophobicContact CG2-CG2 3.55Å; T397-V454 WeakPolarHBondContact OG1-CG2 3.38Å; N452-V454 VanDerWaalsContact C-N 3.34Å; N452-V454 PolarHBondContact O-N 2.96Å; V454-K456 PolarHBondContact O-N 2.96Å; V454-C459 WeakPolarHBondContact CG1-SG 3.47Å
455	S	69.7	Low	77.8	Confident	57 Å²	57	56.3 Å²	56.3	40%	0.399	27%	0.273	S	S	.	.			trans	-74	118.1	176	-168.9	0	0	0	0	111.1	K457 K458 C459	S455-K457 CarbonylContact O-C 3.49Å; S455-K457 PolarHBondContact O-N 3.37Å; S455-K458 WeakPolarHBondContact O-CA 3.3Å; S455-K458 WeakPolarHBondContact O-CB 3.4Å; S455-K458 PolarHBondContact O-N 2.96Å; S455-C459 PolarHBondContact O-N 3.17Å
456	K	76.4	Confident	76.9	Confident	74 Å²	74	58.5 Å²	58.5	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-40.4	-38.9	170.6	-179.6	169.5	-176.5	174.6	0	113.7	D149 W170 V454 C460	D149-K456 PolarHBondContact O-NZ 2.92Å; D149-K456 IonicContact OD1-NZ 2.79Å; D149-K456 WeakPolarHBondContact OD2-CE 3.15Å; D149-K456 IonicContact OD2-NZ 3.17Å; D149-K456 PolarHBondContact OD2-NZ 2.77Å; W170-K456 HydrophobicContact CB-CB 4.45Å; W170-K456 HydrophobicContact CD2-CB 4.19Å; W170-K456 HydrophobicContact CD2-CD 4.47Å; W170-K456 HydrophobicContact CD2-CG 3.84Å; W170-K456 HydrophobicContact CE3-CG 4.33Å; W170-K456 HydrophobicContact CG-CB 4.02Å; W170-K456 HydrophobicContact CG-CG 4.15Å; W170-K456 HydrophobicContact CH2-CG 4.42Å; W170-K456 HydrophobicContact CZ2-CD 4.11Å; W170-K456 HydrophobicContact CZ2-CG 3.98Å; V454-K456 PolarHBondContact O-N 2.96Å; K456-C460 WeakPolarHBondContact O-CB 3.3Å; K456-C460 PolarHBondContact O-N 3.3Å; K456-C460 PolarHBondContact O-SG 3.03Å
457	K	74.5	Confident	76.3	Confident	141 Å²	141	62.3 Å²	62.3	61%	0.613	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-49.5	174.9	-177.5	176.9	176.3	-176.1	0	112.3	S455 C459 C460 D461	S455-K457 CarbonylContact O-C 3.49Å; S455-K457 PolarHBondContact O-N 3.37Å; K457-C459 PolarHBondContact O-N 3.09Å; K457-C460 PolarHBondContact O-N 3.48Å; K457-D461 WeakPolarHBondContact CE-OD2 3.38Å; K457-D461 VanDerWaalsContact CG-OD2 3.27Å; K457-D461 WeakPolarHBondContact CG-OD2 2.94Å; K457-D461 WeakPolarHBondContact O-CB 3.44Å; K457-D461 PolarHBondContact O-N 2.85Å
458	K	75.8	Confident	75.9	Confident	125 Å²	125	67 Å²	67	54%	0.543	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-50.8	179.4	-72.2	-177	178.2	-179.7	0	110.5	S455 C460 D461 E462	S455-K458 WeakPolarHBondContact O-CA 3.3Å; S455-K458 WeakPolarHBondContact O-CB 3.4Å; S455-K458 PolarHBondContact O-N 2.96Å; K458-C460 PolarHBondContact O-N 3.28Å; K458-D461 PolarHBondContact O-N 2.66Å; K458-D461 VanDerWaalsContact O-N 3.15Å; K458-E462 WeakPolarHBondContact O-CB 3.47Å; K458-E462 WeakPolarHBondContact O-CG 3.48Å; K458-E462 PolarHBondContact O-N 3.01Å
459	C	76.2	Confident	75.4	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.027	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-42	179.3	-55.3	0	0	0	0	113	Q169 W170 V454 S455 K457 E463	Q169-C459 HydrophobicContact CB-CB 4.19Å; W170-C459 HydrophobicContact CE3-CB 3.91Å; V454-C459 WeakPolarHBondContact CG1-SG 3.47Å; S455-C459 PolarHBondContact O-N 3.17Å; K457-C459 PolarHBondContact O-N 3.09Å; C459-E463 VanDerWaalsContact O-CB 3.32Å; C459-E463 WeakPolarHBondContact O-CB 3.38Å; C459-E463 PolarHBondContact O-N 2.91Å
460	C	75	Confident	75	Confident	38 Å²	38	76.5 Å²	76.5	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-42.9	173.8	-73.4	0	0	0	0	112.2	W170 K456 K457 K458 R464	W170-C460 WeakPolarHBondContact CZ3-SG 3.5Å; K456-C460 WeakPolarHBondContact O-CB 3.3Å; K456-C460 PolarHBondContact O-N 3.3Å; K456-C460 PolarHBondContact O-SG 3.03Å; K457-C460 PolarHBondContact O-N 3.48Å; K458-C460 PolarHBondContact O-N 3.28Å; C460-R464 WeakPolarHBondContact O-CB 3.44Å; C460-R464 VanDerWaalsContact O-CD 3.27Å; C460-R464 WeakPolarHBondContact O-CD 3.47Å; C460-R464 WeakPolarHBondContact O-CG 3.44Å; C460-R464 PolarHBondContact O-N 3.13Å
461	D	77.5	Confident	75	Confident	61 Å²	61	81.3 Å²	81.3	33%	0.326	38%	0.381	S	S	.	.	H	α-helix	trans	-74.8	-32.7	-177.8	-69.2	-23.2	0	0	0	112.3	K457 K458 R464 K465	K457-D461 WeakPolarHBondContact CE-OD2 3.38Å; K457-D461 VanDerWaalsContact CG-OD2 3.27Å; K457-D461 WeakPolarHBondContact CG-OD2 2.94Å; K457-D461 WeakPolarHBondContact O-CB 3.44Å; K457-D461 PolarHBondContact O-N 2.85Å; K458-D461 PolarHBondContact O-N 2.66Å; K458-D461 VanDerWaalsContact O-N 3.15Å; D461-R464 IonicContact OD1-CZ 2.61Å; D461-R464 IonicContact OD1-NH1 3.79Å; D461-R464 PolarHBondContact OD1-NH1 3.49Å; D461-K465 WeakPolarHBondContact O-CB 3.34Å; D461-K465 PolarHBondContact O-N 2.69Å
462	E	74.9	Confident	75.1	Confident	58 Å²	58	85.4 Å²	85.4	27%	0.271	40%	0.403	S	S	.	.	H	α-helix	trans	-66.5	-46.2	169.1	-77.6	171.3	-126.9	0	0	112.1	Q396 K458 R464 K465 R466	Q396-E462 PolarHBondContact NE2-OE1 2.88Å; Q396-E462 PolarHBondContact NE2-OE2 3.48Å; K458-E462 WeakPolarHBondContact O-CB 3.47Å; K458-E462 WeakPolarHBondContact O-CG 3.48Å; K458-E462 PolarHBondContact O-N 3.01Å; E462-R464 VanDerWaalsContact C-N 3.35Å; E462-R464 PolarHBondContact O-N 3.15Å; E462-K465 CarbonylContact O-C 3.5Å; E462-K465 WeakPolarHBondContact O-CA 3.4Å; E462-K465 VanDerWaalsContact O-CB 3.23Å; E462-K465 WeakPolarHBondContact O-CB 3.09Å; E462-K465 PolarHBondContact O-N 3.1Å; E462-R466 PolarHBondContact O-N 3.11Å
463	E	74.3	Confident	74.9	Confident	45 Å²	45	87.4 Å²	87.4	21%	0.21	41%	0.408	C	S	.	.	H	α-helix	trans	-66.2	-38.7	178.2	-168.5	58.1	-152	0	0	111.2	Q169 C459 K465 R466 I467	Q169-E463 PolarHBondContact NE2-OE2 3.06Å; C459-E463 VanDerWaalsContact O-CB 3.32Å; C459-E463 WeakPolarHBondContact O-CB 3.38Å; C459-E463 PolarHBondContact O-N 2.91Å; E463-K465 PolarHBondContact O-N 2.89Å; E463-R466 PolarHBondContact O-N 2.9Å; E463-R466 IonicContact OE2-CZ 3.47Å; E463-R466 IonicContact OE2-NH1 3.58Å; E463-R466 PolarHBondContact OE2-NH1 3.41Å; E463-I467 HydrophobicContact CG-CD1 4.1Å; E463-I467 WeakPolarHBondContact O-CB 3.35Å; E463-I467 VanDerWaalsContact O-CG1 3.29Å; E463-I467 WeakPolarHBondContact O-CG1 3.32Å; E463-I467 PolarHBondContact O-N 3.01Å
464	R	79.1	Confident	74.5	Confident	157 Å²	157	92.3 Å²	92.3	59%	0.592	42%	0.424	S	S	*	.	H	α-helix	trans	-57.2	-37.2	167.3	-75.2	162	171.5	174.6	-7.5	112.2	C460 D461 E462 R468	C460-R464 WeakPolarHBondContact O-CB 3.44Å; C460-R464 VanDerWaalsContact O-CD 3.27Å; C460-R464 WeakPolarHBondContact O-CD 3.47Å; C460-R464 WeakPolarHBondContact O-CG 3.44Å; C460-R464 PolarHBondContact O-N 3.13Å; D461-R464 IonicContact OD1-CZ 2.61Å; D461-R464 IonicContact OD1-NH1 3.79Å; D461-R464 PolarHBondContact OD1-NH1 3.49Å; E462-R464 VanDerWaalsContact C-N 3.35Å; E462-R464 PolarHBondContact O-N 3.15Å; R464-R468 VanDerWaalsContact O-CB 3.23Å; R464-R468 WeakPolarHBondContact O-CB 3.49Å; R464-R468 PolarHBondContact O-N 2.79Å
465	K	77.9	Confident	73.8	Confident	137 Å²	137	98.1 Å²	98.1	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-69.8	-42.3	176.8	-150.2	177	-174.4	-175.2	0	111.3	D461 E462 E463 R468 N469	D461-K465 WeakPolarHBondContact O-CB 3.34Å; D461-K465 PolarHBondContact O-N 2.69Å; E462-K465 CarbonylContact O-C 3.5Å; E462-K465 WeakPolarHBondContact O-CA 3.4Å; E462-K465 VanDerWaalsContact O-CB 3.23Å; E462-K465 WeakPolarHBondContact O-CB 3.09Å; E462-K465 PolarHBondContact O-N 3.1Å; E463-K465 PolarHBondContact O-N 2.89Å; K465-R468 PolarHBondContact O-N 3.12Å; K465-N469 WeakPolarHBondContact O-CB 3.33Å; K465-N469 PolarHBondContact O-N 3Å; K465-N469 PolarHBondContact O-OD1 3.35Å
466	R	73.6	Confident	73.1	Confident	45 Å²	45	99.8 Å²	99.8	17%	0.17	46%	0.458	C	S	.	.	H	α-helix	trans	-62.5	-48.4	173.6	-66.9	-174.2	-167.9	124.2	2.4	111.9	Q169 E462 E463 N469 R470	Q169-R466 VanDerWaalsContact CD-NH1 3.35Å; E462-R466 PolarHBondContact O-N 3.11Å; E463-R466 PolarHBondContact O-N 2.9Å; E463-R466 IonicContact OE2-CZ 3.47Å; E463-R466 IonicContact OE2-NH1 3.58Å; E463-R466 PolarHBondContact OE2-NH1 3.41Å; R466-N469 PolarHBondContact O-N 2.93Å; R466-R470 WeakPolarHBondContact O-CG 3.44Å; R466-R470 PolarHBondContact O-N 3.14Å
467	I	77.3	Confident	72.1	Confident	82 Å²	82	101 Å²	101	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-60.2	-46.8	176.8	-68	166.2	0	0	0	110.3	E463 N469 R470 L471	E463-I467 HydrophobicContact CG-CD1 4.1Å; E463-I467 WeakPolarHBondContact O-CB 3.35Å; E463-I467 VanDerWaalsContact O-CG1 3.29Å; E463-I467 WeakPolarHBondContact O-CG1 3.32Å; E463-I467 PolarHBondContact O-N 3.01Å; I467-N469 PolarHBondContact O-N 3.42Å; I467-R470 PolarHBondContact O-N 3.43Å; I467-L471 HydrophobicContact CG2-CD1 3.82Å; I467-L471 HydrophobicContact CG2-CG 4.38Å; I467-L471 WeakPolarHBondContact O-CB 3.35Å; I467-L471 VanDerWaalsContact O-CG 3.32Å; I467-L471 WeakPolarHBondContact O-CG 3.11Å; I467-L471 PolarHBondContact O-N 3.03Å
468	R	78.4	Confident	71	Confident	154 Å²	154	103.4 Å²	103.4	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-58.7	-44.8	174.9	179.7	-179.8	-76	123.7	-10.1	112	R464 K465 L471 L472	R464-R468 VanDerWaalsContact O-CB 3.23Å; R464-R468 WeakPolarHBondContact O-CB 3.49Å; R464-R468 PolarHBondContact O-N 2.79Å; K465-R468 PolarHBondContact O-N 3.12Å; R468-L471 PolarHBondContact O-N 3.27Å; R468-L472 HydrophobicContact CG-CD1 3.7Å; R468-L472 HydrophobicContact CG-CG 4.3Å; R468-L472 WeakPolarHBondContact O-CB 3.34Å; R468-L472 VanDerWaalsContact O-CG 3.24Å; R468-L472 WeakPolarHBondContact O-CG 3.3Å; R468-L472 PolarHBondContact O-N 3.49Å
469	N	76.8	Confident	70.1	Confident	64 Å²	64	103.1 Å²	103.1	34%	0.342	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-41.8	179.2	-73.4	-1.5	0	0	0	112.2	K465 R466 I467 L472	K465-N469 WeakPolarHBondContact O-CB 3.33Å; K465-N469 PolarHBondContact O-N 3Å; K465-N469 PolarHBondContact O-OD1 3.35Å; R466-N469 PolarHBondContact O-N 2.93Å; I467-N469 PolarHBondContact O-N 3.42Å; N469-L472 PolarHBondContact O-N 2.82Å
470	R	74.7	Confident	69.4	Low	149 Å²	149	107.2 Å²	107.2	56%	0.562	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-48.3	174.8	-72.8	175.9	178.9	158.4	1.4	111.7	R466 I467 L472 H473	R466-R470 WeakPolarHBondContact O-CG 3.44Å; R466-R470 PolarHBondContact O-N 3.14Å; I467-R470 PolarHBondContact O-N 3.43Å; R470-L472 VanDerWaalsContact C-N 3.33Å; R470-L472 PolarHBondContact O-N 2.9Å; R470-H473 PolarHBondContact O-N 3.13Å
471	L	78.8	Confident	68.8	Low	128 Å²	128	112.2 Å²	112.2	67%	0.67	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-38.2	179	-71.1	170.1	0	0	0	112.6	I467 R468 H473	I467-L471 HydrophobicContact CG2-CD1 3.82Å; I467-L471 HydrophobicContact CG2-CG 4.38Å; I467-L471 WeakPolarHBondContact O-CB 3.35Å; I467-L471 VanDerWaalsContact O-CG 3.32Å; I467-L471 WeakPolarHBondContact O-CG 3.11Å; I467-L471 PolarHBondContact O-N 3.03Å; R468-L471 PolarHBondContact O-N 3.27Å; L471-H473 PolarHBondContact O-N 2.88Å; L471-H473 PolarHBondContact O-ND1 2.91Å
472	L	80.1	Confident	68	Low	104 Å²	104	111.8 Å²	111.8	55%	0.545	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2.4	180	-70.6	175.6	0	0	0	114.4	R468 N469 R470 K474	R468-L472 HydrophobicContact CG-CD1 3.7Å; R468-L472 HydrophobicContact CG-CG 4.3Å; R468-L472 WeakPolarHBondContact O-CB 3.34Å; R468-L472 VanDerWaalsContact O-CG 3.24Å; R468-L472 WeakPolarHBondContact O-CG 3.3Å; R468-L472 PolarHBondContact O-N 3.49Å; N469-L472 PolarHBondContact O-N 2.82Å; R470-L472 VanDerWaalsContact C-N 3.33Å; R470-L472 PolarHBondContact O-N 2.9Å; L472-K474 HydrophobicContact CB-CG 4.23Å; L472-K474 PolarHBondContact O-N 2.8Å
473	H	64.7	Low	67.6	Low	164 Å²	164	111.5 Å²	111.5	76%	0.759	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	28.6	179.9	-68	73.9	0	0	0	114	R470 L471 N475	R470-H473 PolarHBondContact O-N 3.13Å; L471-H473 PolarHBondContact O-N 2.88Å; L471-H473 PolarHBondContact O-ND1 2.91Å; H473-N475 PolarHBondContact O-N 2.8Å
474	K	60.2	Low	67.4	Low	135 Å²	135	112.2 Å²	112.2	59%	0.587	53%	0.529	S	S	*	.			trans	-66.4	121.9	172.4	-69.8	-165.1	171.5	-162.4	0	107.3	L472 I476	L472-K474 HydrophobicContact CB-CG 4.23Å; L472-K474 PolarHBondContact O-N 2.8Å; K474-I476 WeakPolarHBondContact O-CG1 3.37Å; K474-I476 PolarHBondContact O-N 2.74Å
475	N	54.8	Low	67	Low	139 Å²	139	108.9 Å²	108.9	74%	0.743	52%	0.52	S	S	*	.			trans	-49	112.2	177.1	-80.6	-0.2	0	0	0	109.6	H473 D477	H473-N475 PolarHBondContact O-N 2.8Å; N475-D477 WeakPolarHBondContact CB-OD2 3.39Å; N475-D477 PolarHBondContact O-N 2.73Å
476	I	54.9	Low	66.8	Low	92 Å²	92	108.9 Å²	108.9	47%	0.472	52%	0.516	S	S	.	.			trans	-85.5	74.2	170.5	-57.8	-170.4	0	0	0	105.3	K474 H480	K474-I476 WeakPolarHBondContact O-CG1 3.37Å; K474-I476 PolarHBondContact O-N 2.74Å; I476-H480 HydrophobicContact CG2-CB 3.33Å; I476-H480 WeakPolarHBondContact CG2-CD2 3.45Å
477	D	53.7	Low	66.9	Low	98 Å²	98	109.6 Å²	109.6	52%	0.524	52%	0.523	S	S	.	.			trans	-60.8	170	179.4	-92.9	-63.4	0	0	0	111.8	N475 D479 H480	N475-D477 WeakPolarHBondContact CB-OD2 3.39Å; N475-D477 PolarHBondContact O-N 2.73Å; D477-D479 PolarHBondContact O-N 3.41Å; D477-H480 PolarHBondContact O-N 2.88Å
478	K	51.4	Low	66.8	Low	193 Å²	193	108.5 Å²	108.5	84%	0.839	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-26.3	-173	-62.7	175.8	-177.6	173.2	0	113.7	H480 K481	K478-H480 PolarHBondContact O-N 2.8Å; K478-K481 PolarHBondContact O-N 2.79Å; K478-K481 VanDerWaalsContact O-N 3.16Å
479	D	57.4	Low	66.8	Low	118 Å²	118	107.1 Å²	107.1	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-50.2	-32.4	171.8	-76.8	-29.9	0	0	0	115	D477 K481 C482 S483	D477-D479 PolarHBondContact O-N 3.41Å; D479-K481 VanDerWaalsContact C-N 3.25Å; D479-K481 PolarHBondContact O-N 3.33Å; D479-C482 PolarHBondContact O-N 2.71Å; D479-S483 VanDerWaalsContact O-CB 3.31Å; D479-S483 WeakPolarHBondContact O-CB 3.31Å; D479-S483 PolarHBondContact O-N 2.67Å
480	H	62.1	Low	67.1	Low	90 Å²	90	110.8 Å²	110.8	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-30.4	-179.2	-170.1	-47.4	0	0	0	112	I476 D477 K478 L484	I476-H480 HydrophobicContact CG2-CB 3.33Å; I476-H480 WeakPolarHBondContact CG2-CD2 3.45Å; D477-H480 PolarHBondContact O-N 2.88Å; K478-H480 PolarHBondContact O-N 2.8Å; H480-L484 WeakPolarHBondContact O-CB 3.48Å; H480-L484 PolarHBondContact O-N 3.42Å
481	K	61.9	Low	67.2	Low	144 Å²	144	106.9 Å²	106.9	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-49.7	173.5	-177.7	177.7	164.5	-179.9	0	110.4	K478 D479 S483 L484 E485	K478-K481 PolarHBondContact O-N 2.79Å; K478-K481 VanDerWaalsContact O-N 3.16Å; D479-K481 VanDerWaalsContact C-N 3.25Å; D479-K481 PolarHBondContact O-N 3.33Å; K481-S483 VanDerWaalsContact C-N 3.34Å; K481-S483 PolarHBondContact O-N 2.89Å; K481-L484 WeakPolarHBondContact O-CB 3.48Å; K481-L484 PolarHBondContact O-N 2.96Å; K481-L484 VanDerWaalsContact O-N 3.15Å; K481-E485 WeakPolarHBondContact CE-OE1 3.26Å; K481-E485 IonicContact NZ-OE1 2.62Å; K481-E485 WeakPolarHBondContact O-CG 3.33Å; K481-E485 PolarHBondContact O-N 3.06Å
482	C	60.1	Low	67.2	Low	51 Å²	51	102.8 Å²	102.8	35%	0.345	50%	0.496	S	S	.	.	H	α-helix	trans	-69	-30.5	-179	-165.3	0	0	0	0	113.1	D479 E485 R486	D479-C482 PolarHBondContact O-N 2.71Å; C482-E485 WeakPolarHBondContact CA-OE2 3.13Å; C482-R486 WeakPolarHBondContact O-CB 3.16Å; C482-R486 VanDerWaalsContact O-CG 3.31Å; C482-R486 WeakPolarHBondContact O-CG 3.19Å; C482-R486 PolarHBondContact O-N 3.12Å; C482-R486 VanDerWaalsContact O-N 3.08Å; C482-R486 PolarHBondContact O-NE 3.31Å; C482-R486 PolarHBondContact SG-NE 2.79Å; C482-R486 VanDerWaalsContact SG-NE 3.44Å; C482-R486 PolarHBondContact SG-NH2 2.97Å
483	S	68.2	Low	67.3	Low	52 Å²	52	100.5 Å²	100.5	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-68.6	-39.8	170.9	-169.7	0	0	0	0	111.6	D479 K481 R486 D487	D479-S483 VanDerWaalsContact O-CB 3.31Å; D479-S483 WeakPolarHBondContact O-CB 3.31Å; D479-S483 PolarHBondContact O-N 2.67Å; K481-S483 VanDerWaalsContact C-N 3.34Å; K481-S483 PolarHBondContact O-N 2.89Å; S483-R486 PolarHBondContact O-N 3.37Å; S483-D487 WeakPolarHBondContact O-CB 3.37Å; S483-D487 PolarHBondContact O-N 2.96Å
484	L	69.4	Low	68.1	Low	61 Å²	61	97.5 Å²	97.5	32%	0.319	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.7	-175.8	69.4	0	0	0	111.1	I395 H480 K481 D487 V488	I395-L484 HydrophobicContact CD1-CD1 3.38Å; I395-L484 HydrophobicContact CG1-CD1 3.7Å; I395-L484 HydrophobicContact CG2-CD1 4.26Å; H480-L484 WeakPolarHBondContact O-CB 3.48Å; H480-L484 PolarHBondContact O-N 3.42Å; K481-L484 WeakPolarHBondContact O-CB 3.48Å; K481-L484 PolarHBondContact O-N 2.96Å; K481-L484 VanDerWaalsContact O-N 3.15Å; L484-D487 PolarHBondContact O-N 3.36Å; L484-V488 VanDerWaalsContact O-CG2 3.3Å; L484-V488 WeakPolarHBondContact O-CG2 3.32Å; L484-V488 PolarHBondContact O-N 2.9Å
485	E	70.2	Confident	69.2	Low	86 Å²	86	92.4 Å²	92.4	40%	0.402	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-49.3	175.6	-71.6	162.2	158.2	0	0	111.1	K481 C482 D487 V488 E489	K481-E485 WeakPolarHBondContact CE-OE1 3.26Å; K481-E485 IonicContact NZ-OE1 2.62Å; K481-E485 WeakPolarHBondContact O-CG 3.33Å; K481-E485 PolarHBondContact O-N 3.06Å; C482-E485 WeakPolarHBondContact CA-OE2 3.13Å; E485-D487 VanDerWaalsContact C-N 3.35Å; E485-D487 PolarHBondContact O-N 3.42Å; E485-V488 PolarHBondContact O-N 3.46Å; E485-E489 WeakPolarHBondContact O-CG 3.37Å; E485-E489 PolarHBondContact O-N 2.88Å
486	R	74.5	Confident	70.6	Confident	137 Å²	137	87.8 Å²	87.8	52%	0.517	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-37.7	174.6	-73.6	177.3	-116.2	156.8	-6.5	113.6	C482 S483 K490	C482-R486 WeakPolarHBondContact O-CB 3.16Å; C482-R486 VanDerWaalsContact O-CG 3.31Å; C482-R486 WeakPolarHBondContact O-CG 3.19Å; C482-R486 PolarHBondContact O-N 3.12Å; C482-R486 VanDerWaalsContact O-N 3.08Å; C482-R486 PolarHBondContact O-NE 3.31Å; C482-R486 PolarHBondContact SG-NE 2.79Å; C482-R486 VanDerWaalsContact SG-NE 3.44Å; C482-R486 PolarHBondContact SG-NH2 2.97Å; S483-R486 PolarHBondContact O-N 3.37Å; R486-K490 VanDerWaalsContact O-CB 3.26Å; R486-K490 WeakPolarHBondContact O-CB 3.3Å; R486-K490 PolarHBondContact O-N 2.98Å; R486-K490 VanDerWaalsContact O-N 3.09Å
487	D	76	Confident	72	Confident	61 Å²	61	91.1 Å²	91.1	33%	0.326	45%	0.448	S	S	.	.	H	α-helix	trans	-67.7	-42.4	175.1	-83.2	-35.8	0	0	0	111	I395 S483 L484 E485 K490 Y491	I395-D487 HydrophobicContact CG2-CB 4.43Å; S483-D487 WeakPolarHBondContact O-CB 3.37Å; S483-D487 PolarHBondContact O-N 2.96Å; L484-D487 PolarHBondContact O-N 3.36Å; E485-D487 VanDerWaalsContact C-N 3.35Å; E485-D487 PolarHBondContact O-N 3.42Å; D487-K490 PolarHBondContact O-N 2.92Å; D487-Y491 HydrophobicContact CB-CD2 4.4Å; D487-Y491 HydrophobicContact CB-CE2 4.28Å; D487-Y491 WeakPolarHBondContact O-CD2 3.26Å; D487-Y491 PolarHBondContact O-N 2.93Å
488	V	75.4	Confident	73.5	Confident	58 Å²	58	88.2 Å²	88.2	35%	0.352	43%	0.43	S	S	.	.	H	α-helix	trans	-59.6	-49.5	174.9	167.3	0	0	0	0	111.3	I395 L484 E485 K490 Y491 Q492	I395-V488 HydrophobicContact CG2-CG2 3.9Å; L484-V488 VanDerWaalsContact O-CG2 3.3Å; L484-V488 WeakPolarHBondContact O-CG2 3.32Å; L484-V488 PolarHBondContact O-N 2.9Å; E485-V488 PolarHBondContact O-N 3.46Å; V488-K490 VanDerWaalsContact C-N 3.29Å; V488-K490 PolarHBondContact O-N 3.26Å; V488-Y491 PolarHBondContact O-N 3.22Å; V488-Q492 WeakPolarHBondContact O-CB 3.47Å; V488-Q492 PolarHBondContact O-N 3.01Å
489	E	77.2	Confident	75.1	Confident	125 Å²	125	79.2 Å²	79.2	58%	0.584	39%	0.391	S	S	*	.	H	α-helix	trans	-56.1	-43.6	176.3	-71.5	172.1	167.8	0	0	111.9	E485 Q492 A493	E485-E489 WeakPolarHBondContact O-CG 3.37Å; E485-E489 PolarHBondContact O-N 2.88Å; E489-Q492 PolarHBondContact O-N 3.44Å; E489-A493 WeakPolarHBondContact O-CB 3.46Å; E489-A493 PolarHBondContact O-N 2.83Å
490	K	82.4	Confident	76.4	Confident	141 Å²	141	78.4 Å²	78.4	61%	0.613	39%	0.386	S	S	*	.	H	α-helix	trans	-66.9	-41.7	179.1	-179.9	-177.8	177.8	-177.7	0	112.9	R486 D487 V488 L494	R486-K490 VanDerWaalsContact O-CB 3.26Å; R486-K490 WeakPolarHBondContact O-CB 3.3Å; R486-K490 PolarHBondContact O-N 2.98Å; R486-K490 VanDerWaalsContact O-N 3.09Å; D487-K490 PolarHBondContact O-N 2.92Å; V488-K490 VanDerWaalsContact C-N 3.29Å; V488-K490 PolarHBondContact O-N 3.26Å; K490-L494 WeakPolarHBondContact O-CB 3.4Å; K490-L494 PolarHBondContact O-N 2.81Å; K490-L494 VanDerWaalsContact O-N 3.16Å
491	Y	78.6	Confident	77.5	Confident	68 Å²	68	78 Å²	78	27%	0.267	39%	0.393	S	S	.	.	H	α-helix	trans	-71.5	-35.8	175.7	-74.3	-62.8	0	0	0	111.8	I395 Q396 D487 V488 L494 S495	I395-Y491 HydrophobicContact CG2-CD2 4.17Å; Q396-Y491 HydrophobicContact CB-CD1 4.25Å; Q396-Y491 HydrophobicContact CB-CE1 4.29Å; Q396-Y491 HydrophobicContact CB-CG 4.43Å; Q396-Y491 HydrophobicContact CG-CD1 4.44Å; Q396-Y491 HydrophobicContact CG-CD2 4.3Å; Q396-Y491 HydrophobicContact CG-CE1 4.08Å; Q396-Y491 HydrophobicContact CG-CE2 3.94Å; D487-Y491 HydrophobicContact CB-CD2 4.4Å; D487-Y491 HydrophobicContact CB-CE2 4.28Å; D487-Y491 WeakPolarHBondContact O-CD2 3.26Å; D487-Y491 PolarHBondContact O-N 2.93Å; V488-Y491 PolarHBondContact O-N 3.22Å; Y491-L494 PolarHBondContact O-N 3.29Å; Y491-S495 WeakPolarHBondContact O-CB 3.34Å; Y491-S495 PolarHBondContact O-N 2.99Å
492	Q	78.7	Confident	78.5	Confident	41 Å²	41	73.5 Å²	73.5	19%	0.192	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-52.5	171.6	178.3	-177.1	-26.2	0	0	111	P289 V488 E489 L494 S495 E496	P289-Q492 HydrophobicContact CG-CG 4.13Å; V488-Q492 WeakPolarHBondContact O-CB 3.47Å; V488-Q492 PolarHBondContact O-N 3.01Å; E489-Q492 PolarHBondContact O-N 3.44Å; Q492-L494 PolarHBondContact O-N 3.39Å; Q492-S495 WeakPolarHBondContact O-CA 3.36Å; Q492-S495 WeakPolarHBondContact O-CB 3.45Å; Q492-S495 PolarHBondContact O-N 3.46Å; Q492-E496 HydrophobicContact CG-CG 4.4Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.28Å; Q492-E496 PolarHBondContact NE2-OE1 3.29Å; Q492-E496 WeakPolarHBondContact O-CG 3.36Å; Q492-E496 PolarHBondContact O-N 3.01Å
493	A	81.1	Confident	79.6	Confident	56 Å²	56	73.3 Å²	73.3	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-32.2	179.7	0	0	0	0	0	112.8	E489 K497	E489-A493 WeakPolarHBondContact O-CB 3.46Å; E489-A493 PolarHBondContact O-N 2.83Å; A493-K497 WeakPolarHBondContact O-CB 3.36Å; A493-K497 PolarHBondContact O-N 3.29Å; A493-K497 VanDerWaalsContact O-N 3.14Å
494	L	82.9	Confident	80.4	Confident	102 Å²	102	72.5 Å²	72.5	53%	0.534	37%	0.369	S	S	.	.	H	α-helix	trans	-71.7	-38.8	172.8	-175.6	62.7	0	0	0	112.4	K490 Y491 Q492 Y498	K490-L494 WeakPolarHBondContact O-CB 3.4Å; K490-L494 PolarHBondContact O-N 2.81Å; K490-L494 VanDerWaalsContact O-N 3.16Å; Y491-L494 PolarHBondContact O-N 3.29Å; Q492-L494 PolarHBondContact O-N 3.39Å; L494-Y498 WeakPolarHBondContact O-CB 3.36Å; L494-Y498 PolarHBondContact O-N 2.86Å
495	S	82.2	Confident	81.3	Confident	27 Å²	27	69.9 Å²	69.9	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-47.4	174.9	-153.6	0	0	0	0	110.8	Y491 Q492 K497 Y498 E499	Y491-S495 WeakPolarHBondContact O-CB 3.34Å; Y491-S495 PolarHBondContact O-N 2.99Å; Q492-S495 WeakPolarHBondContact O-CA 3.36Å; Q492-S495 WeakPolarHBondContact O-CB 3.45Å; Q492-S495 PolarHBondContact O-N 3.46Å; S495-K497 VanDerWaalsContact C-N 3.33Å; S495-K497 PolarHBondContact O-N 3.18Å; S495-Y498 PolarHBondContact O-N 3.02Å; S495-Y498 VanDerWaalsContact O-N 3.1Å; S495-E499 WeakPolarHBondContact CB-OE1 3.45Å; S495-E499 WeakPolarHBondContact O-CB 3.31Å; S495-E499 VanDerWaalsContact O-CG 3.24Å; S495-E499 WeakPolarHBondContact O-CG 3.41Å; S495-E499 PolarHBondContact O-N 3.42Å; S495-E499 PolarHBondContact OG-OE1 2.78Å
496	E	83.5	Confident	82.4	Confident	42 Å²	42	66 Å²	66	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-56.3	-44.9	175.8	-75.1	175	-177.7	0	0	112.2	R291 Q492 Y498 N500	R291-E496 IonicContact NH1-OE1 3.75Å; R291-E496 PolarHBondContact NH1-OE1 2.87Å; Q492-E496 HydrophobicContact CG-CG 4.4Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.28Å; Q492-E496 PolarHBondContact NE2-OE1 3.29Å; Q492-E496 WeakPolarHBondContact O-CG 3.36Å; Q492-E496 PolarHBondContact O-N 3.01Å; E496-Y498 VanDerWaalsContact C-N 3.35Å; E496-Y498 PolarHBondContact O-N 3.21Å; E496-N500 VanDerWaalsContact O-CB 3.3Å; E496-N500 WeakPolarHBondContact O-CB 3.38Å; E496-N500 PolarHBondContact O-N 2.81Å; E496-N500 PolarHBondContact O-ND2 2.82Å; E496-N500 PolarHBondContact O-OD1 2.83Å
497	K	85.2	Confident	83.3	Confident	162 Å²	162	62.2 Å²	62.2	70%	0.704	32%	0.323	S	S	*	.	H	α-helix	trans	-69	-31.5	177.9	-164.2	171.4	-174.6	177.3	0	113.2	A493 S495 S501	A493-K497 WeakPolarHBondContact O-CB 3.36Å; A493-K497 PolarHBondContact O-N 3.29Å; A493-K497 VanDerWaalsContact O-N 3.14Å; S495-K497 VanDerWaalsContact C-N 3.33Å; S495-K497 PolarHBondContact O-N 3.18Å; K497-S501 PolarHBondContact O-OG 3Å
498	Y	84.9	Confident	84	Confident	38 Å²	38	62 Å²	62	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-73.2	-50.2	173.9	-177.5	-93.3	0	0	0	111.8	H450 L494 S495 E496 N500 S501 H502	H450-Y498 HydrophobicContact CB-CD1 3.66Å; H450-Y498 HydrophobicContact CB-CE1 3.47Å; H450-Y498 VanDerWaalsContact CB-CE1 3.47Å; H450-Y498 HydrophobicContact CB-CG 4.48Å; H450-Y498 AromaticContact CD2-CD2 3.98Å; H450-Y498 AromaticContact CD2-CE1 3.75Å; H450-Y498 AromaticContact CD2-CE2 3.71Å; H450-Y498 AromaticContact CD2-CZ 3.59Å; H450-Y498 AromaticContact CE1-CD1 3.86Å; H450-Y498 AromaticContact CE1-CD2 3.38Å; H450-Y498 WeakPolarHBondContact CE1-CD2 3.31Å; H450-Y498 AromaticContact CE1-CE2 3.89Å; H450-Y498 AromaticContact CE1-CG 3.36Å; H450-Y498 AromaticContact CG-CD1 3.4Å; H450-Y498 VanDerWaalsContact CG-CD1 3.4Å; H450-Y498 AromaticContact CG-CE1 3.4Å; H450-Y498 AromaticContact CG-CG 3.76Å; H450-Y498 AromaticContact CG-CZ 3.76Å; H450-Y498 AromaticContact ND1-CD1 3.29Å; H450-Y498 VanDerWaalsContact ND1-CD1 3.29Å; H450-Y498 WeakPolarHBondContact ND1-CD1 2.99Å; H450-Y498 AromaticContact ND1-CD2 3.72Å; H450-Y498 AromaticContact ND1-CE1 3.8Å; H450-Y498 AromaticContact ND1-CG 3.24Å; H450-Y498 AromaticContact NE2-CD2 3.6Å; H450-Y498 AromaticContact NE2-CE2 3.63Å; H450-Y498 AromaticContact NE2-CG 3.96Å; L494-Y498 WeakPolarHBondContact O-CB 3.36Å; L494-Y498 PolarHBondContact O-N 2.86Å; S495-Y498 PolarHBondContact O-N 3.02Å; S495-Y498 VanDerWaalsContact O-N 3.1Å; E496-Y498 VanDerWaalsContact C-N 3.35Å; E496-Y498 PolarHBondContact O-N 3.21Å; Y498-N500 PolarHBondContact O-N 2.84Å; Y498-S501 CarbonylContact O-C 3.56Å; Y498-S501 PolarHBondContact O-N 3.25Å; Y498-S501 PolarHBondContact O-OG 2.99Å; Y498-H502 HydrophobicContact CD1-CB 4.39Å; Y498-H502 AromaticContact CD2-CE1 3.58Å; Y498-H502 AromaticContact CD2-ND1 3.62Å; Y498-H502 HydrophobicContact CE1-CB 3.95Å; Y498-H502 AromaticContact CE1-CG 3.78Å; Y498-H502 AromaticContact CE2-CD2 3.78Å; Y498-H502 AromaticContact CE2-CE1 3.21Å; Y498-H502 WeakPolarHBondContact CE2-CE1 3.44Å; Y498-H502 AromaticContact CE2-CG 3.83Å; Y498-H502 AromaticContact CE2-ND1 3.46Å; Y498-H502 WeakPolarHBondContact CE2-ND1 3.39Å; Y498-H502 AromaticContact CE2-NE2 3.37Å; Y498-H502 WeakPolarHBondContact CE2-NE2 3.38Å; Y498-H502 AromaticContact CG-ND1 3.95Å; Y498-H502 AromaticContact CZ-CD2 3.48Å; Y498-H502 VanDerWaalsContact CZ-CD2 3.48Å; Y498-H502 AromaticContact CZ-CE1 3.73Å; Y498-H502 AromaticContact CZ-CG 3.52Å; Y498-H502 AromaticContact CZ-ND1 3.66Å; Y498-H502 AromaticContact CZ-NE2 3.59Å; Y498-H502 WeakPolarHBondContact O-CB 3.44Å; Y498-H502 PolarHBondContact O-N 2.95Å; Y498-H502 VanDerWaalsContact O-N 3.15Å; Y498-H502 PolarHBondContact O-ND1 3.24Å; Y498-H502 PolarHBondContact OH-CD2 3.29Å; Y498-H502 VanDerWaalsContact OH-CD2 3.23Å; Y498-H502 PolarHBondContact OH-NE2 3.04Å
499	E	85.7	Confident	84.8	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-48.1	-179.6	-71.1	164.2	-135.2	0	0	110.7	R291 F293 L448 S495 S501 H502 M503	R291-E499 IonicContact CZ-OE2 3.94Å; R291-E499 IonicContact NE-OE1 2.68Å; R291-E499 IonicContact NE-OE2 3.85Å; R291-E499 PolarHBondContact NE-OE2 3.09Å; R291-E499 IonicContact NH2-OE2 2.66Å; R291-E499 PolarHBondContact NH2-OE2 3.03Å; F293-E499 HydrophobicContact CZ-CB 4.15Å; F293-E499 HydrophobicContact CZ-CG 4.38Å; F293-E499 VanDerWaalsContact CZ-OE2 3.3Å; F293-E499 WeakPolarHBondContact CZ-OE2 3.27Å; L448-E499 HydrophobicContact CD2-CB 4.11Å; L448-E499 HydrophobicContact CD2-CG 4.17Å; S495-E499 WeakPolarHBondContact CB-OE1 3.45Å; S495-E499 WeakPolarHBondContact O-CB 3.31Å; S495-E499 VanDerWaalsContact O-CG 3.24Å; S495-E499 WeakPolarHBondContact O-CG 3.41Å; S495-E499 PolarHBondContact O-N 3.42Å; S495-E499 PolarHBondContact OG-OE1 2.78Å; E499-S501 PolarHBondContact O-N 3.19Å; E499-H502 CarbonylContact O-C 3.59Å; E499-H502 PolarHBondContact O-N 3.2Å; E499-M503 WeakPolarHBondContact O-CG 3.24Å; E499-M503 PolarHBondContact O-N 2.78Å
500	N	83.7	Confident	85.3	Confident	101 Å²	101	54.4 Å²	54.4	54%	0.54	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.2	177.2	-68.6	-4.4	0	0	0	114.5	E496 Y498	E496-N500 VanDerWaalsContact O-CB 3.3Å; E496-N500 WeakPolarHBondContact O-CB 3.38Å; E496-N500 PolarHBondContact O-N 2.81Å; E496-N500 PolarHBondContact O-ND2 2.82Å; E496-N500 PolarHBondContact O-OD1 2.83Å; Y498-N500 PolarHBondContact O-N 2.84Å
501	S	85.4	Confident	85.5	Confident	80 Å²	80	49.4 Å²	49.4	56%	0.559	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-2.7	175	47.5	0	0	0	0	113.8	K497 Y498 E499	K497-S501 PolarHBondContact O-OG 3Å; Y498-S501 CarbonylContact O-C 3.56Å; Y498-S501 PolarHBondContact O-N 3.25Å; Y498-S501 PolarHBondContact O-OG 2.99Å; E499-S501 PolarHBondContact O-N 3.19Å
502	H	84.2	Confident	85.4	Confident	51 Å²	51	48.3 Å²	48.3	24%	0.236	27%	0.266	C	S	.	.	S	Bend	trans	-135.2	30.1	-173.7	-65.2	76.3	0	0	0	112	Q447 L448 Y498 E499 G504	Q447-H502 HydrophobicContact CG-CB 4.26Å; L448-H502 WeakPolarHBondContact CD2-O 3.22Å; L448-H502 WeakPolarHBondContact CG-O 3.48Å; Y498-H502 HydrophobicContact CD1-CB 4.39Å; Y498-H502 AromaticContact CD2-CE1 3.58Å; Y498-H502 AromaticContact CD2-ND1 3.62Å; Y498-H502 HydrophobicContact CE1-CB 3.95Å; Y498-H502 AromaticContact CE1-CG 3.78Å; Y498-H502 AromaticContact CE2-CD2 3.78Å; Y498-H502 AromaticContact CE2-CE1 3.21Å; Y498-H502 WeakPolarHBondContact CE2-CE1 3.44Å; Y498-H502 AromaticContact CE2-CG 3.83Å; Y498-H502 AromaticContact CE2-ND1 3.46Å; Y498-H502 WeakPolarHBondContact CE2-ND1 3.39Å; Y498-H502 AromaticContact CE2-NE2 3.37Å; Y498-H502 WeakPolarHBondContact CE2-NE2 3.38Å; Y498-H502 AromaticContact CG-ND1 3.95Å; Y498-H502 AromaticContact CZ-CD2 3.48Å; Y498-H502 VanDerWaalsContact CZ-CD2 3.48Å; Y498-H502 AromaticContact CZ-CE1 3.73Å; Y498-H502 AromaticContact CZ-CG 3.52Å; Y498-H502 AromaticContact CZ-ND1 3.66Å; Y498-H502 AromaticContact CZ-NE2 3.59Å; Y498-H502 WeakPolarHBondContact O-CB 3.44Å; Y498-H502 PolarHBondContact O-N 2.95Å; Y498-H502 VanDerWaalsContact O-N 3.15Å; Y498-H502 PolarHBondContact O-ND1 3.24Å; Y498-H502 PolarHBondContact OH-CD2 3.29Å; Y498-H502 VanDerWaalsContact OH-CD2 3.23Å; Y498-H502 PolarHBondContact OH-NE2 3.04Å; E499-H502 CarbonylContact O-C 3.59Å; E499-H502 PolarHBondContact O-N 3.2Å; H502-G504 PolarHBondContact O-N 3.47Å
503	M	82.9	Confident	85	Confident	46 Å²	46	54.2 Å²	54.2	23%	0.227	30%	0.299	C	S	.	.			trans	-70.8	-27.2	-174.6	-58.8	-175.2	61.7	0	0	113.9	F293 E499 N505 F506 L508	F293-M503 HydrophobicContact CD1-CE 4.3Å; F293-M503 HydrophobicContact CE1-CE 4.11Å; E499-M503 WeakPolarHBondContact O-CG 3.24Å; E499-M503 PolarHBondContact O-N 2.78Å; M503-N505 PolarHBondContact O-N 2.92Å; M503-F506 WeakPolarHBondContact O-CB 3.27Å; M503-F506 PolarHBondContact O-N 3.47Å; M503-L508 HydrophobicContact CE-CB 3.93Å; M503-L508 VanDerWaalsContact CE-N 3.31Å
504	G	85.3	Confident	84.7	Confident	35 Å²	35	56.4 Å²	56.4	36%	0.361	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-129.9	-174	0	0	0	0	0	111.3	H502 F506	H502-G504 PolarHBondContact O-N 3.47Å; G504-F506 VanDerWaalsContact C-N 3.3Å
505	N	88.5	Confident	84.3	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.1	175.3	-54.3	-87	0	0	0	113.6	L64 I65 F295 K296 D444 M503	L64-N505 HydrophobicContact CD1-CB 4.4Å; I65-N505 PolarHBondContact N-OD1 3.09Å; I65-N505 PolarHBondContact O-ND2 3.38Å; F295-N505 HydrophobicContact CD2-CB 4.14Å; F295-N505 HydrophobicContact CE2-CB 3.51Å; F295-N505 HydrophobicContact CZ-CB 3.76Å; K296-N505 VanDerWaalsContact CB-O 3.3Å; K296-N505 WeakPolarHBondContact CB-O 3.26Å; K296-N505 WeakPolarHBondContact CG-O 3.48Å; K296-N505 PolarHBondContact N-O 3.17Å; D444-N505 WeakPolarHBondContact OD2-CB 3.26Å; D444-N505 PolarHBondContact OD2-N 3.39Å; D444-N505 PolarHBondContact OD2-ND2 2.96Å; M503-N505 PolarHBondContact O-N 2.92Å
506	F	92.5	Very high	84	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.022	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	151.4	173.1	-74.4	-82.2	0	0	0	112.5	L283 F293 V294 F295 M441 D444 T445 L448 M503 G504	L283-F506 HydrophobicContact CB-CD1 4.2Å; L283-F506 HydrophobicContact CB-CE1 3.56Å; L283-F506 HydrophobicContact CB-CZ 3.86Å; L283-F506 HydrophobicContact CD2-CD2 4.47Å; L283-F506 HydrophobicContact CD2-CE1 4.27Å; L283-F506 HydrophobicContact CD2-CE2 4.03Å; L283-F506 HydrophobicContact CD2-CZ 3.92Å; F293-F506 HydrophobicContact CB-CB 4.07Å; F293-F506 HydrophobicContact CB-CD1 3.77Å; F293-F506 HydrophobicContact CB-CG 4.17Å; F293-F506 HydrophobicContact CD1-CB 4.12Å; V294-F506 CarbonylContact O-C 3.59Å; V294-F506 WeakPolarHBondContact O-CA 3.28Å; F295-F506 HydrophobicContact CB-CD1 4.13Å; F295-F506 HydrophobicContact CB-CE1 3.89Å; F295-F506 HydrophobicContact CD2-CD1 4.04Å; F295-F506 HydrophobicContact CD2-CD2 4.04Å; F295-F506 AromaticContact CD2-CE1 3.85Å; F295-F506 HydrophobicContact CD2-CE1 3.85Å; F295-F506 AromaticContact CD2-CE2 3.85Å; F295-F506 HydrophobicContact CD2-CE2 3.85Å; F295-F506 HydrophobicContact CD2-CG 4.13Å; F295-F506 AromaticContact CD2-CZ 3.75Å; F295-F506 HydrophobicContact CD2-CZ 3.75Å; F295-F506 HydrophobicContact CE2-CD2 4.48Å; F295-F506 HydrophobicContact CE2-CE2 4.26Å; F295-F506 HydrophobicContact CE2-CZ 4.5Å; F295-F506 HydrophobicContact CG-CE1 4.35Å; M441-F506 HydrophobicContact CG-CZ 4.05Å; D444-F506 HydrophobicContact CB-CD2 3.69Å; D444-F506 HydrophobicContact CB-CE2 3.65Å; T445-F506 WeakPolarHBondContact OG1-CZ 3.42Å; L448-F506 HydrophobicContact CD1-CB 4.06Å; L448-F506 HydrophobicContact CD1-CD2 3.62Å; L448-F506 HydrophobicContact CD1-CE2 4.3Å; L448-F506 HydrophobicContact CD1-CG 3.99Å; M503-F506 WeakPolarHBondContact O-CB 3.27Å; M503-F506 PolarHBondContact O-N 3.47Å; G504-F506 VanDerWaalsContact C-N 3.3Å
507	R	92.2	Very high	83.9	Confident	57 Å²	57	64.2 Å²	64.2	22%	0.215	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	168.5	63.5	-169.4	-174.4	76.1	8.8	110.7	F293 V294 D369	F293-R507 CarbonylContact C-O 3.59Å; F293-R507 VanDerWaalsContact CA-O 3.27Å; F293-R507 WeakPolarHBondContact CA-O 3.48Å; V294-R507 HydrophobicContact CB-CG 4.23Å; V294-R507 PolarHBondContact N-O 2.9Å; V294-R507 PolarHBondContact O-N 3.48Å; D369-R507 IonicContact OD1-CZ 2.73Å; D369-R507 IonicContact OD1-NH1 2.68Å; D369-R507 PolarHBondContact OD1-NH1 3.41Å; D369-R507 IonicContact OD1-NH2 2.75Å; D369-R507 PolarHBondContact OD1-NH2 3.06Å; D369-R507 IonicContact OD2-CZ 2.71Å; D369-R507 IonicContact OD2-NH1 2.67Å; D369-R507 PolarHBondContact OD2-NH1 2.86Å; D369-R507 IonicContact OD2-NH2 3.8Å; D369-R507 PolarHBondContact OD2-NH2 3.11Å
508	L	92	Very high	83.8	Confident	55 Å²	55	57 Å²	57	29%	0.288	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126	178.2	-175.4	77.7	0	0	0	109.2	F293 M503 Y510	F293-L508 HydrophobicContact CD1-CB 4.29Å; F293-L508 HydrophobicContact CD1-CD1 4.19Å; F293-L508 HydrophobicContact CD2-CD1 4.25Å; F293-L508 HydrophobicContact CE1-CB 4.1Å; F293-L508 HydrophobicContact CE1-CD1 3.72Å; F293-L508 HydrophobicContact CE2-CD1 3.76Å; F293-L508 HydrophobicContact CG-CD1 4.43Å; F293-L508 HydrophobicContact CZ-CD1 3.48Å; F293-L508 VanDerWaalsContact CZ-CD1 3.48Å; M503-L508 HydrophobicContact CE-CB 3.93Å; M503-L508 VanDerWaalsContact CE-N 3.31Å; L508-Y510 WeakPolarHBondContact CD1-O 3.36Å
509	I	91.6	Very high	83.5	Confident	6 Å²	6	58 Å²	58	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-22.1	178.1	59.5	155.3	0	0	0	113.1	L292 V294 D369 I372 I373	L292-I509 HydrophobicContact CB-CD1 4.07Å; L292-I509 HydrophobicContact CB-CG1 3.7Å; L292-I509 HydrophobicContact CD1-CD1 4.46Å; L292-I509 WeakPolarHBondContact O-CG1 3.15Å; L292-I509 PolarHBondContact O-N 3.09Å; V294-I509 HydrophobicContact CB-CG2 4.1Å; V294-I509 HydrophobicContact CG2-CB 4.37Å; V294-I509 HydrophobicContact CG2-CD1 3.48Å; V294-I509 VanDerWaalsContact CG2-CD1 3.48Å; V294-I509 HydrophobicContact CG2-CG1 3.88Å; V294-I509 HydrophobicContact CG2-CG2 3.64Å; D369-I509 HydrophobicContact CB-CG2 4.41Å; I372-I509 HydrophobicContact CB-CD1 4.23Å; I372-I509 HydrophobicContact CG2-CD1 3.63Å; I373-I509 HydrophobicContact CD1-CB 4.49Å; I373-I509 WeakPolarHBondContact CD1-O 3.23Å; I373-I509 HydrophobicContact CG1-CD1 3.94Å
510	Y	89	Confident	83.1	Confident	18 Å²	18	60.7 Å²	60.7	7%	0.071	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.1	173.3	-165.6	-81.1	0	0	0	110.1	L290 R291 L292 I373 L508 L515 Y518	L290-Y510 HydrophobicContact CB-CD1 4Å; L290-Y510 HydrophobicContact CB-CE1 3.84Å; L290-Y510 HydrophobicContact CD2-CD1 3.86Å; L290-Y510 HydrophobicContact CD2-CE1 3.86Å; L290-Y510 HydrophobicContact CD2-CG 4.37Å; L290-Y510 HydrophobicContact CG-CD1 3.71Å; L290-Y510 HydrophobicContact CG-CE1 3.95Å; L290-Y510 HydrophobicContact CG-CG 4.49Å; L290-Y510 WeakPolarHBondContact O-CD1 3.32Å; R291-Y510 WeakPolarHBondContact CA-O 3.34Å; L292-Y510 PolarHBondContact N-O 3.13Å; L292-Y510 PolarHBondContact O-N 3.3Å; I373-Y510 HydrophobicContact CG2-CD2 3.88Å; I373-Y510 HydrophobicContact CG2-CE2 4.39Å; L508-Y510 WeakPolarHBondContact CD1-O 3.36Å; Y510-L515 HydrophobicContact CE1-CD1 4.35Å; Y510-L515 HydrophobicContact CE2-CD1 4.02Å; Y510-Y518 HydrophobicContact CD2-CD2 4.49Å; Y510-Y518 HydrophobicContact CE2-CD2 4.33Å; Y510-Y518 HydrophobicContact CE2-CG 4.31Å
511	P	85.2	Confident	83	Confident	37 Å²	37	56.1 Å²	56.1	24%	0.24	31%	0.309	C	S	.	.	S	Bend	cis	-64.4	138.4	-1.8	27.7	-35.6	0	0	0	112.4	L515	P511-L515 HydrophobicContact CB-CD1 3.91Å
512	S	76.1	Confident	82.5	Confident	44 Å²	44	54.4 Å²	54.4	31%	0.308	29%	0.294	S	S	.	.			trans	-95.5	163.3	172.4	-179	0	0	0	0	109.8	D514 L515	S512-D514 PolarHBondContact O-N 3.47Å; S512-L515 PolarHBondContact O-N 3.3Å
513	N	71.7	Confident	81.5	Confident	165 Å²	165	58.4 Å²	58.4	88%	0.882	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.8	171.8	-64.5	-24.8	0	0	0	111.1	L515	N513-L515 PolarHBondContact O-N 3.2Å
514	D	73.6	Confident	80.4	Confident	103 Å²	103	57.3 Å²	57.3	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	47.6	179.7	-61.2	-20.7	0	0	0	112.2	S512 E516 K517	S512-D514 PolarHBondContact O-N 3.47Å; D514-E516 PolarHBondContact O-N 2.62Å; D514-E516 VanDerWaalsContact O-N 3.16Å; D514-K517 HydrophobicContact CB-CB 4.22Å; D514-K517 VanDerWaalsContact O-CB 3.25Å; D514-K517 WeakPolarHBondContact O-CB 3.45Å; D514-K517 PolarHBondContact O-N 3.3Å
515	L	74.9	Confident	78.9	Confident	70 Å²	70	59.1 Å²	59.1	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-31.8	-175.6	-163.6	69.2	0	0	0	112.6	Y510 P511 S512 N513 K517 Y518 S519	Y510-L515 HydrophobicContact CE1-CD1 4.35Å; Y510-L515 HydrophobicContact CE2-CD1 4.02Å; P511-L515 HydrophobicContact CB-CD1 3.91Å; S512-L515 PolarHBondContact O-N 3.3Å; N513-L515 PolarHBondContact O-N 3.2Å; L515-K517 VanDerWaalsContact C-N 3.32Å; L515-K517 PolarHBondContact O-N 3.41Å; L515-Y518 PolarHBondContact O-N 2.93Å; L515-S519 PolarHBondContact O-N 3.2Å; L515-S519 VanDerWaalsContact O-N 3.08Å
516	E	75.3	Confident	76.9	Confident	173 Å²	173	62.5 Å²	62.5	81%	0.808	35%	0.347	S	S	*	.	H	α-helix	trans	-59.3	-39.4	176.5	-62.3	-171.5	173.4	0	0	112.4	D514 Y518 S519	D514-E516 PolarHBondContact O-N 2.62Å; D514-E516 VanDerWaalsContact O-N 3.16Å; E516-Y518 VanDerWaalsContact C-N 3.28Å; E516-Y518 PolarHBondContact O-N 2.79Å; E516-S519 WeakPolarHBondContact O-CB 3.44Å; E516-S519 PolarHBondContact O-N 2.9Å; E516-S519 PolarHBondContact O-OG 3.18Å
517	K	81.5	Confident	75.3	Confident	91 Å²	91	64.3 Å²	64.3	40%	0.396	36%	0.358	S	S	.	.	H	α-helix	trans	-55	-44.2	178.4	-176.2	-170.7	174.1	-160.8	0	111.6	D370 D514 L515 S520	D370-K517 VanDerWaalsContact OD1-CE 3.25Å; D370-K517 WeakPolarHBondContact OD1-CE 3.45Å; D370-K517 IonicContact OD1-NZ 2.8Å; D370-K517 PolarHBondContact OD1-NZ 3.36Å; D514-K517 HydrophobicContact CB-CB 4.22Å; D514-K517 VanDerWaalsContact O-CB 3.25Å; D514-K517 WeakPolarHBondContact O-CB 3.45Å; D514-K517 PolarHBondContact O-N 3.3Å; L515-K517 VanDerWaalsContact C-N 3.32Å; L515-K517 PolarHBondContact O-N 3.41Å; K517-S520 PolarHBondContact O-OG 3.34Å
518	Y	84.5	Confident	73.6	Confident	10 Å²	10	62.5 Å²	62.5	4%	0.039	35%	0.352	C	S	.	.	H	α-helix	trans	-88.6	-17	-176	-58	-68.6	0	0	0	113.6	I373 L377 Y510 L515 E516 S520 F521	I373-Y518 HydrophobicContact CB-CD1 4.42Å; I373-Y518 HydrophobicContact CB-CE1 4.09Å; I373-Y518 HydrophobicContact CD1-CE1 4.26Å; I373-Y518 HydrophobicContact CD1-CE2 4.03Å; I373-Y518 HydrophobicContact CG2-CD1 3.51Å; I373-Y518 HydrophobicContact CG2-CD2 4.44Å; I373-Y518 HydrophobicContact CG2-CE1 3.66Å; I373-Y518 HydrophobicContact CG2-CG 3.94Å; L377-Y518 HydrophobicContact CD1-CD1 4.17Å; Y510-Y518 HydrophobicContact CD2-CD2 4.49Å; Y510-Y518 HydrophobicContact CE2-CD2 4.33Å; Y510-Y518 HydrophobicContact CE2-CG 4.31Å; L515-Y518 PolarHBondContact O-N 2.93Å; E516-Y518 VanDerWaalsContact C-N 3.28Å; E516-Y518 PolarHBondContact O-N 2.79Å; Y518-S520 PolarHBondContact O-N 3.07Å; Y518-F521 HydrophobicContact CD1-CD2 4.26Å; Y518-F521 HydrophobicContact CD1-CE2 4.32Å; Y518-F521 PolarHBondContact O-N 2.94Å
519	S	77.2	Confident	72.2	Confident	59 Å²	59	66 Å²	66	41%	0.413	36%	0.362	S	S	.	.	H	α-helix	trans	-55.3	-39.2	-178.6	72.1	0	0	0	0	113.1	L515 E516 F521 L522	L515-S519 PolarHBondContact O-N 3.2Å; L515-S519 VanDerWaalsContact O-N 3.08Å; E516-S519 WeakPolarHBondContact O-CB 3.44Å; E516-S519 PolarHBondContact O-N 2.9Å; E516-S519 PolarHBondContact O-OG 3.18Å; S519-F521 PolarHBondContact O-N 3.4Å; S519-L522 PolarHBondContact O-N 3.29Å
520	S	78.6	Confident	70.7	Confident	61 Å²	61	71.7 Å²	71.7	43%	0.427	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.1	178.4	64.6	0	0	0	0	113.8	K517 Y518	K517-S520 PolarHBondContact O-OG 3.34Å; Y518-S520 PolarHBondContact O-N 3.07Å
521	F	80.5	Confident	69.4	Low	5 Å²	5	73.7 Å²	73.7	2%	0.022	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8	-177.2	-47.6	-47.4	0	0	0	113.5	M195 F199 D202 Y203 K374 L377 Y518 S519 P524	M195-F521 HydrophobicContact CE-CB 4.14Å; F199-F521 HydrophobicContact CB-CE1 4.12Å; F199-F521 AromaticContact CD1-CD1 3.96Å; F199-F521 HydrophobicContact CD1-CD1 3.96Å; F199-F521 AromaticContact CD1-CE1 3.67Å; F199-F521 HydrophobicContact CD1-CE1 3.67Å; F199-F521 AromaticContact CD2-CD1 3.79Å; F199-F521 HydrophobicContact CD2-CD1 3.79Å; F199-F521 HydrophobicContact CD2-CE1 4.13Å; F199-F521 AromaticContact CE1-CD1 3.98Å; F199-F521 HydrophobicContact CE1-CD1 3.98Å; F199-F521 HydrophobicContact CE1-CE1 4.05Å; F199-F521 AromaticContact CE2-CD1 3.82Å; F199-F521 HydrophobicContact CE2-CD1 3.82Å; F199-F521 HydrophobicContact CE2-CE1 4.48Å; F199-F521 AromaticContact CG-CD1 3.86Å; F199-F521 HydrophobicContact CG-CD1 3.86Å; F199-F521 AromaticContact CG-CE1 3.71Å; F199-F521 HydrophobicContact CG-CE1 3.71Å; F199-F521 AromaticContact CZ-CD1 3.91Å; F199-F521 HydrophobicContact CZ-CD1 3.91Å; F199-F521 HydrophobicContact CZ-CE1 4.43Å; D202-F521 HydrophobicContact CB-CE1 4.23Å; D202-F521 HydrophobicContact CB-CZ 3.85Å; Y203-F521 HydrophobicContact CD2-CE1 4.46Å; Y203-F521 AromaticContact CE2-CD1 3.75Å; Y203-F521 HydrophobicContact CE2-CD1 3.75Å; Y203-F521 HydrophobicContact CE2-CD2 4.28Å; Y203-F521 AromaticContact CE2-CE1 3.9Å; Y203-F521 HydrophobicContact CE2-CE1 3.9Å; Y203-F521 HydrophobicContact CE2-CE2 4.43Å; Y203-F521 AromaticContact CE2-CG 3.95Å; Y203-F521 HydrophobicContact CE2-CG 3.95Å; Y203-F521 HydrophobicContact CE2-CZ 4.26Å; K374-F521 HydrophobicContact CG-CD2 4.48Å; K374-F521 HydrophobicContact CG-CE2 4.34Å; L377-F521 HydrophobicContact CD1-CB 4.12Å; L377-F521 HydrophobicContact CD1-CD2 4.25Å; Y518-F521 HydrophobicContact CD1-CD2 4.26Å; Y518-F521 HydrophobicContact CD1-CE2 4.32Å; Y518-F521 PolarHBondContact O-N 2.94Å; S519-F521 PolarHBondContact O-N 3.4Å; F521-P524 WeakPolarHBondContact O-CD 3.31Å
522	L	74.5	Confident	68.5	Low	45 Å²	45	73.4 Å²	73.4	24%	0.236	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-26.1	-179.7	-69.9	169.2	0	0	0	113.6	L377 Y380 S519	L377-L522 HydrophobicContact CD2-CD2 3.47Å; L377-L522 VanDerWaalsContact CD2-CD2 3.47Å; L377-L522 HydrophobicContact CD2-CG 4.31Å; Y380-L522 HydrophobicContact CD1-CD2 3.77Å; Y380-L522 HydrophobicContact CE1-CD2 3.56Å; S519-L522 PolarHBondContact O-N 3.29Å
523	N	64	Low	67.9	Low	134 Å²	134	75.5 Å²	75.5	72%	0.717	41%	0.407	S	S	*	.			trans	-105.4	19	-167.9	-69.8	-16.3	0	0	0	118.4	T525	N523-T525 PolarHBondContact O-N 2.82Å
524	P	59.1	Low	67.8	Low	24 Å²	24	70.4 Å²	70.4	16%	0.156	38%	0.382	C	S	.	.			trans	-77.3	41.3	178.4	36.3	-37.9	0	0	0	113	R194 M195 L198 F521	R194-P524 PolarHBondContact NH2-O 3.36Å; M195-P524 HydrophobicContact CE-CG 4.27Å; M195-P524 HydrophobicContact SD-CG 4.13Å; L198-P524 HydrophobicContact CD1-CB 3.92Å; F521-P524 WeakPolarHBondContact O-CD 3.31Å
525	T	54.1	Low	67.6	Low	73 Å²	73	67.6 Å²	67.6	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-67.5	-42	-169.3	-43.1	0	0	0	0	112.5	N523 T527 F528	N523-T525 PolarHBondContact O-N 2.82Å; T525-T527 PolarHBondContact O-N 2.95Å; T525-F528 PolarHBondContact O-N 3.36Å
526	A	46.6	Very low	67.6	Low	78 Å²	78	70.8 Å²	70.8	65%	0.645	38%	0.375	S	S	*	.	H	α-helix	trans	-61.9	-40.1	-173.6	0	0	0	0	0	113.5
527	T	58.8	Low	67.4	Low	43 Å²	43	67 Å²	67	26%	0.264	36%	0.364	S	S	.	.	H	α-helix	trans	-83.7	-8.6	-179.1	48.7	0	0	0	0	113.7	R194 T525 E531	R194-T527 VanDerWaalsContact NH2-C 3.31Å; R194-T527 PolarHBondContact NH2-OG1 2.92Å; T525-T527 PolarHBondContact O-N 2.95Å; T527-E531 WeakPolarHBondContact O-CB 3.23Å; T527-E531 PolarHBondContact O-N 2.96Å
528	F	57.8	Low	67	Low	19 Å²	19	68.4 Å²	68.4	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-65.5	-53.9	-176.3	-167.1	-75.7	0	0	0	111.6	R194 I382 T525 T532	R194-F528 VanDerWaalsContact NH2-N 3.13Å; I382-F528 HydrophobicContact CD1-CD2 4.49Å; I382-F528 HydrophobicContact CD1-CE1 3.9Å; I382-F528 HydrophobicContact CD1-CE2 3.46Å; I382-F528 VanDerWaalsContact CD1-CE2 3.46Å; I382-F528 HydrophobicContact CD1-CZ 3.13Å; I382-F528 HydrophobicContact CG1-CD1 4.41Å; I382-F528 HydrophobicContact CG1-CD2 4.23Å; I382-F528 HydrophobicContact CG1-CE1 3.83Å; I382-F528 HydrophobicContact CG1-CE2 3.64Å; I382-F528 HydrophobicContact CG1-CZ 3.47Å; I382-F528 VanDerWaalsContact CG1-CZ 3.47Å; T525-F528 PolarHBondContact O-N 3.36Å; F528-T532 WeakPolarHBondContact CE1-OG1 3.47Å; F528-T532 VanDerWaalsContact O-CB 3.26Å; F528-T532 WeakPolarHBondContact O-CB 3.45Å; F528-T532 PolarHBondContact O-N 3.26Å; F528-T532 PolarHBondContact O-OG1 3.07Å
529	Y	61.3	Low	66.4	Low	128 Å²	128	69.5 Å²	69.5	50%	0.502	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-42.4	-178.9	-61.2	-78.2	0	0	0	111.2	T532 V533	Y529-T532 PolarHBondContact O-N 2.98Å; Y529-V533 WeakPolarHBondContact O-CB 3.4Å; Y529-V533 VanDerWaalsContact O-CG2 3.32Å; Y529-V533 WeakPolarHBondContact O-CG2 3.36Å; Y529-V533 PolarHBondContact O-N 3.29Å
530	Q	59.7	Low	66.2	Low	125 Å²	125	70.4 Å²	70.4	58%	0.584	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-48.5	178.4	-64.6	-179.7	-8.5	0	0	112.6	V533 T534	Q530-V533 PolarHBondContact O-N 3.06Å; Q530-T534 WeakPolarHBondContact O-CB 3.39Å; Q530-T534 PolarHBondContact O-N 2.7Å; Q530-T534 PolarHBondContact O-OG1 3.04Å
531	E	61.5	Low	66.1	Low	60 Å²	60	71.2 Å²	71.2	28%	0.28	38%	0.378	S	S	.	.	H	α-helix	trans	-72.9	-30.8	179.2	-71.3	-175.8	-102.4	0	0	112.5	R194 T527 T534 Y535	R194-E531 WeakPolarHBondContact CD-OE1 3.43Å; R194-E531 VanDerWaalsContact CG-OE1 3.31Å; R194-E531 WeakPolarHBondContact CG-OE1 3.31Å; R194-E531 IonicContact CZ-OE1 3.11Å; R194-E531 IonicContact NE-OE1 3.83Å; R194-E531 PolarHBondContact NE-OE1 2.93Å; T527-E531 WeakPolarHBondContact O-CB 3.23Å; T527-E531 PolarHBondContact O-N 2.96Å; E531-T534 PolarHBondContact O-N 3.01Å; E531-Y535 WeakPolarHBondContact O-CB 3.38Å; E531-Y535 PolarHBondContact O-N 3.04Å
532	T	68.2	Low	65.8	Low	32 Å²	32	71.9 Å²	71.9	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-66.6	-43.7	173.2	-62.3	0	0	0	0	111.8	F528 Y529 Y535 K536	F528-T532 WeakPolarHBondContact CE1-OG1 3.47Å; F528-T532 VanDerWaalsContact O-CB 3.26Å; F528-T532 WeakPolarHBondContact O-CB 3.45Å; F528-T532 PolarHBondContact O-N 3.26Å; F528-T532 PolarHBondContact O-OG1 3.07Å; Y529-T532 PolarHBondContact O-N 2.98Å; T532-Y535 PolarHBondContact O-N 2.83Å; T532-K536 WeakPolarHBondContact O-CG 3.46Å; T532-K536 PolarHBondContact O-N 2.95Å
533	V	61.9	Low	65.9	Low	87 Å²	87	73.6 Å²	73.6	53%	0.527	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-45.7	171.5	169.3	0	0	0	0	110.1	Y529 Q530 Y535 K536 V537	Y529-V533 WeakPolarHBondContact O-CB 3.4Å; Y529-V533 VanDerWaalsContact O-CG2 3.32Å; Y529-V533 WeakPolarHBondContact O-CG2 3.36Å; Y529-V533 PolarHBondContact O-N 3.29Å; Q530-V533 PolarHBondContact O-N 3.06Å; V533-Y535 PolarHBondContact O-N 3.37Å; V533-K536 PolarHBondContact O-N 2.84Å; V533-V537 HydrophobicContact CG1-CG2 4.4Å; V533-V537 WeakPolarHBondContact O-CG2 3.25Å; V533-V537 PolarHBondContact O-N 3.12Å
534	T	70.6	Confident	66.5	Low	59 Å²	59	72.6 Å²	72.6	36%	0.362	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-40.8	178.6	-53.9	0	0	0	0	112.1	Q530 E531 V537 R538	Q530-T534 WeakPolarHBondContact O-CB 3.39Å; Q530-T534 PolarHBondContact O-N 2.7Å; Q530-T534 PolarHBondContact O-OG1 3.04Å; E531-T534 PolarHBondContact O-N 3.01Å; T534-V537 PolarHBondContact O-N 2.7Å; T534-R538 VanDerWaalsContact CG2-NH2 3.31Å; T534-R538 WeakPolarHBondContact O-CG 3.13Å; T534-R538 PolarHBondContact O-N 2.91Å
535	Y	69.9	Low	67.4	Low	44 Å²	44	76 Å²	76	17%	0.173	40%	0.395	C	S	.	.	H	α-helix	trans	-66.1	-43.1	174.3	179.9	-95.1	0	0	0	112	R190 E531 T532 V533 V537 R538 S539	R190-Y535 HydrophobicContact CG-CD2 4.26Å; R190-Y535 HydrophobicContact CG-CE2 4.27Å; E531-Y535 WeakPolarHBondContact O-CB 3.38Å; E531-Y535 PolarHBondContact O-N 3.04Å; T532-Y535 PolarHBondContact O-N 2.83Å; V533-Y535 PolarHBondContact O-N 3.37Å; Y535-V537 VanDerWaalsContact C-N 3.31Å; Y535-V537 PolarHBondContact O-N 2.98Å; Y535-R538 PolarHBondContact O-N 2.71Å; Y535-S539 WeakPolarHBondContact O-CB 3.42Å; Y535-S539 PolarHBondContact O-N 2.82Å
536	K	74.5	Confident	68.1	Low	137 Å²	137	75.5 Å²	75.5	60%	0.596	39%	0.385	S	S	*	.	H	α-helix	trans	-57.3	-45.3	173.8	-75.1	176.6	179.6	-178.5	0	111	T532 V533 S539 E540	T532-K536 WeakPolarHBondContact O-CG 3.46Å; T532-K536 PolarHBondContact O-N 2.95Å; V533-K536 PolarHBondContact O-N 2.84Å; K536-S539 PolarHBondContact O-N 3.22Å; K536-E540 VanDerWaalsContact O-CB 3.32Å; K536-E540 WeakPolarHBondContact O-CB 3.49Å; K536-E540 WeakPolarHBondContact O-CG 3.33Å; K536-E540 PolarHBondContact O-N 2.68Å
537	V	70.8	Confident	69.6	Low	94 Å²	94	75.4 Å²	75.4	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-61.9	-43.3	175.7	171.2	0	0	0	0	112.1	V533 T534 Y535 C541	V533-V537 HydrophobicContact CG1-CG2 4.4Å; V533-V537 WeakPolarHBondContact O-CG2 3.25Å; V533-V537 PolarHBondContact O-N 3.12Å; T534-V537 PolarHBondContact O-N 2.7Å; Y535-V537 VanDerWaalsContact C-N 3.31Å; Y535-V537 PolarHBondContact O-N 2.98Å; V537-C541 WeakPolarHBondContact O-CB 3.48Å; V537-C541 PolarHBondContact O-N 2.87Å
538	R	73.1	Confident	70.4	Confident	119 Å²	119	77.8 Å²	77.8	45%	0.449	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-43.8	174.6	-70.7	-175.5	-155.7	131.4	8.9	112.4	T534 Y535 C541 A542	T534-R538 VanDerWaalsContact CG2-NH2 3.31Å; T534-R538 WeakPolarHBondContact O-CG 3.13Å; T534-R538 PolarHBondContact O-N 2.91Å; Y535-R538 PolarHBondContact O-N 2.71Å; R538-C541 PolarHBondContact O-N 2.87Å; R538-A542 VanDerWaalsContact O-CB 3.27Å; R538-A542 WeakPolarHBondContact O-CB 3.27Å; R538-A542 PolarHBondContact O-N 3.35Å
539	S	71.9	Confident	71.3	Confident	34 Å²	34	80.7 Å²	80.7	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-64.7	-41.6	179.7	-171.4	0	0	0	0	111.7	Y535 K536 A542 R543	Y535-S539 WeakPolarHBondContact O-CB 3.42Å; Y535-S539 PolarHBondContact O-N 2.82Å; K536-S539 PolarHBondContact O-N 3.22Å; S539-A542 PolarHBondContact O-N 3.17Å; S539-R543 WeakPolarHBondContact O-CB 3.35Å; S539-R543 PolarHBondContact O-N 3.33Å
540	E	73.8	Confident	72	Confident	78 Å²	78	81.2 Å²	81.2	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-69.5	-42.4	175.1	-79	-63.5	113.7	0	0	112.6	K536 A542 R543 Q544	K536-E540 VanDerWaalsContact O-CB 3.32Å; K536-E540 WeakPolarHBondContact O-CB 3.49Å; K536-E540 WeakPolarHBondContact O-CG 3.33Å; K536-E540 PolarHBondContact O-N 2.68Å; E540-A542 VanDerWaalsContact C-N 3.33Å; E540-A542 PolarHBondContact O-N 3.05Å; E540-R543 WeakPolarHBondContact O-CA 3.25Å; E540-R543 WeakPolarHBondContact O-CB 3.42Å; E540-R543 PolarHBondContact O-N 2.86Å; E540-R543 VanDerWaalsContact O-N 3.07Å; E540-R543 IonicContact OE1-CZ 2.89Å; E540-R543 IonicContact OE1-NE 3.14Å; E540-R543 PolarHBondContact OE1-NE 3.32Å; E540-R543 IonicContact OE1-NH2 2.66Å; E540-R543 IonicContact OE2-CZ 3.88Å; E540-R543 VanDerWaalsContact OE2-CZ 3.31Å; E540-R543 IonicContact OE2-NE 2.68Å; E540-R543 PolarHBondContact OE2-NE 2.84Å; E540-R543 VanDerWaalsContact OE2-NE 3.11Å; E540-R543 IonicContact OE2-NH2 2.66Å; E540-R543 PolarHBondContact OE2-NH2 2.9Å; E540-Q544 VanDerWaalsContact O-CG 3.31Å; E540-Q544 WeakPolarHBondContact O-CG 3.49Å; E540-Q544 PolarHBondContact O-N 2.9Å
541	C	74.8	Confident	72.9	Confident	77 Å²	77	79.3 Å²	79.3	52%	0.52	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-45.3	172.1	-180	0	0	0	0	110.8	V537 R538 R543 Q544 L545	V537-C541 WeakPolarHBondContact O-CB 3.48Å; V537-C541 PolarHBondContact O-N 2.87Å; R538-C541 PolarHBondContact O-N 2.87Å; C541-R543 VanDerWaalsContact C-N 3.3Å; C541-R543 PolarHBondContact O-N 2.81Å; C541-Q544 PolarHBondContact O-N 3.26Å; C541-L545 WeakPolarHBondContact O-CB 3.42Å; C541-L545 PolarHBondContact O-N 2.66Å
542	A	74.2	Confident	73.8	Confident	20 Å²	20	81.4 Å²	81.4	17%	0.165	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-34	173.3	0	0	0	0	0	112.1	R538 S539 E540 R546	R538-A542 VanDerWaalsContact O-CB 3.27Å; R538-A542 WeakPolarHBondContact O-CB 3.27Å; R538-A542 PolarHBondContact O-N 3.35Å; S539-A542 PolarHBondContact O-N 3.17Å; E540-A542 VanDerWaalsContact C-N 3.33Å; E540-A542 PolarHBondContact O-N 3.05Å; A542-R546 WeakPolarHBondContact O-CB 3.34Å; A542-R546 VanDerWaalsContact O-CG 3.29Å; A542-R546 WeakPolarHBondContact O-CG 3.48Å; A542-R546 PolarHBondContact O-N 2.96Å; A542-R546 PolarHBondContact O-NH1 3.31Å
543	R	77.5	Confident	74.2	Confident	81 Å²	81	85.1 Å²	85.1	31%	0.306	41%	0.412	S	S	.	.	H	α-helix	trans	-67.3	-47.1	176.1	-173.5	-177.3	66.2	73.7	4	111	S539 E540 C541 L545 R546 E547	S539-R543 WeakPolarHBondContact O-CB 3.35Å; S539-R543 PolarHBondContact O-N 3.33Å; E540-R543 WeakPolarHBondContact O-CA 3.25Å; E540-R543 WeakPolarHBondContact O-CB 3.42Å; E540-R543 PolarHBondContact O-N 2.86Å; E540-R543 VanDerWaalsContact O-N 3.07Å; E540-R543 IonicContact OE1-CZ 2.89Å; E540-R543 IonicContact OE1-NE 3.14Å; E540-R543 PolarHBondContact OE1-NE 3.32Å; E540-R543 IonicContact OE1-NH2 2.66Å; E540-R543 IonicContact OE2-CZ 3.88Å; E540-R543 VanDerWaalsContact OE2-CZ 3.31Å; E540-R543 IonicContact OE2-NE 2.68Å; E540-R543 PolarHBondContact OE2-NE 2.84Å; E540-R543 VanDerWaalsContact OE2-NE 3.11Å; E540-R543 IonicContact OE2-NH2 2.66Å; E540-R543 PolarHBondContact OE2-NH2 2.9Å; C541-R543 VanDerWaalsContact C-N 3.3Å; C541-R543 PolarHBondContact O-N 2.81Å; R543-L545 VanDerWaalsContact C-N 3.34Å; R543-L545 PolarHBondContact O-N 2.86Å; R543-R546 PolarHBondContact O-N 3.14Å; R543-E547 WeakPolarHBondContact CG-OE1 3.3Å; R543-E547 IonicContact CZ-OE1 3.97Å; R543-E547 IonicContact CZ-OE2 3.16Å; R543-E547 IonicContact NH1-OE1 2.62Å; R543-E547 PolarHBondContact NH1-OE1 3.04Å; R543-E547 IonicContact NH1-OE2 3.59Å; R543-E547 PolarHBondContact NH1-OE2 3.12Å; R543-E547 WeakPolarHBondContact O-CB 3.39Å; R543-E547 WeakPolarHBondContact O-CG 3.35Å; R543-E547 PolarHBondContact O-N 3.09Å
544	Q	77.1	Confident	75	Confident	113 Å²	113	84.5 Å²	84.5	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.1	-68.6	169.1	18.1	0	0	111	E540 C541 E547 E548	E540-Q544 VanDerWaalsContact O-CG 3.31Å; E540-Q544 WeakPolarHBondContact O-CG 3.49Å; E540-Q544 PolarHBondContact O-N 2.9Å; C541-Q544 PolarHBondContact O-N 3.26Å; Q544-E547 PolarHBondContact O-N 3.19Å; Q544-E548 WeakPolarHBondContact O-CB 3.33Å; Q544-E548 PolarHBondContact O-N 3.45Å
545	L	77.2	Confident	75.4	Confident	94 Å²	94	88 Å²	88	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-40.5	174.3	-176.3	63.6	0	0	0	112.3	C541 R543 E548 I549	C541-L545 WeakPolarHBondContact O-CB 3.42Å; C541-L545 PolarHBondContact O-N 2.66Å; R543-L545 VanDerWaalsContact C-N 3.34Å; R543-L545 PolarHBondContact O-N 2.86Å; L545-E548 PolarHBondContact O-N 2.9Å; L545-I549 HydrophobicContact CD1-CD1 4.19Å; L545-I549 HydrophobicContact CD1-CG1 4.46Å; L545-I549 HydrophobicContact CG-CD1 3.97Å; L545-I549 WeakPolarHBondContact O-CB 3.44Å; L545-I549 VanDerWaalsContact O-CG1 3.22Å; L545-I549 WeakPolarHBondContact O-CG1 3.39Å; L545-I549 PolarHBondContact O-N 3.19Å
546	R	69.6	Low	75.9	Confident	64 Å²	64	91.2 Å²	91.2	24%	0.242	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-43.7	173.1	-77.1	-171.8	-50.3	-79.6	11.8	111.5	A542 R543 I549 R550	A542-R546 WeakPolarHBondContact O-CB 3.34Å; A542-R546 VanDerWaalsContact O-CG 3.29Å; A542-R546 WeakPolarHBondContact O-CG 3.48Å; A542-R546 PolarHBondContact O-N 2.96Å; A542-R546 PolarHBondContact O-NH1 3.31Å; R543-R546 PolarHBondContact O-N 3.14Å; R546-I549 PolarHBondContact O-N 3.38Å; R546-R550 VanDerWaalsContact O-CB 3.32Å; R546-R550 WeakPolarHBondContact O-CB 3.26Å; R546-R550 PolarHBondContact O-N 2.82Å
547	E	76.8	Confident	76.1	Confident	76 Å²	76	89.3 Å²	89.3	36%	0.355	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-40.4	177.5	-77.5	163.4	-162.8	0	0	111.7	R543 Q544 R550 L551	R543-E547 WeakPolarHBondContact CG-OE1 3.3Å; R543-E547 IonicContact CZ-OE1 3.97Å; R543-E547 IonicContact CZ-OE2 3.16Å; R543-E547 IonicContact NH1-OE1 2.62Å; R543-E547 PolarHBondContact NH1-OE1 3.04Å; R543-E547 IonicContact NH1-OE2 3.59Å; R543-E547 PolarHBondContact NH1-OE2 3.12Å; R543-E547 WeakPolarHBondContact O-CB 3.39Å; R543-E547 WeakPolarHBondContact O-CG 3.35Å; R543-E547 PolarHBondContact O-N 3.09Å; Q544-E547 PolarHBondContact O-N 3.19Å; E547-R550 PolarHBondContact O-N 2.68Å; E547-L551 VanDerWaalsContact O-CB 3.31Å; E547-L551 WeakPolarHBondContact O-CB 3.12Å; E547-L551 WeakPolarHBondContact O-CD1 3.38Å; E547-L551 WeakPolarHBondContact O-CG 3.16Å; E547-L551 PolarHBondContact O-N 3.21Å
548	E	75.7	Confident	76.5	Confident	93 Å²	93	90.3 Å²	90.3	44%	0.435	43%	0.431	S	S	.	.	H	α-helix	trans	-66.3	-41	174.9	-155.5	-153.6	177.9	0	0	112.3	Q544 L545 K552	Q544-E548 WeakPolarHBondContact O-CB 3.33Å; Q544-E548 PolarHBondContact O-N 3.45Å; L545-E548 PolarHBondContact O-N 2.9Å; E548-K552 WeakPolarHBondContact O-CB 3.38Å; E548-K552 VanDerWaalsContact O-CG 3.24Å; E548-K552 WeakPolarHBondContact O-CG 3.42Å; E548-K552 PolarHBondContact O-N 3.19Å; E548-K552 WeakPolarHBondContact OE1-CE 3.38Å; E548-K552 IonicContact OE1-NZ 3.8Å; E548-K552 PolarHBondContact OE1-NZ 3.05Å; E548-K552 IonicContact OE2-NZ 3.79Å; E548-K552 PolarHBondContact OE2-NZ 2.62Å
549	I	77.5	Confident	76.8	Confident	79 Å²	79	89.2 Å²	89.2	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-44.6	173.8	-71.1	167	0	0	0	110.6	L545 R546 K552 Q553	L545-I549 HydrophobicContact CD1-CD1 4.19Å; L545-I549 HydrophobicContact CD1-CG1 4.46Å; L545-I549 HydrophobicContact CG-CD1 3.97Å; L545-I549 WeakPolarHBondContact O-CB 3.44Å; L545-I549 VanDerWaalsContact O-CG1 3.22Å; L545-I549 WeakPolarHBondContact O-CG1 3.39Å; L545-I549 PolarHBondContact O-N 3.19Å; R546-I549 PolarHBondContact O-N 3.38Å; I549-K552 WeakPolarHBondContact O-CB 3.4Å; I549-K552 PolarHBondContact O-N 3.23Å; I549-Q553 WeakPolarHBondContact O-CG 3.24Å; I549-Q553 PolarHBondContact O-N 3.23Å
550	R	75.6	Confident	77	Confident	139 Å²	139	89.5 Å²	89.5	53%	0.525	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-45.2	178.5	-152.6	-165.8	85.8	-156.4	2	111.1	R546 E547 K552 Q553 E554	R546-R550 VanDerWaalsContact O-CB 3.32Å; R546-R550 WeakPolarHBondContact O-CB 3.26Å; R546-R550 PolarHBondContact O-N 2.82Å; E547-R550 PolarHBondContact O-N 2.68Å; R550-K552 VanDerWaalsContact C-N 3.3Å; R550-K552 PolarHBondContact O-N 3.08Å; R550-Q553 PolarHBondContact O-N 2.83Å; R550-E554 IonicContact CZ-OE1 3.23Å; R550-E554 IonicContact NE-OE1 3.86Å; R550-E554 PolarHBondContact NE-OE1 3.48Å; R550-E554 IonicContact NH2-OE1 2.7Å; R550-E554 PolarHBondContact NH2-OE1 2.77Å; R550-E554 IonicContact NH2-OE2 3.19Å; R550-E554 WeakPolarHBondContact O-CB 3.18Å; R550-E554 WeakPolarHBondContact O-CG 3.33Å; R550-E554 PolarHBondContact O-N 2.86Å
551	L	78.8	Confident	76.8	Confident	85 Å²	85	89.6 Å²	89.6	45%	0.445	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-31.1	175	-72.9	166.2	0	0	0	112.7	E547 K555	E547-L551 VanDerWaalsContact O-CB 3.31Å; E547-L551 WeakPolarHBondContact O-CB 3.12Å; E547-L551 WeakPolarHBondContact O-CD1 3.38Å; E547-L551 WeakPolarHBondContact O-CG 3.16Å; E547-L551 PolarHBondContact O-N 3.21Å; L551-K555 WeakPolarHBondContact O-CB 3.4Å; L551-K555 WeakPolarHBondContact O-CD 3.44Å; L551-K555 WeakPolarHBondContact O-CG 3.43Å; L551-K555 PolarHBondContact O-N 3.31Å; L551-K555 VanDerWaalsContact O-N 3.15Å
552	K	79.5	Confident	76.5	Confident	104 Å²	104	93.2 Å²	93.2	45%	0.452	45%	0.448	S	S	.	.	H	α-helix	trans	-70.9	-40.5	171.7	-75.8	166.7	-176.4	167.9	0	111.4	E548 I549 R550 K555 L556	E548-K552 WeakPolarHBondContact O-CB 3.38Å; E548-K552 VanDerWaalsContact O-CG 3.24Å; E548-K552 WeakPolarHBondContact O-CG 3.42Å; E548-K552 PolarHBondContact O-N 3.19Å; E548-K552 WeakPolarHBondContact OE1-CE 3.38Å; E548-K552 IonicContact OE1-NZ 3.8Å; E548-K552 PolarHBondContact OE1-NZ 3.05Å; E548-K552 IonicContact OE2-NZ 3.79Å; E548-K552 PolarHBondContact OE2-NZ 2.62Å; I549-K552 WeakPolarHBondContact O-CB 3.4Å; I549-K552 PolarHBondContact O-N 3.23Å; R550-K552 VanDerWaalsContact C-N 3.3Å; R550-K552 PolarHBondContact O-N 3.08Å; K552-K555 PolarHBondContact O-N 3.22Å; K552-L556 VanDerWaalsContact O-CG 3.28Å; K552-L556 WeakPolarHBondContact O-CG 3.44Å; K552-L556 PolarHBondContact O-N 3.25Å
553	Q	78	Confident	75.8	Confident	110 Å²	110	98 Å²	98	51%	0.514	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-50.8	175	-73	174	-43.7	0	0	111.5	I549 R550 K555 L556 D557	I549-Q553 WeakPolarHBondContact O-CG 3.24Å; I549-Q553 PolarHBondContact O-N 3.23Å; R550-Q553 PolarHBondContact O-N 2.83Å; Q553-K555 VanDerWaalsContact C-N 3.28Å; Q553-K555 PolarHBondContact O-N 2.85Å; Q553-L556 WeakPolarHBondContact O-CB 3.43Å; Q553-L556 PolarHBondContact O-N 3.34Å; Q553-D557 PolarHBondContact O-N 2.8Å
554	E	78.7	Confident	74.7	Confident	74 Å²	74	100.8 Å²	100.8	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-53.4	-43	174.5	-73.2	168.6	-171.7	0	0	112.1	R550 D557 L558	R550-E554 IonicContact CZ-OE1 3.23Å; R550-E554 IonicContact NE-OE1 3.86Å; R550-E554 PolarHBondContact NE-OE1 3.48Å; R550-E554 IonicContact NH2-OE1 2.7Å; R550-E554 PolarHBondContact NH2-OE1 2.77Å; R550-E554 IonicContact NH2-OE2 3.19Å; R550-E554 WeakPolarHBondContact O-CB 3.18Å; R550-E554 WeakPolarHBondContact O-CG 3.33Å; R550-E554 PolarHBondContact O-N 2.86Å; E554-D557 PolarHBondContact O-N 3.34Å; E554-L558 WeakPolarHBondContact O-CB 3.47Å; E554-L558 WeakPolarHBondContact O-CD1 3.22Å; E554-L558 WeakPolarHBondContact O-CG 3.32Å; E554-L558 PolarHBondContact O-N 3.46Å
555	K	79.3	Confident	73.4	Confident	134 Å²	134	102.8 Å²	102.8	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-64.8	-41.4	175	-77.4	172.2	-178.4	179.5	0	112.9	L551 K552 Q553 I559	L551-K555 WeakPolarHBondContact O-CB 3.4Å; L551-K555 WeakPolarHBondContact O-CD 3.44Å; L551-K555 WeakPolarHBondContact O-CG 3.43Å; L551-K555 PolarHBondContact O-N 3.31Å; L551-K555 VanDerWaalsContact O-N 3.15Å; K552-K555 PolarHBondContact O-N 3.22Å; Q553-K555 VanDerWaalsContact C-N 3.28Å; Q553-K555 PolarHBondContact O-N 2.85Å; K555-I559 WeakPolarHBondContact O-CD1 3.35Å; K555-I559 VanDerWaalsContact O-CG1 3.26Å; K555-I559 WeakPolarHBondContact O-CG1 3.48Å; K555-I559 PolarHBondContact O-N 3.17Å
556	L	79.9	Confident	72	Confident	110 Å²	110	102.3 Å²	102.3	58%	0.576	50%	0.495	S	S	*	.	H	α-helix	trans	-65.8	-41.3	176.8	-73.4	167	0	0	0	111.6	K552 Q553 I559 A560	K552-L556 VanDerWaalsContact O-CG 3.28Å; K552-L556 WeakPolarHBondContact O-CG 3.44Å; K552-L556 PolarHBondContact O-N 3.25Å; Q553-L556 WeakPolarHBondContact O-CB 3.43Å; Q553-L556 PolarHBondContact O-N 3.34Å; L556-I559 PolarHBondContact O-N 2.99Å; L556-A560 WeakPolarHBondContact O-CB 3.49Å; L556-A560 PolarHBondContact O-N 3.41Å
557	D	78.9	Confident	71	Confident	98 Å²	98	106.8 Å²	106.8	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-68.8	-37.6	177.5	-70	-34.5	0	0	0	112.1	Q553 E554 A560 N561	Q553-D557 PolarHBondContact O-N 2.8Å; E554-D557 PolarHBondContact O-N 3.34Å; D557-A560 PolarHBondContact O-N 3.38Å; D557-N561 WeakPolarHBondContact O-CB 3.24Å; D557-N561 VanDerWaalsContact O-CG 3.3Å; D557-N561 PolarHBondContact O-N 2.92Å; D557-N561 PolarHBondContact O-ND2 2.82Å
558	L	78.8	Confident	69.2	Low	114 Å²	114	107.9 Å²	107.9	60%	0.597	54%	0.535	S	S	*	.	H	α-helix	trans	-62.4	-40.7	171.5	-76.1	166.8	0	0	0	112.2	E554 K562	E554-L558 WeakPolarHBondContact O-CB 3.47Å; E554-L558 WeakPolarHBondContact O-CD1 3.22Å; E554-L558 WeakPolarHBondContact O-CG 3.32Å; E554-L558 PolarHBondContact O-N 3.46Å; L558-K562 WeakPolarHBondContact O-CG 3.25Å; L558-K562 PolarHBondContact O-N 3.25Å; L558-K562 VanDerWaalsContact O-N 3.09Å
559	I	79.3	Confident	67.5	Low	97 Å²	97	112 Å²	112	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-45.3	174.6	-69.9	163.5	0	0	0	110.5	K555 L556 N561 K562 H563	K555-I559 WeakPolarHBondContact O-CD1 3.35Å; K555-I559 VanDerWaalsContact O-CG1 3.26Å; K555-I559 WeakPolarHBondContact O-CG1 3.48Å; K555-I559 PolarHBondContact O-N 3.17Å; L556-I559 PolarHBondContact O-N 2.99Å; I559-N561 VanDerWaalsContact C-N 3.34Å; I559-N561 PolarHBondContact O-N 3.41Å; I559-K562 PolarHBondContact O-N 3.1Å; I559-H563 PolarHBondContact O-CD2 3.22Å; I559-H563 PolarHBondContact O-N 3.49Å; I559-H563 VanDerWaalsContact O-N 3.1Å
560	A	75.5	Confident	65.5	Low	40 Å²	40	113.9 Å²	113.9	33%	0.331	57%	0.574	S	S	.	*	H	α-helix	trans	-63.8	-36.7	179.2	0	0	0	0	0	112.7	L556 D557 K564	L556-A560 WeakPolarHBondContact O-CB 3.49Å; L556-A560 PolarHBondContact O-N 3.41Å; D557-A560 PolarHBondContact O-N 3.38Å; A560-K564 WeakPolarHBondContact O-CG 3.33Å; A560-K564 PolarHBondContact O-N 3.4Å
561	N	70.5	Confident	63.8	Low	80 Å²	80	112.9 Å²	112.9	43%	0.428	59%	0.586	S	S	.	*	H	α-helix	trans	-75.5	-36.2	177.8	-72.5	-22.3	0	0	0	112.4	D557 I559 H563 K564 Q565	D557-N561 WeakPolarHBondContact O-CB 3.24Å; D557-N561 VanDerWaalsContact O-CG 3.3Å; D557-N561 PolarHBondContact O-N 2.92Å; D557-N561 PolarHBondContact O-ND2 2.82Å; I559-N561 VanDerWaalsContact C-N 3.34Å; I559-N561 PolarHBondContact O-N 3.41Å; N561-H563 VanDerWaalsContact C-N 3.34Å; N561-H563 PolarHBondContact O-N 3.43Å; N561-K564 PolarHBondContact O-N 2.99Å; N561-K564 VanDerWaalsContact O-N 3.15Å; N561-Q565 PolarHBondContact O-N 2.97Å
562	K	68.5	Low	61.8	Low	153 Å²	153	113.5 Å²	113.5	67%	0.665	60%	0.603	S	S	*	*	H	α-helix	trans	-58.3	-44.7	169.5	-79	-172.2	175.1	-169.4	0	111.9	L558 I559 K564 Q565 S566	L558-K562 WeakPolarHBondContact O-CG 3.25Å; L558-K562 PolarHBondContact O-N 3.25Å; L558-K562 VanDerWaalsContact O-N 3.09Å; I559-K562 PolarHBondContact O-N 3.1Å; K562-K564 VanDerWaalsContact C-N 3.26Å; K562-K564 PolarHBondContact O-N 3.25Å; K562-Q565 PolarHBondContact O-N 2.66Å; K562-S566 PolarHBondContact O-N 2.68Å; K562-S566 PolarHBondContact O-OG 2.7Å
563	H	58.9	Low	59.9	Low	119 Å²	119	114 Å²	114	55%	0.551	62%	0.617	S	S	*	*	H	α-helix	trans	-66.5	-21.9	176.4	-82.3	-62.2	0	0	0	114.7	I559 N561 S566 Q567	I559-H563 PolarHBondContact O-CD2 3.22Å; I559-H563 PolarHBondContact O-N 3.49Å; I559-H563 VanDerWaalsContact O-N 3.1Å; N561-H563 VanDerWaalsContact C-N 3.34Å; N561-H563 PolarHBondContact O-N 3.43Å; H563-S566 PolarHBondContact O-OG 2.87Å; H563-Q567 WeakPolarHBondContact O-CG 3.19Å
564	K	54.7	Low	58	Low	141 Å²	141	119.1 Å²	119.1	61%	0.613	64%	0.637	S	S	*	*	H	α-helix	trans	-79	-40.1	171.7	-72.9	170.8	-173.9	165.4	0	112.3	A560 N561 K562 S566 Q567	A560-K564 WeakPolarHBondContact O-CG 3.33Å; A560-K564 PolarHBondContact O-N 3.4Å; N561-K564 PolarHBondContact O-N 2.99Å; N561-K564 VanDerWaalsContact O-N 3.15Å; K562-K564 VanDerWaalsContact C-N 3.26Å; K562-K564 PolarHBondContact O-N 3.25Å; K564-S566 VanDerWaalsContact C-N 3.29Å; K564-S566 PolarHBondContact O-N 3.29Å; K564-Q567 PolarHBondContact O-N 3.31Å
565	Q	49.7	Very low	56	Low	154 Å²	154	127.6 Å²	127.6	72%	0.72	67%	0.666	S	S	*	*	H	α-helix	trans	-70	-26.2	178	-73	178.9	-35.7	0	0	112.4	N561 K562 Q567	N561-Q565 PolarHBondContact O-N 2.97Å; K562-Q565 PolarHBondContact O-N 2.66Å; Q565-Q567 VanDerWaalsContact C-N 3.28Å; Q565-Q567 PolarHBondContact O-N 2.87Å
566	S	48.4	Very low	53.8	Low	85 Å²	85	129 Å²	129	59%	0.594	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	19.8	174.5	75.9	0	0	0	0	114.6	K562 H563 K564	K562-S566 PolarHBondContact O-N 2.68Å; K562-S566 PolarHBondContact O-OG 2.7Å; H563-S566 PolarHBondContact O-OG 2.87Å; K564-S566 VanDerWaalsContact C-N 3.29Å; K564-S566 PolarHBondContact O-N 3.29Å
567	Q	47.5	Very low	51.4	Low	157 Å²	157	135.3 Å²	135.3	73%	0.734	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	19.4	-179.1	-72.2	-167.3	-8.7	0	0	113.7	H563 K564 Q565	H563-Q567 WeakPolarHBondContact O-CG 3.19Å; K564-Q567 PolarHBondContact O-N 3.31Å; Q565-Q567 VanDerWaalsContact C-N 3.28Å; Q565-Q567 PolarHBondContact O-N 2.87Å
568	S	40.1	Very low	49.3	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	71%	0.706	S	S	*	*			trans	-100.3	39.9	178.2	60.5	0	0	0	0	113.6
569	E	39.2	Very low	47	Very low	179 Å²	179	141.4 Å²	141.4	84%	0.836	72%	0.718	S	S	*	*	S	Bend	trans	-148.5	137.4	171.7	-115.8	168.9	-143.6	0	0	110.7
570	S	35.9	Very low	44.9	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	73%	0.73	S	S	*	*	S	Bend	trans	65.6	151	-173.5	78.4	0	0	0	0	117.6
571	P	39.3	Very low	42.7	Very low	118 Å²	118	147.8 Å²	147.8	77%	0.766	75%	0.746	S	S	*	*			trans	-126.2	118.3	-158.8	33.8	-13.8	0	0	0	116.7
572	A	36.7	Very low	41.1	Very low	97 Å²	97	150.6 Å²	150.6	80%	0.802	77%	0.766	S	S	*	*			trans	62.6	168.6	143.1	0	0	0	0	0	120.3
573	P	40.9	Very low	39.5	Very low	116 Å²	116	145.4 Å²	145.4	75%	0.753	76%	0.756	S	S	*	*			cis	-129.5	151.9	-32.7	31.1	-14.5	0	0	0	114.5
574	K	37.5	Very low	38.4	Very low	216 Å²	216	144.5 Å²	144.5	94%	0.939	76%	0.755	S	S	*	*			trans	-167.4	83.2	145.2	-108.9	160.2	-172.7	173.8	0	111	L576	K574-L576 PolarHBondContact O-N 2.79Å
575	R	35.6	Very low	37.4	Very low	252 Å²	252	145.3 Å²	145.3	95%	0.951	77%	0.765	S	S	*	*			trans	-85.8	98.2	-178.2	-94.1	-174.5	169.9	174.9	-1.2	112.6
576	L	33.3	Very low	36.8	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	76%	0.758	S	S	*	*			trans	-75.3	118.8	156.3	-84.8	163.2	0	0	0	109.5	K574 I578	K574-L576 PolarHBondContact O-N 2.79Å; L576-I578 PolarHBondContact O-N 3.26Å
577	R	31.2	Very low	36.3	Very low	242 Å²	242	144.2 Å²	144.2	91%	0.913	76%	0.759	S	S	*	*			trans	-75.7	85.7	175.9	-94	-179	163.2	167.5	-4.4	110.8	K579	R577-K579 PolarHBondContact O-N 2.99Å
578	I	33.9	Very low	35.6	Very low	146 Å²	146	144.6 Å²	144.6	75%	0.749	76%	0.761	S	S	*	*			trans	-70	109.1	163.2	-60.5	179.4	0	0	0	108	L576 I580	L576-I578 PolarHBondContact O-N 3.26Å; I578-I580 HydrophobicContact CG2-CG1 4.42Å; I578-I580 PolarHBondContact O-N 3.21Å; I578-I580 VanDerWaalsContact O-N 3.1Å
579	K	30.6	Very low	35.3	Very low	194 Å²	194	147.6 Å²	147.6	84%	0.843	77%	0.769	S	S	*	*			trans	-70.6	98.5	167.3	-74.4	-179	177.4	176.4	0	108.4	R577 N581	R577-K579 PolarHBondContact O-N 2.99Å; K579-N581 PolarHBondContact O-N 3.18Å
580	I	34.1	Very low	35	Very low	144 Å²	144	144.5 Å²	144.5	74%	0.738	76%	0.755	S	S	*	*			trans	-66	106.6	171.2	-61.8	178.7	0	0	0	107.9	I578 T582	I578-I580 HydrophobicContact CG2-CG1 4.42Å; I578-I580 PolarHBondContact O-N 3.21Å; I578-I580 VanDerWaalsContact O-N 3.1Å; I580-T582 PolarHBondContact O-N 3.42Å
581	N	30.6	Very low	34.9	Very low	127 Å²	127	148.5 Å²	148.5	68%	0.679	76%	0.758	S	S	*	*			trans	-85.4	93.6	-174.2	-150.8	9.3	0	0	0	109	K579 G583	K579-N581 PolarHBondContact O-N 3.18Å; N581-G583 PolarHBondContact O-N 3.13Å
582	T	36.4	Very low	34.4	Very low	138 Å²	138	147.3 Å²	147.3	85%	0.847	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	13	-173.8	46.3	0	0	0	0	115.2	I580	I580-T582 PolarHBondContact O-N 3.42Å
583	G	35.2	Very low	34.3	Very low	44 Å²	44	149.6 Å²	149.6	45%	0.454	75%	0.751	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	-12.4	178.8	0	0	0	0	0	116.5	N581	N581-G583 PolarHBondContact O-N 3.13Å
584	L	36.6	Very low	33.7	Very low	100 Å²	100	151.6 Å²	151.6	52%	0.524	76%	0.755	S	S	.	*	G	3₁₀ helix	trans	-75.4	-28.6	-172.6	-97.2	77.5	0	0	0	114.7	S586 Q587	L584-S586 PolarHBondContact O-N 2.85Å; L584-Q587 PolarHBondContact O-N 3.4Å
585	L	33.7	Very low	33.4	Very low	158 Å²	158	149.2 Å²	149.2	83%	0.827	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-64.8	-11.2	-175.6	-131.9	77.1	0	0	0	114.1
586	S	36.6	Very low	33	Very low	81 Å²	81	145.3 Å²	145.3	57%	0.566	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-93.6	-1.5	175.7	-173.4	0	0	0	0	114.2	L584	L584-S586 PolarHBondContact O-N 2.85Å
587	Q	37.5	Very low	32.7	Very low	135 Å²	135	146 Å²	146	63%	0.631	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-16.1	-172.5	-67	-171.2	-16.5	0	0	114.8	L584	L584-Q587 PolarHBondContact O-N 3.4Å
588	Q	33	Very low	32.4	Very low	166 Å²	166	142 Å²	142	78%	0.776	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-0.4	-177.5	-71.3	170.5	-71.7	0	0	114.3
589	L	33.3	Very low	32.2	Very low	162 Å²	162	140.6 Å²	140.6	85%	0.848	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	27.8	171.1	-71.5	167.8	0	0	0	112.7
590	M	34	Very low	32	Very low	114 Å²	114	138.5 Å²	138.5	56%	0.562	74%	0.741	S	S	*	*			trans	-123.1	26.1	-171.9	-65.2	-86.4	172.6	0	0	112.8
591	K	32	Very low	31.6	Very low	204 Å²	204	138.7 Å²	138.7	89%	0.887	74%	0.743	S	S	*	*	S	Bend	trans	-143.9	54.9	-175.7	-73.5	-165.7	173.7	-173.5	0	114.3
592	S	30.1	Very low	31.6	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	75%	0.747	S	S	*	*	S	Bend	trans	-149	168.4	157.7	59.6	0	0	0	0	109.5
593	D	33.5	Very low	31.1	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	75%	0.749	S	S	*	*			trans	67.4	53.1	159.3	-41.4	-43.1	0	0	0	117.3
594	N	29.1	Very low	30.9	Very low	157 Å²	157	145.3 Å²	145.3	84%	0.84	77%	0.766	S	S	*	*			trans	-86.2	111.8	139.1	-80.7	-17.5	0	0	0	107.8
595	N	31.2	Very low	30.5	Very low	166 Å²	166	149 Å²	149	89%	0.888	79%	0.786	S	S	*	*			trans	-180	89.7	154.2	-93.4	-18.6	0	0	0	109.2	E597	N595-E597 PolarHBondContact O-N 3.2Å
596	D	28	Very low	30.3	Very low	171 Å²	171	147.9 Å²	147.9	91%	0.914	78%	0.779	S	S	*	*			trans	-81.3	100.4	169.6	-77.3	-56.7	0	0	0	110
597	E	25.7	Very low	30	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	79%	0.786	S	S	*	*			trans	-169	162.8	151.2	-118.6	176.4	-152.6	0	0	113.3	N595	N595-E597 PolarHBondContact O-N 3.2Å
598	I	26.4	Very low	29.7	Very low	156 Å²	156	151.1 Å²	151.1	80%	0.8	80%	0.798	S	S	*	*			trans	73.7	155.3	172.4	-31.6	-174	0	0	0	117
599	V	29.6	Very low	29.6	Very low	117 Å²	117	149.7 Å²	149.7	71%	0.709	80%	0.796	S	S	*	*			trans	84	78.1	167.7	-161.3	0	0	0	0	117.2
600	N	25.2	Very low	29.3	Very low	150 Å²	150	150.8 Å²	150.8	80%	0.802	79%	0.794	S	S	*	*			trans	-63.6	157.1	133.3	-88.4	-41.3	0	0	0	110.2
601	N	25.8	Very low	29.2	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	81%	0.807	S	S	*	*			trans	89.4	162.9	171.4	-55.3	-35.8	0	0	0	118.3
602	S	30.5	Very low	29	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	80%	0.801	S	S	*	*			trans	84.9	87.6	163.3	-58.1	0	0	0	0	118.2	Q604	S602-Q604 PolarHBondContact O-N 3.34Å
603	N	25.2	Very low	28.8	Very low	166 Å²	166	154.8 Å²	154.8	89%	0.888	82%	0.815	S	S	*	*			trans	-58.6	110.7	149.5	-68.3	-36.4	0	0	0	109.9
604	Q	32	Very low	28.6	Very low	173 Å²	173	155.4 Å²	155.4	81%	0.808	82%	0.819	S	S	*	*			trans	-162.3	119.6	157.4	-115.3	165.7	72.2	0	0	111.2	S602	S602-Q604 PolarHBondContact O-N 3.34Å
605	L	29.2	Very low	28.4	Very low	178 Å²	178	153.3 Å²	153.3	93%	0.932	81%	0.811	S	S	*	*			trans	-89.5	106.3	173.3	-92.6	143.5	0	0	0	109.3
606	I	28.6	Very low	28.4	Very low	135 Å²	135	153 Å²	153	69%	0.692	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-89	127.5	173.5	-60.7	175	0	0	0	109	I608	I606-I608 PolarHBondContact O-N 2.87Å
607	P	29.7	Very low	28.3	Very low	111 Å²	111	151.4 Å²	151.4	72%	0.721	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.3	119.4	178	-13.8	29	0	0	0	111.8	N609	P607-N609 PolarHBondContact O-N 2.79Å
608	I	31.2	Very low	28.5	Very low	172 Å²	172	154.6 Å²	154.6	88%	0.882	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-77.1	117.8	173.8	-59.9	175.6	0	0	0	109.2	I606	I606-I608 PolarHBondContact O-N 2.87Å
609	N	30.6	Very low	28.6	Very low	137 Å²	137	154.9 Å²	154.9	73%	0.733	80%	0.803	S	S	*	*			trans	-107.4	138.4	171.5	-100.6	-44.3	0	0	0	111	P607	P607-N609 PolarHBondContact O-N 2.79Å
610	K	27.9	Very low	28.6	Very low	184 Å²	184	157.2 Å²	157.2	80%	0.8	81%	0.812	S	S	*	*			trans	-10	131	171.8	-59.3	179	176.3	-173.1	0	118.2
611	V	31.4	Very low	28.7	Very low	137 Å²	137	157 Å²	157	83%	0.83	81%	0.81	S	S	*	*			trans	-125.6	120.5	150.8	-179.3	0	0	0	0	107.5
612	D	28.6	Very low	29	Very low	142 Å²	142	159.4 Å²	159.4	76%	0.759	82%	0.817	S	S	*	*			trans	-83.4	135.7	176.3	-70.6	-63.6	0	0	0	110.5
613	F	25.2	Very low	28.9	Very low	215 Å²	215	161.3 Å²	161.3	94%	0.943	81%	0.814	S	S	*	*			trans	-73.4	135.7	167.8	-86.3	-99.9	0	0	0	109.7
614	N	29.2	Very low	29.1	Very low	160 Å²	160	162.9 Å²	162.9	86%	0.856	82%	0.816	S	S	*	*			trans	-139.4	141.9	156.4	-149.8	-6.3	0	0	0	111.7
615	V	25.7	Very low	28.8	Very low	112 Å²	112	161.7 Å²	161.7	68%	0.679	81%	0.81	S	S	*	*			trans	-87.1	141.5	-176.2	175.4	0	0	0	0	109.1
616	N	30.7	Very low	28.9	Very low	161 Å²	161	164.9 Å²	164.9	86%	0.861	81%	0.81	S	S	*	*			trans	-148	133.5	151.7	-111.2	-43.2	0	0	0	112.1
617	N	26	Very low	28.9	Very low	136 Å²	136	167.5 Å²	167.5	73%	0.727	82%	0.816	S	S	*	*			trans	-72.7	146	175.5	-67.6	-41.1	0	0	0	110.3
618	R	30.1	Very low	28.9	Very low	247 Å²	247	168.2 Å²	168.2	93%	0.932	82%	0.821	S	S	*	*			trans	-145.4	127.8	138.3	-110.2	167.7	-166.9	-169.6	1.3	109.3
619	Q	27.9	Very low	29	Very low	163 Å²	163	167.9 Å²	167.9	76%	0.762	82%	0.821	S	S	*	*			trans	-72.3	150.6	174.9	-61.7	130.9	-67.6	0	0	109.8
620	N	30.7	Very low	28.9	Very low	166 Å²	166	170.2 Å²	170.2	89%	0.888	82%	0.824	S	S	*	*			trans	-153.7	130.3	131	-101.9	-19.1	0	0	0	108.5
621	N	27.2	Very low	28.8	Very low	144 Å²	144	166.7 Å²	166.7	77%	0.77	82%	0.822	S	S	*	*			trans	-83.7	145.5	178.4	-63.1	-14.7	0	0	0	109.7
622	Q	31.9	Very low	28.8	Very low	199 Å²	199	167.7 Å²	167.7	93%	0.93	82%	0.822	S	S	*	*			trans	-145.1	131.3	135.7	-110.2	165.9	16.1	0	0	107.8
623	E	27.6	Very low	28.6	Very low	149 Å²	149	170.1 Å²	170.1	70%	0.696	83%	0.828	S	S	*	*			trans	-87.9	144.9	-177.6	-64.7	175.5	78.7	0	0	110.6	Q625	E623-Q625 PolarHBondContact OE1-NE2 3.09Å
624	E	29.2	Very low	28.9	Very low	200 Å²	200	165.7 Å²	165.7	94%	0.935	82%	0.819	S	S	*	*			trans	-143.4	134.2	138.7	-136.7	-179.1	179.2	0	0	110.4
625	Q	27	Very low	28.9	Very low	147 Å²	147	163.8 Å²	163.8	69%	0.687	82%	0.815	S	S	*	*			trans	-107.1	140.5	-166.3	-57.2	176.4	6.2	0	0	111.6	E623	E623-Q625 PolarHBondContact OE1-NE2 3.09Å
626	R	30	Very low	29	Very low	246 Å²	246	164.8 Å²	164.8	93%	0.928	82%	0.822	S	S	*	*			trans	-161.8	103.4	148.5	-106.5	151	-147.7	-113.3	5.4	113.6
627	K	29.6	Very low	29	Very low	190 Å²	190	165.2 Å²	165.2	83%	0.826	82%	0.818	S	S	*	*			trans	27.5	124.5	149.5	-61.1	-174.8	176.2	-174.1	0	120.4
628	P	29.5	Very low	29.1	Very low	126 Å²	126	169.6 Å²	169.6	82%	0.818	83%	0.825	S	S	*	*			trans	-90.2	139.7	151.9	35.3	-29	0	0	0	111.5
629	D	32.8	Very low	29.3	Very low	165 Å²	165	166.8 Å²	166.8	88%	0.882	82%	0.82	S	S	*	*			trans	-97.3	167	172	-92.6	-50.8	0	0	0	113.3
630	K	29.8	Very low	29.3	Very low	185 Å²	185	167.3 Å²	167.3	80%	0.804	82%	0.822	S	S	*	*			trans	-129.2	154.8	-150.2	-122.6	-177.9	-178	-178.8	0	113.4
631	C	24.7	Very low	29.5	Very low	110 Å²	110	168.7 Å²	168.7	74%	0.743	82%	0.823	S	S	*	*			trans	63.5	135.9	152.9	-63.5	0	0	0	0	119.4
632	L	31.1	Very low	29.7	Very low	159 Å²	159	170.7 Å²	170.7	83%	0.832	83%	0.825	S	S	*	*			trans	-161.7	98.5	131.2	-108.2	164.4	0	0	0	109	V634	L632-V634 HydrophobicContact CD2-CG2 3.7Å
633	E	24.8	Very low	29.9	Very low	192 Å²	192	168.4 Å²	168.4	90%	0.897	82%	0.819	S	S	*	*			trans	-109.6	129.1	158.9	-73.6	-175.5	145.5	0	0	106.9
634	V	32.3	Very low	30.2	Very low	123 Å²	123	165.4 Å²	165.4	75%	0.745	81%	0.814	S	S	*	*			trans	-154.5	154.2	171.3	-101.9	0	0	0	0	107.8	L632	L632-V634 HydrophobicContact CD2-CG2 3.7Å
635	P	29.3	Very low	30.4	Very low	120 Å²	120	162.6 Å²	162.6	78%	0.779	81%	0.806	S	S	*	*				-124.3	-173.5	-124.1	34.6	-17.2	0	0	0	114.7	E637	P635-E637 PolarHBondContact O-N 3.24Å
636	T	26.4	Very low	30.8	Very low	132 Å²	132	162.1 Å²	162.1	81%	0.81	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63	120.3	175.3	-47.4	0	0	0	0	112.2
637	E	32.4	Very low	31	Very low	170 Å²	170	156.3 Å²	156.3	79%	0.794	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-95.9	142	155.5	-72.4	-161.3	155.9	0	0	110.7	P635	P635-E637 PolarHBondContact O-N 3.24Å
638	R	26.8	Very low	31.4	Very low	228 Å²	228	156 Å²	156	86%	0.86	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-95.6	135.1	165.4	-62.5	175.4	-179	168.8	-0.5	107.9
639	K	33.8	Very low	31.7	Very low	189 Å²	189	155.4 Å²	155.4	82%	0.822	79%	0.792	S	S	*	*			trans	-120.1	128.7	150.2	-73.5	-167.3	174.1	-173.5	0	108.8
640	Q	29	Very low	31.8	Very low	173 Å²	173	151.1 Å²	151.1	81%	0.808	79%	0.787	S	S	*	*			trans	-97.4	124.7	167.8	-62.1	170.1	-80.8	0	0	106
641	E	34.5	Very low	32.1	Very low	196 Å²	196	149.4 Å²	149.4	92%	0.916	79%	0.787	S	S	*	*			trans	-116.2	132.4	152.8	-80.8	170.1	164.9	0	0	106.1
642	K	31.4	Very low	32.3	Very low	185 Å²	185	152.7 Å²	152.7	80%	0.804	79%	0.792	S	S	*	*			trans	-108	136.5	171.9	-70.9	177.4	171.7	-174.1	0	106.2
643	D	36	Very low	32.2	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	79%	0.787	S	S	*	*			trans	-156.9	126.8	137.3	-77.1	-40.9	0	0	0	103
644	S	34.2	Very low	32.5	Very low	85 Å²	85	147.7 Å²	147.7	59%	0.594	78%	0.784	S	S	*	*				60.2	127	57.1	76.4	0	0	0	0	113.2
645	D	33.7	Very low	32.4	Very low	141 Å²	141	148.3 Å²	148.3	75%	0.754	78%	0.781	S	S	*	*			cis	-159.5	-170.4	-11.9	-114.6	-50.1	0	0	0	108.3
646	D	35.5	Very low	32.3	Very low	137 Å²	137	151.2 Å²	151.2	73%	0.733	78%	0.784	S	S	*	*			trans	72.7	122.3	170.6	-63.6	-42.6	0	0	0	118.5
647	N	34.2	Very low	32.4	Very low	124 Å²	124	150.3 Å²	150.3	66%	0.663	78%	0.784	S	S	*	*			cis	91.3	93.6	39.9	-68.8	-43.8	0	0	0	114.2
648	H	36.5	Very low	32.4	Very low	184 Å²	184	148.5 Å²	148.5	85%	0.852	78%	0.784	S	S	*	*				-171.1	141.6	103	-115.8	-86.5	0	0	0	113
649	P	37.5	Very low	32.7	Very low	113 Å²	113	144.8 Å²	144.8	73%	0.734	78%	0.781	S	S	*	*			trans	-100.7	167.8	178.8	38.5	-35.2	0	0	0	114
650	G	34.4	Very low	32.5	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	78%	0.778	S	S	*	*			trans	-122.1	139.1	169.1	0	0	0	0	0	112.3
651	N	35.9	Very low	32.7	Very low	149 Å²	149	142.5 Å²	142.5	80%	0.797	78%	0.783	S	S	*	*			trans	-70.9	144.3	-176.3	-61.5	-33.9	0	0	0	111.3
652	Q	29.7	Very low	32.3	Very low	180 Å²	180	137 Å²	137	84%	0.841	78%	0.778	S	S	*	*			cis	78.6	136	47.3	-144.4	-175.5	38.2	0	0	113.8
653	A	28.3	Very low	32.3	Very low	90 Å²	90	137.7 Å²	137.7	74%	0.744	78%	0.782	S	S	*	*			trans	70.9	100.9	173.2	0	0	0	0	0	119.6
654	L	30.5	Very low	32	Very low	156 Å²	156	136.7 Å²	136.7	82%	0.817	78%	0.781	S	S	*	*			trans	-156.3	122.1	130.5	-138	78.4	0	0	0	112
655	I	30.4	Very low	31.7	Very low	136 Å²	136	138.1 Å²	138.1	70%	0.697	79%	0.79	S	S	*	*			trans	44	94.8	136.5	-64.4	177.2	0	0	0	115
656	E	28	Very low	31.7	Very low	180 Å²	180	138.3 Å²	138.3	84%	0.841	79%	0.789	S	S	*	*				36.3	113.5	73.5	-75.4	-160.6	148.9	0	0	115.7
657	S	27.2	Very low	31.5	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	79%	0.787	S	S	*	*			trans	68.5	83	168.1	71.8	0	0	0	0	118.8
658	T	33.2	Very low	31.5	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	79%	0.793	S	S	*	*			trans	-132	99.5	140.1	38.8	0	0	0	0	112.3
659	L	33	Very low	31.4	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	78%	0.784	S	S	*	*			trans	52.8	103.2	130.6	-61.5	167.7	0	0	0	119.4
660	N	29.3	Very low	31.2	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	78%	0.784	S	S	*	*				20.9	110.9	116	-69.1	-18.2	0	0	0	117.6
661	N	32.9	Very low	31.2	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	79%	0.786	S	S	*	*				-159.3	153.9	119.9	-104.3	-36.5	0	0	0	112.4	K663	N661-K663 PolarHBondContact O-N 2.94Å
662	G	27.5	Very low	31.3	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	78%	0.778	S	S	*	*			trans	-51.8	127.2	-158	0	0	0	0	0	117.7
663	K	31.5	Very low	31.9	Very low	200 Å²	200	136.5 Å²	136.5	87%	0.87	77%	0.773	S	S	*	*			trans	-112.6	127.1	156.6	-87.7	-176	174	176.4	0	110.3	N661 C665	N661-K663 PolarHBondContact O-N 2.94Å; K663-C665 PolarHBondContact O-N 3.06Å
664	V	29.7	Very low	32.8	Very low	132 Å²	132	135.9 Å²	135.9	80%	0.8	76%	0.756	S	S	*	*			trans	-69.8	119.9	-175.8	176.9	0	0	0	0	110.8	I666	V664-I666 HydrophobicContact CG1-CG1 4.44Å; V664-I666 PolarHBondContact O-N 2.87Å
665	C	27.7	Very low	34	Very low	115 Å²	115	133.3 Å²	133.3	78%	0.777	74%	0.743	S	S	*	*			trans	-72.1	92.3	172.2	-63.5	0	0	0	0	111	K663 N667	K663-C665 PolarHBondContact O-N 3.06Å; C665-N667 PolarHBondContact O-N 2.82Å; C665-N667 VanDerWaalsContact O-N 3.12Å
666	I	33.6	Very low	35.7	Very low	145 Å²	145	133.3 Å²	133.3	74%	0.744	75%	0.745	S	S	*	*			trans	-69.2	108.2	169.1	-60.6	179.3	0	0	0	108.2	V664 T668	V664-I666 HydrophobicContact CG1-CG1 4.44Å; V664-I666 PolarHBondContact O-N 2.87Å; I666-T668 PolarHBondContact O-N 3.18Å
667	N	30.1	Very low	37.7	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	74%	0.738	S	S	*	*			trans	-70.8	86.6	-170.9	-122.7	-55.7	0	0	0	112.1	C665 K669	C665-N667 PolarHBondContact O-N 2.82Å; C665-N667 VanDerWaalsContact O-N 3.12Å; N667-K669 PolarHBondContact O-N 2.98Å
668	T	34.4	Very low	39.7	Very low	129 Å²	129	130.7 Å²	130.7	79%	0.791	72%	0.724	S	S	*	*			trans	-74.9	61.4	167.7	42.5	0	0	0	0	111	I666 L670	I666-T668 PolarHBondContact O-N 3.18Å; T668-L670 PolarHBondContact O-N 2.8Å
669	K	34.8	Very low	41.5	Very low	154 Å²	154	126.7 Å²	126.7	67%	0.67	70%	0.696	S	S	*	*			trans	-59.3	105.1	171.5	-74.8	-163.7	173.8	-166.8	0	109.6	N667	N667-K669 PolarHBondContact O-N 2.98Å
670	L	33.2	Very low	43.5	Very low	138 Å²	138	122.7 Å²	122.7	72%	0.723	68%	0.678	S	S	*	*			trans	-49	153.7	143.2	-87.4	75.1	0	0	0	107.8	T668 Q672	T668-L670 PolarHBondContact O-N 2.8Å; L670-Q672 PolarHBondContact O-N 3.23Å
671	P	33.9	Very low	45.9	Very low	126 Å²	126	122.5 Å²	122.5	82%	0.818	67%	0.673	S	S	*	*			trans	-54.6	111.5	156.8	-12.5	27.2	0	0	0	105.8
672	Q	38.1	Very low	47.8	Very low	134 Å²	134	121.3 Å²	121.3	63%	0.626	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-63	151.9	173.1	-67.5	-155.9	-51.8	0	0	107.6	L670 I674	L670-Q672 PolarHBondContact O-N 3.23Å; Q672-I674 PolarHBondContact O-N 2.84Å; Q672-I674 VanDerWaalsContact O-N 3.13Å
673	P	42.3	Very low	50.2	Low	115 Å²	115	124.7 Å²	124.7	75%	0.747	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-50.2	126.6	163.5	-18.2	30.8	0	0	0	106.5	L675	P673-L675 PolarHBondContact O-N 2.8Å
674	I	48.3	Very low	52.4	Low	76 Å²	76	120 Å²	120	39%	0.39	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-55.4	116.9	176.3	-54.9	178.1	0	0	0	105	Q672 E678 E679	Q672-I674 PolarHBondContact O-N 2.84Å; Q672-I674 VanDerWaalsContact O-N 3.13Å; I674-E678 HydrophobicContact CG2-CB 3.53Å; I674-E679 HydrophobicContact CB-CB 4.42Å; I674-E679 HydrophobicContact CG2-CB 3.72Å; I674-E679 VanDerWaalsContact CG2-N 3.32Å
675	L	55.8	Low	54.6	Low	102 Å²	102	117.9 Å²	117.9	53%	0.534	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-58.6	145.5	-179.7	-70	167.4	0	0	0	107.7	P673 D677 E678 E679	P673-L675 PolarHBondContact O-N 2.8Å; L675-D677 CarbonylContact O-C 3.2Å; L675-D677 PolarHBondContact O-N 2.94Å; L675-E678 HydrophobicContact CB-CB 4.48Å; L675-E678 HydrophobicContact CB-CG 4.4Å; L675-E678 WeakPolarHBondContact O-CA 3.17Å; L675-E678 PolarHBondContact O-N 3.14Å; L675-E679 PolarHBondContact O-N 2.84Å
676	D	64.7	Low	57	Low	137 Å²	137	117 Å²	117	73%	0.733	60%	0.596	S	S	*	*	H	α-helix	trans	-56.6	-26.9	-177	-71.4	-64.8	0	0	0	111.9	T680	D676-T680 WeakPolarHBondContact O-CB 3.34Å; D676-T680 PolarHBondContact O-N 2.79Å; D676-T680 PolarHBondContact O-OG1 2.76Å
677	D	70.5	Confident	59	Low	133 Å²	133	116.1 Å²	116.1	71%	0.711	59%	0.587	S	S	*	*	H	α-helix	trans	-67.5	-46.4	169.6	-57.7	-46.8	0	0	0	113.6	L675 T680 E681	L675-D677 CarbonylContact O-C 3.2Å; L675-D677 PolarHBondContact O-N 2.94Å; D677-T680 CarbonylContact O-C 3.47Å; D677-T680 PolarHBondContact O-N 3.01Å; D677-E681 PolarHBondContact O-N 2.81Å
678	E	68.6	Low	61.3	Low	106 Å²	106	116.1 Å²	116.1	50%	0.495	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-36.9	175.4	-74.7	-173.1	152.3	0	0	111.6	I674 L675 T680 E681 R682	I674-E678 HydrophobicContact CG2-CB 3.53Å; L675-E678 HydrophobicContact CB-CB 4.48Å; L675-E678 HydrophobicContact CB-CG 4.4Å; L675-E678 WeakPolarHBondContact O-CA 3.17Å; L675-E678 PolarHBondContact O-N 3.14Å; E678-T680 VanDerWaalsContact C-N 3.31Å; E678-E681 PolarHBondContact O-N 2.86Å; E678-R682 WeakPolarHBondContact O-CB 3.18Å; E678-R682 PolarHBondContact O-N 2.84Å
679	E	71.4	Confident	63.2	Low	46 Å²	46	115.6 Å²	115.6	22%	0.215	56%	0.564	C	S	.	*	H	α-helix	trans	-68.7	-35.3	175.5	177	67.2	-167.7	0	0	109.8	I674 L675 R682 R683	I674-E679 HydrophobicContact CB-CB 4.42Å; I674-E679 HydrophobicContact CG2-CB 3.72Å; I674-E679 VanDerWaalsContact CG2-N 3.32Å; L675-E679 PolarHBondContact O-N 2.84Å; E679-R682 IonicContact OE2-NH1 3.2Å; E679-R683 WeakPolarHBondContact O-CB 3.18Å; E679-R683 WeakPolarHBondContact O-CD 3.36Å; E679-R683 WeakPolarHBondContact O-CG 3.46Å; E679-R683 PolarHBondContact O-N 2.92Å; E679-R683 IonicContact OE1-CZ 2.79Å; E679-R683 IonicContact OE1-NE 2.76Å; E679-R683 PolarHBondContact OE1-NE 3.48Å; E679-R683 IonicContact OE1-NH2 3.86Å; E679-R683 PolarHBondContact OE1-NH2 2.92Å
680	T	75.5	Confident	65.1	Low	68 Å²	68	113.2 Å²	113.2	42%	0.417	56%	0.556	S	S	.	*	H	α-helix	trans	-70.4	-43.3	172.8	-63.6	0	0	0	0	112.1	D676 D677 E678 R683 N684	D676-T680 WeakPolarHBondContact O-CB 3.34Å; D676-T680 PolarHBondContact O-N 2.79Å; D676-T680 PolarHBondContact O-OG1 2.76Å; D677-T680 CarbonylContact O-C 3.47Å; D677-T680 PolarHBondContact O-N 3.01Å; E678-T680 VanDerWaalsContact C-N 3.31Å; T680-R683 PolarHBondContact O-N 3.28Å; T680-N684 WeakPolarHBondContact O-CB 3.35Å; T680-N684 PolarHBondContact O-N 3.34Å; T680-N684 PolarHBondContact O-ND2 2.71Å
681	E	79.5	Confident	66.9	Low	141 Å²	141	110.9 Å²	110.9	66%	0.659	54%	0.544	S	S	*	.	H	α-helix	trans	-61.5	-44.3	173.2	-177	172.1	-146.6	0	0	110.9	D677 E678 R683 N684 E685	D677-E681 PolarHBondContact O-N 2.81Å; E678-E681 PolarHBondContact O-N 2.86Å; E681-R683 PolarHBondContact O-N 2.89Å; E681-N684 CarbonylContact O-C 3.53Å; E681-N684 WeakPolarHBondContact O-CB 3.19Å; E681-N684 PolarHBondContact O-N 2.77Å; E681-E685 PolarHBondContact O-N 2.56Å
682	R	73	Confident	68.8	Low	142 Å²	142	110 Å²	110	54%	0.536	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-39.1	176.4	-173.8	-178.6	-178.2	-154.8	2.4	112.5	E678 E679 E685 L686	E678-R682 WeakPolarHBondContact O-CB 3.18Å; E678-R682 PolarHBondContact O-N 2.84Å; E679-R682 IonicContact OE2-NH1 3.2Å; R682-E685 PolarHBondContact O-N 2.68Å; R682-L686 HydrophobicContact CG-CD1 4.37Å; R682-L686 WeakPolarHBondContact O-CB 3.27Å; R682-L686 VanDerWaalsContact O-CG 3.3Å; R682-L686 WeakPolarHBondContact O-CG 3.49Å; R682-L686 PolarHBondContact O-N 2.9Å
683	R	77.9	Confident	70.4	Confident	152 Å²	152	107.7 Å²	107.7	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-41.2	172.2	-75.3	168.9	-169.9	178.9	8	111.4	E679 T680 E681 E685 L686 K687	E679-R683 WeakPolarHBondContact O-CB 3.18Å; E679-R683 WeakPolarHBondContact O-CD 3.36Å; E679-R683 WeakPolarHBondContact O-CG 3.46Å; E679-R683 PolarHBondContact O-N 2.92Å; E679-R683 IonicContact OE1-CZ 2.79Å; E679-R683 IonicContact OE1-NE 2.76Å; E679-R683 PolarHBondContact OE1-NE 3.48Å; E679-R683 IonicContact OE1-NH2 3.86Å; E679-R683 PolarHBondContact OE1-NH2 2.92Å; T680-R683 PolarHBondContact O-N 3.28Å; E681-R683 PolarHBondContact O-N 2.89Å; R683-E685 VanDerWaalsContact C-N 3.34Å; R683-E685 PolarHBondContact O-N 3.42Å; R683-L686 PolarHBondContact O-N 2.97Å; R683-K687 VanDerWaalsContact O-CB 3.28Å; R683-K687 WeakPolarHBondContact O-CB 3.17Å; R683-K687 PolarHBondContact O-N 3.23Å
684	N	78	Confident	71.8	Confident	100 Å²	100	107.1 Å²	107.1	54%	0.535	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-39.6	173.8	-74.1	-27.8	0	0	0	111.5	T680 E681 K688	T680-N684 WeakPolarHBondContact O-CB 3.35Å; T680-N684 PolarHBondContact O-N 3.34Å; T680-N684 PolarHBondContact O-ND2 2.71Å; E681-N684 CarbonylContact O-C 3.53Å; E681-N684 WeakPolarHBondContact O-CB 3.19Å; E681-N684 PolarHBondContact O-N 2.77Å; N684-K688 VanDerWaalsContact O-CB 3.23Å; N684-K688 WeakPolarHBondContact O-CB 3.3Å; N684-K688 PolarHBondContact O-N 3.38Å
685	E	76.4	Confident	73	Confident	89 Å²	89	110.4 Å²	110.4	42%	0.416	52%	0.518	S	S	.	.	H	α-helix	trans	-79.8	-28.8	178.6	-148.1	-163.6	-153.9	0	0	113.5	E681 R682 R683 K688 R689	E681-E685 PolarHBondContact O-N 2.56Å; R682-E685 PolarHBondContact O-N 2.68Å; R683-E685 VanDerWaalsContact C-N 3.34Å; R683-E685 PolarHBondContact O-N 3.42Å; E685-K688 HydrophobicContact CG-CD 4.31Å; E685-R689 VanDerWaalsContact CD-NH1 3.3Å; E685-R689 WeakPolarHBondContact O-CG 3.44Å; E685-R689 PolarHBondContact O-N 2.9Å; E685-R689 PolarHBondContact O-NH1 3.02Å; E685-R689 IonicContact OE1-NH2 2.79Å; E685-R689 IonicContact OE2-CZ 2.92Å; E685-R689 IonicContact OE2-NH1 2.75Å; E685-R689 PolarHBondContact OE2-NH1 2.92Å; E685-R689 IonicContact OE2-NH2 2.74Å; E685-R689 PolarHBondContact OE2-NH2 2.92Å
686	L	76.2	Confident	74.1	Confident	96 Å²	96	111.2 Å²	111.2	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-45.7	166.5	-79	169	0	0	0	110.6	R682 R683 K688 R689 E690	R682-L686 HydrophobicContact CG-CD1 4.37Å; R682-L686 WeakPolarHBondContact O-CB 3.27Å; R682-L686 VanDerWaalsContact O-CG 3.3Å; R682-L686 WeakPolarHBondContact O-CG 3.49Å; R682-L686 PolarHBondContact O-N 2.9Å; R683-L686 PolarHBondContact O-N 2.97Å; L686-K688 PolarHBondContact O-N 3.33Å; L686-R689 CarbonylContact O-C 3.58Å; L686-R689 WeakPolarHBondContact O-CB 3.07Å; L686-R689 PolarHBondContact O-N 2.84Å; L686-R689 VanDerWaalsContact O-N 3.11Å; L686-E690 PolarHBondContact O-N 3.15Å
687	K	76.9	Confident	74.3	Confident	127 Å²	127	105.8 Å²	105.8	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-60.2	-44.7	173.3	-169.7	175.6	-178.1	-179.3	0	111.3	R683 R689 E690 D691	R683-K687 VanDerWaalsContact O-CB 3.28Å; R683-K687 WeakPolarHBondContact O-CB 3.17Å; R683-K687 PolarHBondContact O-N 3.23Å; K687-R689 VanDerWaalsContact C-N 3.26Å; K687-R689 PolarHBondContact O-N 3.04Å; K687-E690 CarbonylContact O-C 3.56Å; K687-E690 WeakPolarHBondContact O-CA 3.43Å; K687-E690 WeakPolarHBondContact O-CB 3.11Å; K687-E690 PolarHBondContact O-N 3.35Å; K687-D691 WeakPolarHBondContact O-CB 3.47Å; K687-D691 PolarHBondContact O-N 3.33Å
688	K	77.7	Confident	74.4	Confident	128 Å²	128	103.2 Å²	103.2	56%	0.557	48%	0.484	S	S	*	.	H	α-helix	trans	-59.1	-31.8	173.8	-162.3	177.7	-171.4	179	0	112.9	N684 E685 L686 Q692	N684-K688 VanDerWaalsContact O-CB 3.23Å; N684-K688 WeakPolarHBondContact O-CB 3.3Å; N684-K688 PolarHBondContact O-N 3.38Å; E685-K688 HydrophobicContact CG-CD 4.31Å; L686-K688 PolarHBondContact O-N 3.33Å; K688-Q692 WeakPolarHBondContact O-CB 3.35Å; K688-Q692 WeakPolarHBondContact O-CG 3.47Å; K688-Q692 PolarHBondContact O-N 3.08Å; K688-Q692 VanDerWaalsContact O-N 3.13Å
689	R	75	Confident	74.7	Confident	117 Å²	117	99.4 Å²	99.4	44%	0.442	47%	0.466	S	S	.	.	H	α-helix	trans	-77.4	-36.8	171.4	-74.8	-177.5	-174.8	87.7	3.6	112.7	E685 L686 K687 Q692 M693	E685-R689 VanDerWaalsContact CD-NH1 3.3Å; E685-R689 WeakPolarHBondContact O-CG 3.44Å; E685-R689 PolarHBondContact O-N 2.9Å; E685-R689 PolarHBondContact O-NH1 3.02Å; E685-R689 IonicContact OE1-NH2 2.79Å; E685-R689 IonicContact OE2-CZ 2.92Å; E685-R689 IonicContact OE2-NH1 2.75Å; E685-R689 PolarHBondContact OE2-NH1 2.92Å; E685-R689 IonicContact OE2-NH2 2.74Å; E685-R689 PolarHBondContact OE2-NH2 2.92Å; L686-R689 CarbonylContact O-C 3.58Å; L686-R689 WeakPolarHBondContact O-CB 3.07Å; L686-R689 PolarHBondContact O-N 2.84Å; L686-R689 VanDerWaalsContact O-N 3.11Å; K687-R689 VanDerWaalsContact C-N 3.26Å; K687-R689 PolarHBondContact O-N 3.04Å; R689-Q692 WeakPolarHBondContact O-CB 3.48Å; R689-Q692 PolarHBondContact O-N 2.95Å; R689-M693 WeakPolarHBondContact O-CG 3.3Å; R689-M693 PolarHBondContact O-N 3.27Å
690	E	73.6	Confident	74.5	Confident	105 Å²	105	100.5 Å²	100.5	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-66.4	-45.1	174.5	-171.3	166.5	-148.7	0	0	111.2	L686 K687 Q692 M693 H694	L686-E690 PolarHBondContact O-N 3.15Å; K687-E690 CarbonylContact O-C 3.56Å; K687-E690 WeakPolarHBondContact O-CA 3.43Å; K687-E690 WeakPolarHBondContact O-CB 3.11Å; K687-E690 PolarHBondContact O-N 3.35Å; E690-Q692 VanDerWaalsContact C-N 3.29Å; E690-Q692 PolarHBondContact O-N 2.84Å; E690-M693 HydrophobicContact CB-CE 4.44Å; E690-M693 PolarHBondContact O-N 3.05Å; E690-M693 VanDerWaalsContact O-N 3.1Å; E690-H694 PolarHBondContact O-CD2 3.06Å; E690-H694 PolarHBondContact O-N 2.99Å
691	D	72.1	Confident	74.4	Confident	88 Å²	88	101.7 Å²	101.7	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-55.1	-42.6	168.4	-66.8	-31.7	0	0	0	110.9	K687 H694 K695	K687-D691 WeakPolarHBondContact O-CB 3.47Å; K687-D691 PolarHBondContact O-N 3.33Å; D691-H694 PolarHBondContact O-N 3.16Å; D691-K695 WeakPolarHBondContact O-CB 3.35Å; D691-K695 PolarHBondContact O-N 3.35Å
692	Q	74	Confident	74	Confident	107 Å²	107	98.9 Å²	98.9	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-64.6	-43.3	173.4	-78.8	167.7	0.7	0	0	112.5	K688 R689 E690 H694 K695 I696	K688-Q692 WeakPolarHBondContact O-CB 3.35Å; K688-Q692 WeakPolarHBondContact O-CG 3.47Å; K688-Q692 PolarHBondContact O-N 3.08Å; K688-Q692 VanDerWaalsContact O-N 3.13Å; R689-Q692 WeakPolarHBondContact O-CB 3.48Å; R689-Q692 PolarHBondContact O-N 2.95Å; E690-Q692 VanDerWaalsContact C-N 3.29Å; E690-Q692 PolarHBondContact O-N 2.84Å; Q692-H694 VanDerWaalsContact C-N 3.33Å; Q692-H694 PolarHBondContact O-N 3.49Å; Q692-K695 PolarHBondContact O-N 3.06Å; Q692-I696 WeakPolarHBondContact O-CB 3.26Å; Q692-I696 WeakPolarHBondContact O-CD1 3.49Å; Q692-I696 VanDerWaalsContact O-CG1 3.23Å; Q692-I696 WeakPolarHBondContact O-CG1 3.43Å; Q692-I696 PolarHBondContact O-N 2.95Å
693	M	72.2	Confident	74	Confident	87 Å²	87	100.3 Å²	100.3	43%	0.429	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-35.5	177.1	-71	-171.6	-64.2	0	0	112.4	R689 E690 L698 I699	R689-M693 WeakPolarHBondContact O-CG 3.3Å; R689-M693 PolarHBondContact O-N 3.27Å; E690-M693 HydrophobicContact CB-CE 4.44Å; E690-M693 PolarHBondContact O-N 3.05Å; E690-M693 VanDerWaalsContact O-N 3.1Å; M693-L698 WeakPolarHBondContact O-CB 3.38Å; M693-L698 PolarHBondContact O-N 2.82Å; M693-I699 HydrophobicContact CB-CD1 3.68Å; M693-I699 HydrophobicContact CB-CG1 3.98Å; M693-I699 PolarHBondContact O-N 2.79Å
694	H	70.5	Confident	73.5	Confident	103 Å²	103	98.8 Å²	98.8	48%	0.477	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-46.8	168.7	-89.7	-74.9	0	0	0	111.7	E690 D691 Q692 I696 G697 I699	E690-H694 PolarHBondContact O-CD2 3.06Å; E690-H694 PolarHBondContact O-N 2.99Å; D691-H694 PolarHBondContact O-N 3.16Å; Q692-H694 VanDerWaalsContact C-N 3.33Å; Q692-H694 PolarHBondContact O-N 3.49Å; H694-I696 VanDerWaalsContact C-N 3.28Å; H694-I696 PolarHBondContact O-N 3.29Å; H694-G697 WeakPolarHBondContact O-CA 3.42Å; H694-G697 PolarHBondContact O-N 3.37Å; H694-I699 VanDerWaalsContact CD2-CD1 3.42Å; H694-I699 WeakPolarHBondContact CD2-CD1 3.31Å
695	K	74.1	Confident	72.9	Confident	144 Å²	144	98.2 Å²	98.2	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-69.9	-20.7	-176.9	-165.3	165.1	-169.3	166.8	0	114.2	D691 Q692 G697 P853	D691-K695 WeakPolarHBondContact O-CB 3.35Å; D691-K695 PolarHBondContact O-N 3.35Å; Q692-K695 PolarHBondContact O-N 3.06Å; K695-G697 VanDerWaalsContact C-N 3.33Å; K695-P853 HydrophobicContact CG-CB 4.33Å
696	I	78.8	Confident	72.4	Confident	120 Å²	120	100.3 Å²	100.3	62%	0.615	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.4	170	-67.7	163.6	0	0	0	111.5	Q692 H694 L698	Q692-I696 WeakPolarHBondContact O-CB 3.26Å; Q692-I696 WeakPolarHBondContact O-CD1 3.49Å; Q692-I696 VanDerWaalsContact O-CG1 3.23Å; Q692-I696 WeakPolarHBondContact O-CG1 3.43Å; Q692-I696 PolarHBondContact O-N 2.95Å; H694-I696 VanDerWaalsContact C-N 3.28Å; H694-I696 PolarHBondContact O-N 3.29Å; I696-L698 HydrophobicContact CB-CB 4.41Å; I696-L698 HydrophobicContact CG2-CB 4.08Å; I696-L698 HydrophobicContact CG2-CD1 4.18Å; I696-L698 HydrophobicContact CG2-CG 4.28Å; I696-L698 PolarHBondContact O-N 3.3Å
697	G	68.6	Low	71.7	Confident	23 Å²	23	97.7 Å²	97.7	24%	0.237	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	7.6	-172.3	0	0	0	0	0	113.5	H694 K695 I699 S700 I701	H694-G697 WeakPolarHBondContact O-CA 3.42Å; H694-G697 PolarHBondContact O-N 3.37Å; K695-G697 VanDerWaalsContact C-N 3.33Å; G697-I699 VanDerWaalsContact C-N 3.3Å; G697-I699 PolarHBondContact O-N 2.66Å; G697-S700 WeakPolarHBondContact O-CB 3.25Å; G697-S700 PolarHBondContact O-N 3.4Å; G697-I701 WeakPolarHBondContact O-CG1 3.33Å; G697-I701 PolarHBondContact O-N 3.18Å
698	L	73.2	Confident	70.4	Confident	79 Å²	79	97.4 Å²	97.4	41%	0.414	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-39	-175.3	-133.9	170.5	0	0	0	111	M693 I696 I701 L702	M693-L698 WeakPolarHBondContact O-CB 3.38Å; M693-L698 PolarHBondContact O-N 2.82Å; I696-L698 HydrophobicContact CB-CB 4.41Å; I696-L698 HydrophobicContact CG2-CB 4.08Å; I696-L698 HydrophobicContact CG2-CD1 4.18Å; I696-L698 HydrophobicContact CG2-CG 4.28Å; I696-L698 PolarHBondContact O-N 3.3Å; L698-I701 PolarHBondContact O-N 3.17Å; L698-L702 HydrophobicContact CD2-CD1 4.18Å; L698-L702 HydrophobicContact CD2-CG 4.44Å; L698-L702 WeakPolarHBondContact O-CB 3.31Å; L698-L702 WeakPolarHBondContact O-CG 3.48Å; L698-L702 PolarHBondContact O-N 2.96Å
699	I	73.9	Confident	69	Low	25 Å²	25	96 Å²	96	13%	0.128	47%	0.472	C	S	.	.	H	α-helix	trans	-66.3	-41.1	173.5	-72	167.6	0	0	0	111.1	M693 H694 G697 L702 Y703	M693-I699 HydrophobicContact CB-CD1 3.68Å; M693-I699 HydrophobicContact CB-CG1 3.98Å; M693-I699 PolarHBondContact O-N 2.79Å; H694-I699 VanDerWaalsContact CD2-CD1 3.42Å; H694-I699 WeakPolarHBondContact CD2-CD1 3.31Å; G697-I699 VanDerWaalsContact C-N 3.3Å; G697-I699 PolarHBondContact O-N 2.66Å; I699-L702 PolarHBondContact O-N 3.43Å; I699-Y703 HydrophobicContact CG2-CD2 3.72Å; I699-Y703 HydrophobicContact CG2-CE2 3.84Å; I699-Y703 WeakPolarHBondContact O-CD2 3.16Å; I699-Y703 PolarHBondContact O-N 2.78Å
700	S	68.7	Low	67.6	Low	69 Å²	69	97.6 Å²	97.6	48%	0.483	48%	0.483	S	S	.	.	H	α-helix	trans	-63.8	-42.7	175.4	-59.4	0	0	0	0	112.3	G697 L702 Y703 E704	G697-S700 WeakPolarHBondContact O-CB 3.25Å; G697-S700 PolarHBondContact O-N 3.4Å; S700-L702 VanDerWaalsContact C-N 3.34Å; S700-L702 PolarHBondContact O-N 2.89Å; S700-Y703 CarbonylContact O-C 3.57Å; S700-Y703 PolarHBondContact O-N 3.19Å; S700-E704 PolarHBondContact O-N 3.45Å
701	I	72.9	Confident	66	Low	93 Å²	93	98.1 Å²	98.1	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-41.2	175.3	-67.2	165.2	0	0	0	110.7	G697 L698 E704 L705	G697-I701 WeakPolarHBondContact O-CG1 3.33Å; G697-I701 PolarHBondContact O-N 3.18Å; L698-I701 PolarHBondContact O-N 3.17Å; I701-E704 PolarHBondContact O-N 3.37Å; I701-L705 HydrophobicContact CG2-CD1 3.95Å; I701-L705 HydrophobicContact CG2-CG 4.46Å; I701-L705 WeakPolarHBondContact O-CB 3.28Å; I701-L705 VanDerWaalsContact O-CG 3.26Å; I701-L705 WeakPolarHBondContact O-CG 3.12Å; I701-L705 PolarHBondContact O-N 3.22Å
702	L	71.5	Confident	64.4	Low	82 Å²	82	96.9 Å²	96.9	43%	0.429	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-44.2	172.7	-75.1	165.7	0	0	0	111.6	L698 I699 S700 L705 F706	L698-L702 HydrophobicContact CD2-CD1 4.18Å; L698-L702 HydrophobicContact CD2-CG 4.44Å; L698-L702 WeakPolarHBondContact O-CB 3.31Å; L698-L702 WeakPolarHBondContact O-CG 3.48Å; L698-L702 PolarHBondContact O-N 2.96Å; I699-L702 PolarHBondContact O-N 3.43Å; S700-L702 VanDerWaalsContact C-N 3.34Å; S700-L702 PolarHBondContact O-N 2.89Å; L702-L705 PolarHBondContact O-N 3.33Å; L702-F706 WeakPolarHBondContact O-CB 3.5Å; L702-F706 WeakPolarHBondContact O-CD2 3.27Å; L702-F706 PolarHBondContact O-N 2.85Å
703	Y	71.1	Confident	62.8	Low	172 Å²	172	98.3 Å²	98.3	68%	0.675	49%	0.49	S	S	*	.	H	α-helix	trans	-64.2	-37.9	175.6	-92.7	-76.4	0	0	0	112.8	I699 S700 F706 A707	I699-Y703 HydrophobicContact CG2-CD2 3.72Å; I699-Y703 HydrophobicContact CG2-CE2 3.84Å; I699-Y703 WeakPolarHBondContact O-CD2 3.16Å; I699-Y703 PolarHBondContact O-N 2.78Å; S700-Y703 CarbonylContact O-C 3.57Å; S700-Y703 PolarHBondContact O-N 3.19Å; Y703-F706 CarbonylContact O-C 3.6Å; Y703-F706 PolarHBondContact O-N 3.4Å; Y703-A707 WeakPolarHBondContact O-CB 3.41Å; Y703-A707 PolarHBondContact O-N 3.28Å
704	E	68.4	Low	61	Low	121 Å²	121	97.5 Å²	97.5	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-67	-43.4	173.8	-76.4	-171.1	169.3	0	0	111.8	S700 I701 F706 A707 Q708	S700-E704 PolarHBondContact O-N 3.45Å; I701-E704 PolarHBondContact O-N 3.37Å; E704-F706 VanDerWaalsContact C-N 3.34Å; E704-F706 PolarHBondContact O-N 3.09Å; E704-A707 PolarHBondContact O-N 3Å; E704-A707 VanDerWaalsContact O-N 3.16Å; E704-Q708 WeakPolarHBondContact O-CB 3.25Å; E704-Q708 VanDerWaalsContact O-CG 3.26Å; E704-Q708 WeakPolarHBondContact O-CG 3.5Å; E704-Q708 PolarHBondContact O-N 3.01Å
705	L	65.7	Low	59.2	Low	87 Å²	87	98.8 Å²	98.8	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-38.6	174.7	-71	168.9	0	0	0	111.7	I701 L702 N709	I701-L705 HydrophobicContact CG2-CD1 3.95Å; I701-L705 HydrophobicContact CG2-CG 4.46Å; I701-L705 WeakPolarHBondContact O-CB 3.28Å; I701-L705 VanDerWaalsContact O-CG 3.26Å; I701-L705 WeakPolarHBondContact O-CG 3.12Å; I701-L705 PolarHBondContact O-N 3.22Å; L702-L705 PolarHBondContact O-N 3.33Å; L705-N709 WeakPolarHBondContact O-CB 3.24Å; L705-N709 PolarHBondContact O-N 3.48Å; L705-N709 VanDerWaalsContact O-N 3.12Å; L705-N709 PolarHBondContact O-ND2 2.87Å
706	F	65	Low	57.3	Low	134 Å²	134	99.9 Å²	99.9	59%	0.588	51%	0.507	S	S	*	.	H	α-helix	trans	-71.8	-30.4	172.2	-81.7	-61.6	0	0	0	113	L702 Y703 E704 K710	L702-F706 WeakPolarHBondContact O-CB 3.5Å; L702-F706 WeakPolarHBondContact O-CD2 3.27Å; L702-F706 PolarHBondContact O-N 2.85Å; Y703-F706 CarbonylContact O-C 3.6Å; Y703-F706 PolarHBondContact O-N 3.4Å; E704-F706 VanDerWaalsContact C-N 3.34Å; E704-F706 PolarHBondContact O-N 3.09Å; F706-K710 VanDerWaalsContact O-CB 3.29Å; F706-K710 WeakPolarHBondContact O-CB 3.42Å; F706-K710 VanDerWaalsContact O-CG 3.31Å; F706-K710 WeakPolarHBondContact O-CG 3.46Å; F706-K710 PolarHBondContact O-N 3.1Å
707	A	62.5	Low	55.2	Low	40 Å²	40	100 Å²	100	33%	0.331	51%	0.507	S	S	.	.	H	α-helix	trans	-74	-44.2	176.2	0	0	0	0	0	111.4	Y703 E704 N709 K710 H711	Y703-A707 WeakPolarHBondContact O-CB 3.41Å; Y703-A707 PolarHBondContact O-N 3.28Å; E704-A707 PolarHBondContact O-N 3Å; E704-A707 VanDerWaalsContact O-N 3.16Å; A707-N709 VanDerWaalsContact C-N 3.33Å; A707-N709 PolarHBondContact O-N 3.39Å; A707-K710 CarbonylContact O-C 3.31Å; A707-K710 PolarHBondContact O-N 3.29Å; A707-K710 VanDerWaalsContact O-N 3.08Å; A707-H711 PolarHBondContact O-CD2 3.15Å; A707-H711 PolarHBondContact O-N 3.35Å
708	Q	49.5	Very low	53.5	Low	121 Å²	121	108.1 Å²	108.1	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-59.7	-44.2	173.9	-70.7	171.6	17.5	0	0	110.6	E704 H711 S712	E704-Q708 WeakPolarHBondContact O-CB 3.25Å; E704-Q708 VanDerWaalsContact O-CG 3.26Å; E704-Q708 WeakPolarHBondContact O-CG 3.5Å; E704-Q708 PolarHBondContact O-N 3.01Å; Q708-H711 PolarHBondContact O-N 2.81Å; Q708-S712 PolarHBondContact O-N 3.37Å; Q708-S712 PolarHBondContact O-OG 3.5Å
709	N	47.3	Very low	51.6	Low	98 Å²	98	110.8 Å²	110.8	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-69.1	-27.9	173	-77.3	-62.4	0	0	0	113.9	L705 A707 S712 H713	L705-N709 WeakPolarHBondContact O-CB 3.24Å; L705-N709 PolarHBondContact O-N 3.48Å; L705-N709 VanDerWaalsContact O-N 3.12Å; L705-N709 PolarHBondContact O-ND2 2.87Å; A707-N709 VanDerWaalsContact C-N 3.33Å; A707-N709 PolarHBondContact O-N 3.39Å; N709-S712 WeakPolarHBondContact CA-OG 3.23Å; N709-S712 PolarHBondContact O-OG 2.89Å; N709-S712 VanDerWaalsContact O-OG 3.06Å; N709-H713 PolarHBondContact O-CD2 3.23Å; N709-H713 PolarHBondContact O-N 2.95Å
710	K	45.6	Very low	49.7	Very low	151 Å²	151	117.6 Å²	117.6	66%	0.657	58%	0.579	S	S	*	*	H	α-helix	trans	-76	-35.1	171.4	-83.8	179	177	177.6	0	112.9	F706 A707 H713 S714	F706-K710 VanDerWaalsContact O-CB 3.29Å; F706-K710 WeakPolarHBondContact O-CB 3.42Å; F706-K710 VanDerWaalsContact O-CG 3.31Å; F706-K710 WeakPolarHBondContact O-CG 3.46Å; F706-K710 PolarHBondContact O-N 3.1Å; A707-K710 CarbonylContact O-C 3.31Å; A707-K710 PolarHBondContact O-N 3.29Å; A707-K710 VanDerWaalsContact O-N 3.08Å; K710-H713 PolarHBondContact O-N 3.36Å; K710-S714 WeakPolarHBondContact O-CB 3.37Å; K710-S714 PolarHBondContact O-N 3.25Å
711	H	41.6	Very low	48	Very low	117 Å²	117	124.3 Å²	124.3	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-74.8	-36.3	178.1	-80.4	-72.5	0	0	0	112.2	A707 Q708 H713 S714 L715	A707-H711 PolarHBondContact O-CD2 3.15Å; A707-H711 PolarHBondContact O-N 3.35Å; Q708-H711 PolarHBondContact O-N 2.81Å; H711-H713 VanDerWaalsContact C-N 3.27Å; H711-H713 PolarHBondContact O-N 2.67Å; H711-S714 PolarHBondContact O-N 2.82Å; H711-L715 WeakPolarHBondContact O-CB 3.39Å; H711-L715 PolarHBondContact O-N 2.97Å
712	S	38.4	Very low	45.9	Very low	61 Å²	61	123.2 Å²	123.2	43%	0.427	61%	0.612	S	S	.	*	H	α-helix	trans	-62.5	-32.6	171.1	66.9	0	0	0	0	112.8	Q708 N709	Q708-S712 PolarHBondContact O-N 3.37Å; Q708-S712 PolarHBondContact O-OG 3.5Å; N709-S712 WeakPolarHBondContact CA-OG 3.23Å; N709-S712 PolarHBondContact O-OG 2.89Å; N709-S712 VanDerWaalsContact O-OG 3.06Å
713	H	38.6	Very low	43.9	Very low	138 Å²	138	126 Å²	126	64%	0.639	62%	0.621	S	S	*	*	H	α-helix	trans	-83.1	-31.4	172.3	-87.1	-86.2	0	0	0	114.3	N709 K710 H711 I717	N709-H713 PolarHBondContact O-CD2 3.23Å; N709-H713 PolarHBondContact O-N 2.95Å; K710-H713 PolarHBondContact O-N 3.36Å; H711-H713 VanDerWaalsContact C-N 3.27Å; H711-H713 PolarHBondContact O-N 2.67Å; H713-I717 VanDerWaalsContact O-CD1 3.31Å; H713-I717 WeakPolarHBondContact O-CD1 3.49Å; H713-I717 WeakPolarHBondContact O-CG1 3.5Å
714	S	35.8	Very low	41.9	Very low	69 Å²	69	124.5 Å²	124.5	48%	0.483	63%	0.625	S	S	.	*	H	α-helix	trans	-81.5	-35	-175.7	-173	0	0	0	0	113.4	K710 H711 K716 I717	K710-S714 WeakPolarHBondContact O-CB 3.37Å; K710-S714 PolarHBondContact O-N 3.25Å; H711-S714 PolarHBondContact O-N 2.82Å; S714-K716 PolarHBondContact O-N 3.4Å; S714-I717 PolarHBondContact O-N 3.08Å
715	L	32.6	Very low	40.1	Very low	131 Å²	131	127.7 Å²	127.7	69%	0.686	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-10.5	177.7	-76.3	164.1	0	0	0	113.7	H711 I717	H711-L715 WeakPolarHBondContact O-CB 3.39Å; H711-L715 PolarHBondContact O-N 2.97Å; L715-I717 VanDerWaalsContact C-N 3.35Å
716	K	33.6	Very low	38.4	Very low	166 Å²	166	130.4 Å²	130.4	72%	0.722	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	9.1	173	-71	-174.8	174.1	-179	0	114.4	S714	S714-K716 PolarHBondContact O-N 3.4Å
717	I	35	Very low	36.7	Very low	123 Å²	123	133.6 Å²	133.6	63%	0.631	66%	0.663	S	S	*	*	S	Bend	trans	-115	-12.7	-169.3	-65.6	177.3	0	0	0	114.1	H713 S714 L715	H713-I717 VanDerWaalsContact O-CD1 3.31Å; H713-I717 WeakPolarHBondContact O-CD1 3.49Å; H713-I717 WeakPolarHBondContact O-CG1 3.5Å; S714-I717 PolarHBondContact O-N 3.08Å; L715-I717 VanDerWaalsContact C-N 3.35Å
718	K	32.1	Very low	35.1	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	68%	0.684	S	S	*	*	S	Bend	trans	-108.3	-23.6	-177.1	-76.3	-170	172.6	-177	0	117.5	K720	K718-K720 VanDerWaalsContact C-N 3.31Å; K718-K720 PolarHBondContact O-N 3.45Å
719	D	33.2	Very low	34.1	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	69%	0.694	S	S	*	*			trans	-89.7	13.3	180	-60.7	-46.1	0	0	0	114.6	K721	D719-K721 PolarHBondContact O-N 3.47Å
720	K	34.1	Very low	33.3	Very low	167 Å²	167	141.6 Å²	141.6	73%	0.726	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	60.2	176.9	-69.5	-163.4	174.2	-166.9	0	113.2	K718	K718-K720 VanDerWaalsContact C-N 3.31Å; K718-K720 PolarHBondContact O-N 3.45Å
721	K	33	Very low	32.5	Very low	210 Å²	210	139.9 Å²	139.9	91%	0.913	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.8	-1.2	166.3	-90.7	-164.7	174.4	-176.2	0	115.7	D719	D719-K721 PolarHBondContact O-N 3.47Å
722	G	29.9	Very low	32	Very low	71 Å²	71	140 Å²	140	73%	0.732	71%	0.711	S	S	*	*	S	Bend	trans	-133.9	26.2	179.2	0	0	0	0	0	114.5
723	F	29.8	Very low	31.6	Very low	140 Å²	140	143.4 Å²	143.4	61%	0.614	72%	0.724	S	S	*	*			trans	-136.5	30.2	-172.3	-124.3	-85.8	0	0	0	113.9	Y727	F723-Y727 HydrophobicContact CE1-CD2 4.15Å; F723-Y727 HydrophobicContact CE1-CE2 4.2Å
724	N	29.2	Very low	31.2	Very low	141 Å²	141	140 Å²	140	75%	0.754	71%	0.713	S	S	*	*	S	Bend	trans	-99.8	1.6	179.1	-87.6	20.6	0	0	0	114.2
725	E	29.5	Very low	31	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	72%	0.724	S	S	*	*	S	Bend	trans	-123.8	10.7	-171.9	-78	174.5	144.1	0	0	114.3
726	L	29.3	Very low	30.9	Very low	144 Å²	144	143.4 Å²	143.4	75%	0.754	72%	0.718	S	S	*	*	S	Bend	trans	-132.3	13.4	-178.6	-88.3	168.6	0	0	0	114.9
727	Y	29.3	Very low	30.8	Very low	201 Å²	201	140.9 Å²	140.9	79%	0.788	71%	0.713	S	S	*	*	S	Bend	trans	-140.5	41.4	171.3	-88.4	-79.1	0	0	0	111	F723	F723-Y727 HydrophobicContact CE1-CD2 4.15Å; F723-Y727 HydrophobicContact CE1-CE2 4.2Å
728	L	30.3	Very low	30.6	Very low	147 Å²	147	138.9 Å²	138.9	77%	0.77	71%	0.708	S	S	*	*	S	Bend	trans	-135.3	34.2	174.8	-90.7	172.4	0	0	0	111.8
729	D	28.3	Very low	30.9	Very low	144 Å²	144	134 Å²	134	77%	0.77	69%	0.691	S	S	*	*	S	Bend	trans	-151.3	171.8	165.4	-95.8	-44.2	0	0	0	108.6
730	N	29.5	Very low	30.9	Very low	136 Å²	136	133.3 Å²	133.3	73%	0.727	68%	0.683	S	S	*	*	S	Bend	trans	65.9	42.8	176.7	-63.8	-9.7	0	0	0	117.6
731	N	30.5	Very low	31	Very low	115 Å²	115	131.2 Å²	131.2	62%	0.615	68%	0.675	S	S	*	*			trans	-143.4	6.1	151.9	-119.3	-28.3	0	0	0	115.6	N733 T734	N731-N733 PolarHBondContact O-N 3.1Å; N731-T734 PolarHBondContact OD1-OG1 2.87Å
732	T	29.8	Very low	31	Very low	121 Å²	121	130 Å²	130	74%	0.742	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	64.6	169.5	49	0	0	0	0	111.4
733	N	30.3	Very low	31.3	Very low	131 Å²	131	132 Å²	132	70%	0.701	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.8	-13.2	168.6	-103.2	-36.7	0	0	0	115	N731	N731-N733 PolarHBondContact O-N 3.1Å
734	T	30.9	Very low	31.6	Very low	67 Å²	67	128.4 Å²	128.4	41%	0.411	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.9	-15.4	-179.2	33.3	0	0	0	0	114.4	N731	N731-T734 PolarHBondContact OD1-OG1 2.87Å
735	E	30.2	Very low	32	Very low	150 Å²	150	127.1 Å²	127.1	70%	0.701	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-25.8	175.5	-65.8	-161.4	122.7	0	0	113.9	C738 I739	E735-C738 PolarHBondContact O-N 3.2Å; E735-I739 WeakPolarHBondContact O-CG1 3.3Å; E735-I739 PolarHBondContact O-N 3.06Å
736	Q	31.5	Very low	32.3	Very low	121 Å²	121	124.5 Å²	124.5	57%	0.565	63%	0.625	S	S	*	*	H	α-helix	trans	-55.2	-54.5	170.6	-112.2	74.5	7.1	0	0	111.5	C738 I739 E740	Q736-C738 PolarHBondContact O-N 3.16Å; Q736-I739 PolarHBondContact O-N 3.17Å; Q736-I739 VanDerWaalsContact O-N 3.08Å; Q736-E740 PolarHBondContact O-N 3.42Å
737	N	32	Very low	32.5	Very low	114 Å²	114	123.6 Å²	123.6	61%	0.61	62%	0.617	S	S	*	*	H	α-helix	trans	-68	-17.3	-173.3	-77.3	-72.2	0	0	0	114.4
738	C	31	Very low	32.8	Very low	80 Å²	80	117.8 Å²	117.8	54%	0.541	60%	0.602	S	S	.	*	H	α-helix	trans	-97.2	-9.5	174.4	-73	0	0	0	0	114.1	E735 Q736	E735-C738 PolarHBondContact O-N 3.2Å; Q736-C738 PolarHBondContact O-N 3.16Å
739	I	36.5	Very low	33	Very low	91 Å²	91	117.5 Å²	117.5	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-89.6	-45.1	173.8	-71.2	171.5	0	0	0	110.1	E735 Q736 H741 R742 Q743	E735-I739 WeakPolarHBondContact O-CG1 3.3Å; E735-I739 PolarHBondContact O-N 3.06Å; Q736-I739 PolarHBondContact O-N 3.17Å; Q736-I739 VanDerWaalsContact O-N 3.08Å; I739-H741 PolarHBondContact O-N 3.3Å; I739-R742 PolarHBondContact O-N 2.76Å; I739-R742 VanDerWaalsContact O-N 3.11Å; I739-Q743 HydrophobicContact CG2-CG 4.34Å; I739-Q743 WeakPolarHBondContact O-CG 3.47Å; I739-Q743 PolarHBondContact O-N 3.47Å
740	E	34	Very low	33.3	Very low	121 Å²	121	118.9 Å²	118.9	57%	0.565	60%	0.601	S	S	*	*	H	α-helix	trans	-61.6	-40.9	179	-68	179.6	176.3	0	0	112.3	Q736 R742 Q743 S744	Q736-E740 PolarHBondContact O-N 3.42Å; E740-R742 VanDerWaalsContact C-N 3.25Å; E740-R742 PolarHBondContact O-N 3.42Å; E740-Q743 PolarHBondContact O-N 2.9Å; E740-S744 VanDerWaalsContact O-CB 3.31Å; E740-S744 WeakPolarHBondContact O-CB 3.44Å; E740-S744 PolarHBondContact O-N 3.03Å
741	H	36.2	Very low	33.4	Very low	123 Å²	123	120.2 Å²	120.2	57%	0.569	60%	0.6	S	S	*	*	H	α-helix	trans	-69.7	-19.9	178.2	-150.7	-40.8	0	0	0	113.6	I739	I739-H741 PolarHBondContact O-N 3.3Å
742	R	33.8	Very low	33.4	Very low	185 Å²	185	120 Å²	120	70%	0.698	59%	0.594	S	S	*	*	H	α-helix	trans	-90.2	-30.4	172.8	-79.5	-178	171.1	164.9	1.1	113	I739 E740 Q745 Q746	I739-R742 PolarHBondContact O-N 2.76Å; I739-R742 VanDerWaalsContact O-N 3.11Å; E740-R742 VanDerWaalsContact C-N 3.25Å; E740-R742 PolarHBondContact O-N 3.42Å; R742-Q745 PolarHBondContact O-N 3.09Å; R742-Q746 WeakPolarHBondContact O-CG 3.34Å; R742-Q746 PolarHBondContact O-N 3.12Å
743	Q	35.7	Very low	33.4	Very low	112 Å²	112	117.5 Å²	117.5	52%	0.523	59%	0.592	S	S	.	*	H	α-helix	trans	-70.9	-40.4	172	-71.2	173.8	-9.8	0	0	110.7	I739 E740 Q745 Q746 E747	I739-Q743 HydrophobicContact CG2-CG 4.34Å; I739-Q743 WeakPolarHBondContact O-CG 3.47Å; I739-Q743 PolarHBondContact O-N 3.47Å; E740-Q743 PolarHBondContact O-N 2.9Å; Q743-Q745 VanDerWaalsContact C-N 3.26Å; Q743-Q745 PolarHBondContact O-N 3.42Å; Q743-Q746 CarbonylContact O-C 3.57Å; Q743-Q746 PolarHBondContact O-N 3.41Å; Q743-E747 PolarHBondContact O-N 3.16Å
744	S	35.6	Very low	33.3	Very low	66 Å²	66	122.3 Å²	122.3	46%	0.462	60%	0.6	S	S	.	*	H	α-helix	trans	-51.2	-42.3	170.2	179.5	0	0	0	0	112.9	E740 T748	E740-S744 VanDerWaalsContact O-CB 3.31Å; E740-S744 WeakPolarHBondContact O-CB 3.44Å; E740-S744 PolarHBondContact O-N 3.03Å; S744-T748 PolarHBondContact O-N 2.73Å; S744-T748 PolarHBondContact O-OG1 2.97Å
745	Q	37.3	Very low	33.1	Very low	113 Å²	113	127.3 Å²	127.3	53%	0.528	62%	0.619	S	S	.	*	H	α-helix	trans	-77.9	-21.5	178.2	-71.3	179.5	-15.4	0	0	113.9	R742 Q743 T748	R742-Q745 PolarHBondContact O-N 3.09Å; Q743-Q745 VanDerWaalsContact C-N 3.26Å; Q743-Q745 PolarHBondContact O-N 3.42Å; Q745-T748 PolarHBondContact O-OG1 3.17Å
746	Q	36.3	Very low	33.1	Very low	132 Å²	132	128.5 Å²	128.5	62%	0.617	63%	0.629	S	S	*	*	H	α-helix	trans	-88.5	-8.7	174.6	-70.9	-173.4	-0.9	0	0	114	R742 Q743 K750	R742-Q746 WeakPolarHBondContact O-CG 3.34Å; R742-Q746 PolarHBondContact O-N 3.12Å; Q743-Q746 CarbonylContact O-C 3.57Å; Q743-Q746 PolarHBondContact O-N 3.41Å; Q746-K750 WeakPolarHBondContact O-CD 3.47Å; Q746-K750 WeakPolarHBondContact O-CG 3.43Å
747	E	34.2	Very low	33	Very low	125 Å²	125	130 Å²	130	58%	0.584	64%	0.641	S	S	*	*	H	α-helix	trans	-96.8	-24.6	169.9	-68.9	-154.9	110.8	0	0	113.7	Q743 K750 K751	Q743-E747 PolarHBondContact O-N 3.16Å; E747-K750 PolarHBondContact O-N 2.91Å; E747-K751 PolarHBondContact O-N 3.33Å
748	T	35.1	Very low	32.8	Very low	79 Å²	79	130.9 Å²	130.9	49%	0.485	65%	0.65	S	S	.	*	H	α-helix	trans	-71.3	-41.5	174.9	44.3	0	0	0	0	112.5	S744 Q745 K750 K751 K752	S744-T748 PolarHBondContact O-N 2.73Å; S744-T748 PolarHBondContact O-OG1 2.97Å; Q745-T748 PolarHBondContact O-OG1 3.17Å; T748-K750 PolarHBondContact O-N 3.48Å; T748-K751 PolarHBondContact O-N 3.05Å; T748-K752 PolarHBondContact O-N 2.94Å
749	D	34.5	Very low	32.8	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-9.8	174.4	-77.5	-18.2	0	0	0	113.5
750	K	34.3	Very low	32.3	Very low	172 Å²	172	138 Å²	138	75%	0.748	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-1.3	167.5	-72.3	177.6	-176.2	165.5	0	113.7	Q746 E747 T748	Q746-K750 WeakPolarHBondContact O-CD 3.47Å; Q746-K750 WeakPolarHBondContact O-CG 3.43Å; E747-K750 PolarHBondContact O-N 2.91Å; T748-K750 PolarHBondContact O-N 3.48Å
751	K	32	Very low	32.1	Very low	164 Å²	164	138.8 Å²	138.8	71%	0.713	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-12.3	-178	-83.8	174.4	176.1	165.1	0	115.7	E747 T748	E747-K751 PolarHBondContact O-N 3.33Å; T748-K751 PolarHBondContact O-N 3.05Å
752	K	30.9	Very low	32	Very low	111 Å²	111	138.9 Å²	138.9	48%	0.483	70%	0.7	S	S	.	*	S	Bend	trans	-94.4	18.9	172.4	-70.1	-166.7	173.2	-171.9	0	114.9	T748 N972 N973	T748-K752 PolarHBondContact O-N 2.94Å; K752-N972 PolarHBondContact NZ-OD1 3.36Å; K752-N973 HydrophobicContact CD-CB 4.33Å; K752-N973 PolarHBondContact NZ-O 2.8Å
753	G	29	Very low	31.9	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	71%	0.705	S	S	*	*	S	Bend	trans	-111.9	26.8	178.9	0	0	0	0	0	115.6
754	R	27.3	Very low	31.7	Very low	233 Å²	233	136.4 Å²	136.4	88%	0.879	72%	0.718	S	S	*	*			trans	-146.4	71.1	179.9	-76.2	-172.3	172.9	178.1	-1.8	112.8
755	E	28.2	Very low	31.3	Very low	171 Å²	171	142.9 Å²	142.9	80%	0.799	73%	0.733	S	S	*	*			trans	-171.3	75.6	152.6	-112.9	164.3	-156.5	0	0	111.9
756	L	30.5	Very low	30.8	Very low	176 Å²	176	144.3 Å²	144.3	92%	0.921	74%	0.737	S	S	*	*			trans	-161.2	76.3	156.7	-115.4	163.6	0	0	0	109.2
757	N	27.5	Very low	30.4	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	75%	0.747	S	S	*	*			trans	-74.6	142.6	169.8	-75.3	-51.1	0	0	0	110
758	V	29	Very low	30.1	Very low	132 Å²	132	150.1 Å²	150.1	80%	0.8	76%	0.759	S	S	*	*				173	138.6	126.7	149.3	0	0	0	0	109.5
759	L	30.1	Very low	29.8	Very low	150 Å²	150	152.2 Å²	152.2	79%	0.785	77%	0.772	S	S	*	*			trans	84.7	71	177.8	-63.6	162.4	0	0	0	119.7
760	K	27	Very low	29.5	Very low	172 Å²	172	153.7 Å²	153.7	75%	0.748	78%	0.775	S	S	*	*				39.6	131.1	124.3	-58	176.9	-178.3	178	0	119.4	T762	K760-T762 HydrophobicContact CD-CG2 4.41Å
761	P	28.8	Very low	29.4	Very low	137 Å²	137	152 Å²	152	89%	0.89	77%	0.773	S	S	*	*				-111.8	164.4	94	-12.7	30.5	0	0	0	114.4
762	T	35.8	Very low	29.2	Very low	125 Å²	125	149.3 Å²	149.3	77%	0.767	78%	0.775	S	S	*	*			trans	-112.9	153.2	-173.8	44.2	0	0	0	0	114.7	K760	K760-T762 HydrophobicContact CD-CG2 4.41Å
763	T	30.5	Very low	29.2	Very low	131 Å²	131	147.8 Å²	147.8	80%	0.804	79%	0.79	S	S	*	*			trans	-110.3	146.1	-170.4	51.6	0	0	0	0	114.7
764	S	32	Very low	29.4	Very low	114 Å²	114	155.1 Å²	155.1	80%	0.797	80%	0.797	S	S	*	*			trans	-170.7	121.2	147.9	-168.9	0	0	0	0	108.3
765	W	25.8	Very low	29.4	Very low	202 Å²	202	150.9 Å²	150.9	77%	0.765	79%	0.787	S	S	*	*				90.8	107.7	53	-90.4	47.6	0	0	0	116.2
766	K	27.1	Very low	29.5	Very low	143 Å²	143	149.7 Å²	149.7	62%	0.622	78%	0.779	S	S	*	*			trans	49.6	117.9	144.4	-57.2	174.9	-179.4	168.5	0	120.2
767	N	28.8	Very low	29.6	Very low	153 Å²	153	150.5 Å²	150.5	82%	0.818	77%	0.771	S	S	*	*				171.2	158.7	102.9	-91.7	-42.4	0	0	0	116.9
768	R	27.4	Very low	29.6	Very low	225 Å²	225	153.3 Å²	153.3	85%	0.849	77%	0.771	S	S	*	*			trans	64.5	99.2	153.9	-75	-177.4	177	-165.5	-1.4	123.3
769	T	28.4	Very low	29.7	Very low	123 Å²	123	152.7 Å²	152.7	76%	0.755	76%	0.762	S	S	*	*				28.4	154.1	113.5	51.2	0	0	0	0	124.5
770	Q	28.2	Very low	29.5	Very low	173 Å²	173	154 Å²	154	81%	0.808	76%	0.761	S	S	*	*			trans	81.7	142.1	163.5	-73.5	-172.6	1.4	0	0	116.4
771	L	33	Very low	29.6	Very low	138 Å²	138	152 Å²	152	72%	0.723	76%	0.758	S	S	*	*			cis	-146.7	133.9	-7.2	-89.3	142.7	0	0	0	106.5
772	S	28.9	Very low	29.7	Very low	107 Å²	107	154.9 Å²	154.9	75%	0.748	76%	0.76	S	S	*	*				79.8	120.7	73.6	94.8	0	0	0	0	117.8
773	G	30.6	Very low	29.4	Very low	78 Å²	78	152.6 Å²	152.6	80%	0.804	76%	0.761	S	S	*	*			trans	96.8	150.6	166.2	0	0	0	0	0	116.2
774	R	31.7	Very low	29.5	Very low	223 Å²	223	156.1 Å²	156.1	84%	0.842	77%	0.768	S	S	*	*			cis	-160.9	139.5	-10.7	-135.4	-175	178.5	162.5	3.8	111.3
775	Q	29	Very low	29.5	Very low	143 Å²	143	153.8 Å²	153.8	67%	0.668	76%	0.762	S	S	*	*			trans	19.9	151.4	134.4	-60.8	172.5	-33	0	0	120.8
776	K	29.7	Very low	29.8	Very low	146 Å²	146	152 Å²	152	64%	0.635	77%	0.768	S	S	*	*			cis	-175.5	176.4	-3.3	-114.9	-176.1	173.1	-172.7	0	110.2
777	Y	31.5	Very low	30	Very low	194 Å²	194	151 Å²	151	76%	0.761	78%	0.778	S	S	*	*			trans	71.3	161.2	162	-60.9	-63.4	0	0	0	118.1
778	W	27.8	Very low	30.2	Very low	210 Å²	210	147.2 Å²	147.2	80%	0.795	77%	0.768	S	S	*	*			cis	-168.5	142.4	-49.8	-131.9	48.6	0	0	0	109.4
779	I	31.1	Very low	30.5	Very low	119 Å²	119	144.7 Å²	144.7	61%	0.61	76%	0.763	S	S	*	*			trans	47.6	126.8	142.7	-77.1	-161.9	0	0	0	119
780	K	26.9	Very low	30.8	Very low	177 Å²	177	146.2 Å²	146.2	77%	0.77	76%	0.762	S	S	*	*			cis	-175.3	-177.6	49	-146.9	174.5	-178.6	-178.5	0	112.8
781	N	29.4	Very low	30.9	Very low	130 Å²	130	147.2 Å²	147.2	70%	0.695	76%	0.764	S	S	*	*			trans	75.5	102.8	152.4	-72.1	-2	0	0	0	121.9
782	Q	30	Very low	31.4	Very low	199 Å²	199	145 Å²	145	93%	0.93	76%	0.758	S	S	*	*			trans	13.4	144.7	132.5	-54	-172.3	2.8	0	0	122.8
783	G	30.4	Very low	31.8	Very low	76 Å²	76	146.5 Å²	146.5	78%	0.784	76%	0.757	S	S	*	*			trans	-171.2	146.5	157.9	0	0	0	0	0	113
784	H	32	Very low	32.1	Very low	205 Å²	205	149.2 Å²	149.2	95%	0.949	75%	0.752	S	S	*	*			trans	-81.6	166.7	171.5	-62.4	-78.6	0	0	0	111.1
785	G	31.9	Very low	32.3	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	75%	0.745	S	S	*	*			cis	157.1	176	-6.8	0	0	0	0	0	113.2
786	N	31.3	Very low	32.6	Very low	166 Å²	166	145.3 Å²	145.3	89%	0.888	75%	0.75	S	S	*	*			trans	61.2	147	158	-72.8	-4.5	0	0	0	123.8
787	S	30.9	Very low	32.8	Very low	120 Å²	120	144.6 Å²	144.6	84%	0.839	75%	0.753	S	S	*	*			trans	77.4	143.8	146.7	-174.9	0	0	0	0	119.7
788	A	33.7	Very low	32.9	Very low	74 Å²	74	139.7 Å²	139.7	61%	0.612	74%	0.744	S	S	*	*			cis	-173.1	175.5	-25.9	0	0	0	0	0	109.9
789	K	33.7	Very low	33	Very low	172 Å²	172	138.9 Å²	138.9	75%	0.748	75%	0.746	S	S	*	*			trans	70.9	158.8	160.9	-64.7	156.8	153.2	-92.6	0	116.3
790	E	34.7	Very low	33.1	Very low	156 Å²	156	145.3 Å²	145.3	73%	0.729	76%	0.762	S	S	*	*			cis	-139.8	-156.3	2	-144.7	113.9	-122.7	0	0	112.6
791	K	30.5	Very low	33.3	Very low	194 Å²	194	143 Å²	143	84%	0.843	76%	0.763	S	S	*	*			trans	-154.4	-177.5	-163.8	-115.4	-168.9	174.1	-169.2	0	110.1
792	P	43.8	Very low	33.4	Very low	91 Å²	91	142.7 Å²	142.7	59%	0.591	77%	0.768	S	S	*	*			cis	-137	-145.3	-27.2	32.5	-7	0	0	0	112.7
793	D	36.9	Very low	33.3	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	76%	0.761	S	S	*	*			trans	80.6	147.2	153.8	-63.3	-14.2	0	0	0	119.7
794	I	36.5	Very low	33.2	Very low	135 Å²	135	142.2 Å²	142.2	69%	0.692	76%	0.763	S	S	*	*			cis	-158.6	154.9	7	-130.4	169.5	0	0	0	114.7
795	I	36.2	Very low	32.9	Very low	138 Å²	138	143.1 Å²	143.1	71%	0.708	76%	0.759	S	S	*	*			trans	68.6	121.2	154.5	-71.1	172.9	0	0	0	124.5
796	L	35.5	Very low	32.7	Very low	147 Å²	147	145.7 Å²	145.7	77%	0.77	76%	0.757	S	S	*	*			trans	27.7	155.8	133.2	-57	162.3	0	0	0	123.1
797	D	34.6	Very low	32.6	Very low	130 Å²	130	144 Å²	144	70%	0.695	75%	0.748	S	S	*	*			cis	-153.6	166.7	2.7	-149.5	-3.5	0	0	0	116
798	T	33	Very low	32.5	Very low	92 Å²	92	144.5 Å²	144.5	56%	0.564	74%	0.74	S	S	*	*			trans	40.2	118.3	157.9	49.6	0	0	0	0	125.1
799	K	30.1	Very low	32.4	Very low	193 Å²	193	147.4 Å²	147.4	84%	0.839	74%	0.744	S	S	*	*				63.9	95.6	126.3	-60.4	171.6	-176.7	169.3	0	121.2
800	R	33	Very low	32.2	Very low	253 Å²	253	145.1 Å²	145.1	96%	0.955	74%	0.736	S	S	*	*				-163	154.5	121.7	-108.5	170.4	-176.2	-173.4	1.4	111.6
801	T	30.3	Very low	32.2	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	74%	0.741	S	S	*	*			trans	-69.4	152.1	173.8	46.6	0	0	0	0	111.4
802	P	32.3	Very low	32.3	Very low	123 Å²	123	143.4 Å²	143.4	80%	0.799	73%	0.732	S	S	*	*				-155.9	-168.1	63.6	44	-22	0	0	0	118.7
803	V	27.7	Very low	31.6	Very low	129 Å²	129	149 Å²	149	78%	0.782	75%	0.747	S	S	*	*			trans	-37.6	143.6	170	-175	0	0	0	0	116.8
804	V	28.7	Very low	31.5	Very low	137 Å²	137	148.2 Å²	148.2	83%	0.83	75%	0.75	S	S	*	*				-179.6	170.6	129.7	147.4	0	0	0	0	111.1
805	W	25.9	Very low	31.3	Very low	224 Å²	224	147.4 Å²	147.4	85%	0.848	76%	0.756	S	S	*	*			trans	-79.7	170.6	-174	-77	18	0	0	0	116
806	D	27.5	Very low	30.9	Very low	118 Å²	118	148.8 Å²	148.8	63%	0.631	76%	0.764	S	S	*	*				117.7	124.3	123.6	-99	-15.5	0	0	0	120.9
807	N	29.3	Very low	30.7	Very low	130 Å²	130	147.5 Å²	147.5	70%	0.695	76%	0.762	S	S	*	*			trans	66.9	163.3	148.2	-67	-48.7	0	0	0	118.8
808	L	29.8	Very low	30.6	Very low	131 Å²	131	147.1 Å²	147.1	69%	0.686	77%	0.767	S	S	*	*			cis	-155.3	148.3	11.7	-157.5	62.6	0	0	0	111
809	I	29.9	Very low	30.4	Very low	135 Å²	135	150.9 Å²	150.9	69%	0.692	78%	0.778	S	S	*	*			trans	50.7	142.8	143.1	-74.5	178	0	0	0	120.4
810	E	30.3	Very low	30.2	Very low	125 Å²	125	149.2 Å²	149.2	58%	0.584	78%	0.775	S	S	*	*			cis	-168.8	168.2	-3.2	-117.5	-174.6	-172.5	0	0	109.9
811	K	34	Very low	30.1	Very low	191 Å²	191	144.4 Å²	144.4	83%	0.83	77%	0.768	S	S	*	*				166.9	91.3	113	-88	178.3	-176.7	167.9	0	115.4
812	N	32.6	Very low	29.9	Very low	123 Å²	123	146.6 Å²	146.6	66%	0.658	77%	0.77	S	S	*	*			trans	22.6	131.4	136.5	-62.4	-43.4	0	0	0	122.6
813	K	30.7	Very low	29.7	Very low	208 Å²	208	146.9 Å²	146.9	90%	0.904	77%	0.773	S	S	*	*				-164.9	140.2	109.4	-108.8	174.3	-176.9	179.5	0	114.3
814	P	33.9	Very low	29.5	Very low	122 Å²	122	149.7 Å²	149.7	79%	0.792	78%	0.775	S	S	*	*			trans	-126.6	167.7	-177.3	43.3	-32.3	0	0	0	116.2
815	S	32.4	Very low	29.5	Very low	118 Å²	118	149.6 Å²	149.6	83%	0.825	77%	0.77	S	S	*	*			trans	-177.1	174.7	153.2	58.2	0	0	0	0	110.9
816	L	27.9	Very low	29.5	Very low	167 Å²	167	144.2 Å²	144.2	87%	0.874	76%	0.758	S	S	*	*				-156.9	172.3	-73.1	-123.2	167.9	0	0	0	108.2
817	V	31.6	Very low	29.4	Very low	120 Å²	120	148.8 Å²	148.8	73%	0.727	77%	0.768	S	S	*	*			trans	-108.6	154.4	-165.8	179.5	0	0	0	0	112.5
818	P	32.6	Very low	29.2	Very low	122 Å²	122	151.5 Å²	151.5	79%	0.792	77%	0.774	S	S	*	*			trans	-119.1	156.8	149.8	35.6	-25	0	0	0	113.6
819	Q	27.3	Very low	29.1	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.794	78%	0.78	S	S	*	*			trans	-111.2	170.6	-172	-57.9	171.1	-67.9	0	0	112.9
820	M	26.8	Very low	28.8	Very low	159 Å²	159	155.3 Å²	155.3	78%	0.783	79%	0.785	S	S	*	*			trans	60.3	129.1	150.7	-78.9	173	157.3	0	0	118.3
821	N	30.8	Very low	28.7	Very low	152 Å²	152	155.7 Å²	155.7	81%	0.813	79%	0.79	S	S	*	*				-159.1	171.6	74.1	-103.3	-41.5	0	0	0	114.6
822	Q	25.4	Very low	28.4	Very low	175 Å²	175	154 Å²	154	82%	0.818	79%	0.79	S	S	*	*			trans	-87	154	178.3	-59.2	163.7	-40	0	0	112.2
823	C	28	Very low	28.3	Very low	128 Å²	128	151.9 Å²	151.9	87%	0.865	80%	0.797	S	S	*	*				-177.2	158.3	116.4	-103.3	0	0	0	0	113.8
824	F	24.6	Very low	28.1	Very low	188 Å²	188	149.4 Å²	149.4	83%	0.825	79%	0.794	S	S	*	*			trans	-78.5	149.9	175	-73.3	-118.2	0	0	0	110.3
825	N	28.7	Very low	27.9	Very low	135 Å²	135	155.5 Å²	155.5	72%	0.722	80%	0.801	S	S	*	*				-175.9	165.6	78.3	-101.1	-63.2	0	0	0	115.2
826	N	25.8	Very low	27.6	Very low	112 Å²	112	155.5 Å²	155.5	60%	0.599	80%	0.8	S	S	*	*			trans	-33.3	152.3	162.9	-49.7	-34.7	0	0	0	114.9
827	Y	25.9	Very low	27.7	Very low	214 Å²	214	154.7 Å²	154.7	84%	0.839	80%	0.801	S	S	*	*				-163.1	171.6	63.3	-102.1	-76.4	0	0	0	116.8
828	F	24.6	Very low	27.5	Very low	187 Å²	187	155.8 Å²	155.8	82%	0.82	80%	0.803	S	S	*	*			trans	-51.4	178.1	177.6	-96.9	-107.8	0	0	0	119.2
829	V	27.3	Very low	27.3	Very low	134 Å²	134	155.7 Å²	155.7	81%	0.812	81%	0.806	S	S	*	*			trans	107.4	140.8	150.6	-179.6	0	0	0	0	115.3
830	R	24.4	Very low	27.5	Very low	212 Å²	212	152.4 Å²	152.4	80%	0.8	81%	0.807	S	S	*	*			cis	-178.9	168.4	-32.3	-156.1	-178.7	-169	175.1	3.7	107.3
831	L	28.3	Very low	27.4	Very low	132 Å²	132	153.1 Å²	153.1	69%	0.691	81%	0.809	S	S	*	*			trans	71.6	126.9	163.7	-56.4	175.1	0	0	0	115.4
832	N	26.2	Very low	27.5	Very low	156 Å²	156	152.2 Å²	152.2	83%	0.834	81%	0.811	S	S	*	*				81.3	119.4	56.8	-73.5	-10.9	0	0	0	114.3
833	G	30.8	Very low	27.5	Very low	79 Å²	79	148.4 Å²	148.4	81%	0.814	80%	0.804	S	S	*	*			trans	-177.9	107.2	170.2	0	0	0	0	0	113.3
834	N	27.9	Very low	27.8	Very low	156 Å²	156	150 Å²	150	83%	0.834	80%	0.802	S	S	*	*			trans	-95.7	147.1	173.9	-60.4	-85	0	0	0	110.6
835	R	29.4	Very low	28.1	Very low	250 Å²	250	148.4 Å²	148.4	94%	0.943	80%	0.802	S	S	*	*				-179.7	164	118.6	-98.3	167.3	-170.5	-159.3	3.2	113.2
836	C	24.9	Very low	28	Very low	118 Å²	118	149.5 Å²	149.5	80%	0.797	81%	0.808	S	S	*	*			trans	-108.2	156.1	-174.8	-42.8	0	0	0	0	111.4
837	V	31.5	Very low	28.5	Very low	149 Å²	149	149.5 Å²	149.5	90%	0.903	81%	0.814	S	S	*	*			trans	-140	157.5	149.5	-169.8	0	0	0	0	108.1
838	N	27	Very low	28.7	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	81%	0.811	S	S	*	*			trans	-102.8	175.9	-165.5	-74.2	-38.7	0	0	0	115.3
839	S	27.1	Very low	28.8	Very low	120 Å²	120	146.4 Å²	146.4	84%	0.839	82%	0.816	S	S	*	*			trans	81.5	115.1	144.3	69.1	0	0	0	0	121
840	A	32.3	Very low	29	Very low	101 Å²	101	143.6 Å²	143.6	84%	0.835	81%	0.814	S	S	*	*				-157.6	137.7	127.5	0	0	0	0	0	109.2
841	Q	25.3	Very low	29.5	Very low	173 Å²	173	137.9 Å²	137.9	81%	0.808	81%	0.812	S	S	*	*			trans	-118	163.6	162.9	-93.3	-157.5	-11	0	0	109
842	P	31.9	Very low	29.5	Very low	134 Å²	134	140.8 Å²	140.8	87%	0.87	82%	0.82	S	S	*	*				-131.4	162.7	119.6	37.5	-31	0	0	0	113.5
843	S	26.5	Very low	29.8	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	80%	0.801	S	S	*	*			trans	-124.7	140.3	-171.1	50.5	0	0	0	0	112.5
844	I	33.1	Very low	29.9	Very low	162 Å²	162	137.4 Å²	137.4	83%	0.831	79%	0.794	S	S	*	*			trans	-143.1	105	161.9	-58.2	-175.7	0	0	0	110.9
845	N	30.8	Very low	30.1	Very low	155 Å²	155	138.1 Å²	138.1	83%	0.829	79%	0.792	S	S	*	*			trans	45.6	126.6	141.2	-55.4	-11	0	0	0	124.8
846	N	27.3	Very low	30.2	Very low	158 Å²	158	133.9 Å²	133.9	85%	0.845	78%	0.783	S	S	*	*			trans	-51.8	178.8	154.8	-86	-18.9	0	0	0	115.5
847	P	35.5	Very low	30.4	Very low	111 Å²	111	134 Å²	134	72%	0.721	78%	0.775	S	S	*	*			cis	-122.1	-149.6	10.1	23.5	3.9	0	0	0	112.7
848	T	30.6	Very low	30.4	Very low	126 Å²	126	134.9 Å²	134.9	77%	0.773	77%	0.769	S	S	*	*			cis	-155.5	-158.4	16.5	-31.2	0	0	0	0	112.6
849	F	27.8	Very low	30.5	Very low	210 Å²	210	136.7 Å²	136.7	92%	0.921	77%	0.77	S	S	*	*			trans	-121.4	153.8	-165.8	-88.4	-117.4	0	0	0	115
850	G	30.1	Very low	30.7	Very low	76 Å²	76	136.9 Å²	136.9	78%	0.784	76%	0.76	S	S	*	*			trans	82.2	165.5	135.9	0	0	0	0	0	120.3
851	A	34.4	Very low	30.7	Very low	92 Å²	92	139.8 Å²	139.8	76%	0.76	76%	0.756	S	S	*	*			cis	-163.9	142.2	-20	0	0	0	0	0	112.9
852	F	29.5	Very low	30.9	Very low	193 Å²	193	138.7 Å²	138.7	85%	0.846	75%	0.751	S	S	*	*			trans	61.7	162.9	152.6	-84.5	-108.3	0	0	0	122.2
853	P	32.7	Very low	30.9	Very low	68 Å²	68	138.8 Å²	138.8	44%	0.442	74%	0.74	S	S	.	*			trans	-140.2	-157.4	-151.8	45.7	-26.2	0	0	0	116.4	K695	K695-P853 HydrophobicContact CG-CB 4.33Å
854	S	31.7	Very low	31.2	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	75%	0.745	S	S	*	*			trans	87.8	125.8	145.7	63.4	0	0	0	0	123.4
855	H	33.2	Very low	31.1	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.796	74%	0.737	S	S	*	*			trans	56.8	126.4	138	-80.2	-89.7	0	0	0	123.2
856	Q	31.6	Very low	31.3	Very low	160 Å²	160	140.7 Å²	140.7	75%	0.748	74%	0.738	S	S	*	*				-179.6	124.3	108.6	-78.7	-101.1	-0.7	0	0	107.2
857	L	29.5	Very low	31.5	Very low	122 Å²	122	142 Å²	142	64%	0.639	74%	0.739	S	S	*	*				57.3	109.2	92.1	-73.9	160.7	0	0	0	113.1
858	H	29.9	Very low	31.3	Very low	166 Å²	166	141.3 Å²	141.3	77%	0.769	74%	0.736	S	S	*	*				106.5	148.2	66.1	-125.6	57.9	0	0	0	110.6
859	K	30.7	Very low	31.3	Very low	183 Å²	183	144.8 Å²	144.8	80%	0.796	74%	0.743	S	S	*	*			trans	73.7	160	171	-59.3	176.8	169.4	-175.9	0	116.6
860	I	29.5	Very low	31.3	Very low	124 Å²	124	145.8 Å²	145.8	64%	0.636	74%	0.741	S	S	*	*			cis	-162.9	154.8	-19.6	-106.3	169.8	0	0	0	109.5
861	H	32.5	Very low	31.4	Very low	162 Å²	162	148.2 Å²	148.2	75%	0.75	74%	0.74	S	S	*	*			trans	56.5	-179.6	168.7	-72.3	-55.6	0	0	0	118.7
862	Q	30.5	Very low	31.3	Very low	149 Å²	149	151.9 Å²	151.9	70%	0.696	74%	0.741	S	S	*	*				170.8	147.9	-57.1	-147.9	177.2	18.5	0	0	109.4
863	Q	30.6	Very low	31.4	Very low	136 Å²	136	148.3 Å²	148.3	64%	0.636	74%	0.741	S	S	*	*			trans	81.7	132.5	164	-55.3	-168.5	23.9	0	0	121.6
864	K	33.1	Very low	31.3	Very low	176 Å²	176	148.7 Å²	148.7	77%	0.765	76%	0.757	S	S	*	*			trans	71.5	147.2	147.8	-70.5	159.2	-179.7	159.1	0	118.6
865	S	32.6	Very low	31.2	Very low	94 Å²	94	151.2 Å²	151.2	66%	0.657	76%	0.763	S	S	*	*			cis	-170.3	152.6	-12.3	46	0	0	0	0	113.9
866	Q	33.4	Very low	31.1	Very low	181 Å²	181	151.1 Å²	151.1	85%	0.846	76%	0.76	S	S	*	*			trans	61.6	119.3	151.3	-70.3	173.6	3.2	0	0	121.6
867	Q	32.2	Very low	31.1	Very low	187 Å²	187	152.5 Å²	152.5	87%	0.874	76%	0.76	S	S	*	*				-179.2	105.4	116.2	-94.2	176.2	8.8	0	0	106.7
868	S	30.3	Very low	31.2	Very low	95 Å²	95	154 Å²	154	66%	0.664	77%	0.769	S	S	*	*				81.6	109	62.3	72.3	0	0	0	0	114.9
869	H	31.1	Very low	31.3	Very low	199 Å²	199	150.1 Å²	150.1	92%	0.921	77%	0.774	S	S	*	*			trans	-160.2	139.1	136	-101	-72.4	0	0	0	110.9
870	R	27.3	Very low	31.3	Very low	231 Å²	231	145 Å²	145	87%	0.872	77%	0.772	S	S	*	*			trans	-81.9	170.5	163.3	-79.9	173.9	161.5	165.7	-8.6	108.3
871	V	33.8	Very low	31.6	Very low	127 Å²	127	146.8 Å²	146.8	77%	0.77	78%	0.781	S	S	*	*				-161.8	123.9	52.7	170.2	0	0	0	0	106.6
872	H	32.2	Very low	31.7	Very low	169 Å²	169	147.2 Å²	147.2	78%	0.782	78%	0.783	S	S	*	*				62.8	123.8	92	-110.8	43.7	0	0	0	116.9
873	S	30.5	Very low	31.9	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	79%	0.789	S	S	*	*			trans	50.9	124.1	155.4	59.1	0	0	0	0	121.5
874	G	31.6	Very low	31.9	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	80%	0.8	S	S	*	*			trans	166.6	132.1	161.7	0	0	0	0	0	112.9
875	N	29.6	Very low	32.2	Very low	147 Å²	147	144 Å²	144	79%	0.786	80%	0.799	S	S	*	*			trans	-94.4	165.7	175.3	-76.9	-21.6	0	0	0	112
876	F	31	Very low	32.2	Very low	170 Å²	170	145.1 Å²	145.1	75%	0.746	80%	0.803	S	S	*	*			trans	88	128.9	149.5	-70	-59.6	0	0	0	122.4
877	Y	32.4	Very low	32.2	Very low	189 Å²	189	143.9 Å²	143.9	74%	0.741	80%	0.8	S	S	*	*			trans	62.3	117	147.4	-68.8	-59.7	0	0	0	123.5
878	N	30.6	Very low	32.3	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	80%	0.796	S	S	*	*				41.7	126.1	129.2	-60.7	-1.2	0	0	0	121.5
879	G	32.3	Very low	32.4	Very low	84 Å²	84	145 Å²	145	87%	0.866	80%	0.803	S	S	*	*			trans	160.5	125.9	156.5	0	0	0	0	0	111.8
880	G	30.7	Very low	32.7	Very low	74 Å²	74	141.6 Å²	141.6	76%	0.763	80%	0.799	S	S	*	*			trans	-124	-161.3	-174.5	0	0	0	0	0	114.9
881	I	35.2	Very low	33	Very low	162 Å²	162	136.2 Å²	136.2	83%	0.831	79%	0.791	S	S	*	*			trans	89.6	98.8	159.5	-59.8	176.6	0	0	0	118.4
882	H	35.3	Very low	32.9	Very low	171 Å²	171	137.9 Å²	137.9	79%	0.792	80%	0.796	S	S	*	*			trans	70.7	135.8	133.1	-80.8	-105.3	0	0	0	125.9
883	S	33.6	Very low	32.9	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	80%	0.797	S	S	*	*			trans	100.1	141.7	133.9	71.5	0	0	0	0	121.5
884	N	31	Very low	32.9	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	80%	0.798	S	S	*	*			trans	-119	156.7	-179.3	-84.6	-20	0	0	0	110.4
885	P	39.5	Very low	32.9	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	80%	0.801	S	S	*	*			trans	-145.4	128	140.5	30.9	-11.2	0	0	0	117.6
886	T	33.3	Very low	32.9	Very low	118 Å²	118	141 Å²	141	72%	0.724	80%	0.803	S	S	*	*				75.7	100.2	118.1	-49.1	0	0	0	0	124.1
887	I	33.8	Very low	33.3	Very low	154 Å²	154	138.5 Å²	138.5	79%	0.79	80%	0.804	S	S	*	*			trans	57.2	130.9	132.8	-38.4	169.6	0	0	0	122.5
888	I	34.3	Very low	33.4	Very low	156 Å²	156	134.4 Å²	134.4	80%	0.8	81%	0.809	S	S	*	*				161.6	142.1	124.5	-80.3	172.5	0	0	0	112.2
889	N	31.4	Very low	33.3	Very low	150 Å²	150	133.8 Å²	133.8	80%	0.802	81%	0.806	S	S	*	*			trans	-120.3	160.7	178.5	-87.1	-12.6	0	0	0	112.3
890	P	38.2	Very low	33.4	Very low	128 Å²	128	137.8 Å²	137.8	83%	0.831	81%	0.806	S	S	*	*				-142.5	-160.6	121.9	37.8	-21.7	0	0	0	114.9
891	T	33.4	Very low	33.5	Very low	117 Å²	117	140.1 Å²	140.1	72%	0.718	80%	0.801	S	S	*	*			trans	-134.4	160.9	-148.7	53.2	0	0	0	0	118.1
892	N	30.8	Very low	33.4	Very low	163 Å²	163	138.4 Å²	138.4	87%	0.872	80%	0.804	S	S	*	*			trans	71.7	140.9	150.9	-65.8	-10.6	0	0	0	122.4
893	G	32.1	Very low	33	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	81%	0.808	S	S	*	*			trans	177.9	151.1	168.1	0	0	0	0	0	112.3
894	Q	29.9	Very low	33	Very low	182 Å²	182	137.5 Å²	137.5	85%	0.85	80%	0.801	S	S	*	*			trans	-128.8	153.7	-175.4	-62.2	172.5	-47	0	0	111.9
895	N	32.7	Very low	32.9	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	80%	0.797	S	S	*	*				174.4	172.9	126.1	-93.5	-49.4	0	0	0	115.6
896	L	29.7	Very low	32.5	Very low	157 Å²	157	141.8 Å²	141.8	82%	0.822	80%	0.796	S	S	*	*			trans	-104.4	-162.8	-171.7	-74.9	149.8	0	0	0	111.9
897	P	39.4	Very low	32.2	Very low	119 Å²	119	143 Å²	143	77%	0.773	79%	0.794	S	S	*	*				-131.7	-178.1	-64.5	39.7	-24.7	0	0	0	113.6
898	A	33.8	Very low	31.9	Very low	102 Å²	102	141.5 Å²	141.5	84%	0.843	79%	0.787	S	S	*	*			trans	-161.1	152.9	156	0	0	0	0	0	114.5
899	N	28.8	Very low	31.7	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	79%	0.788	S	S	*	*			trans	-77.8	163.7	180	-83.5	-4.7	0	0	0	115
900	L	35.5	Very low	31.4	Very low	169 Å²	169	139.9 Å²	139.9	89%	0.885	79%	0.788	S	S	*	*				-161.8	151.4	121.2	-108	163.9	0	0	0	112.6
901	D	31.3	Very low	31.1	Very low	122 Å²	122	141.1 Å²	141.1	65%	0.652	79%	0.788	S	S	*	*			trans	-97.9	161	-160.4	-54.8	-96.9	0	0	0	116
902	S	33	Very low	31.1	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	79%	0.792	S	S	*	*				-176.2	151.9	121.3	30	0	0	0	0	112.6
903	Q	28.3	Very low	30.8	Very low	189 Å²	189	140 Å²	140	88%	0.883	79%	0.787	S	S	*	*			trans	-113.4	161	-173.2	-59.8	172.4	-13.4	0	0	111.8
904	A	32.7	Very low	30.8	Very low	80 Å²	80	143.5 Å²	143.5	66%	0.661	79%	0.787	S	S	*	*				158.1	164	107.2	0	0	0	0	0	115.9
905	F	29.1	Very low	30.8	Very low	181 Å²	181	140.1 Å²	140.1	79%	0.794	78%	0.779	S	S	*	*			trans	80	89.3	161.2	-69.7	-71.7	0	0	0	122.8
906	Y	30	Very low	30.4	Very low	186 Å²	186	139 Å²	139	73%	0.729	78%	0.778	S	S	*	*				58.2	122.6	115.9	-80.2	-116.5	0	0	0	119.6
907	Q	28.8	Very low	30.4	Very low	143 Å²	143	138.1 Å²	138.1	67%	0.668	78%	0.778	S	S	*	*				70.3	139.9	83.6	-90.6	-175.9	-84.1	0	0	114.2
908	D	27.2	Very low	29.7	Very low	122 Å²	122	141.9 Å²	141.9	65%	0.652	78%	0.782	S	S	*	*			cis	-159.1	-165	4.1	-145.8	-34.2	0	0	0	111.9
909	C	29.9	Very low	29.5	Very low	120 Å²	120	142.8 Å²	142.8	81%	0.811	78%	0.782	S	S	*	*			trans	107.3	123.8	158.6	-62.5	0	0	0	0	118.3
910	N	25.9	Very low	29.4	Very low	152 Å²	152	144 Å²	144	81%	0.813	78%	0.783	S	S	*	*			trans	-108.2	-160.1	173.9	-88.9	-56.4	0	0	0	110.9
911	D	31.4	Very low	28.9	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	78%	0.777	S	S	*	*			trans	81	141	176.8	-55.4	-24.1	0	0	0	115.3
912	T	32.4	Very low	28.7	Very low	132 Å²	132	143.5 Å²	143.5	81%	0.81	79%	0.785	S	S	*	*			cis	-134.2	155.2	23.4	-28.9	0	0	0	0	114.1
913	T	26.1	Very low	28.6	Very low	125 Å²	125	143.4 Å²	143.4	77%	0.767	78%	0.779	S	S	*	*			trans	-116	139.8	172	51.6	0	0	0	0	113.3
914	L	30.3	Very low	28.5	Very low	152 Å²	152	143.3 Å²	143.3	80%	0.796	78%	0.776	S	S	*	*			trans	-157.2	109.3	156.6	-87.4	119.3	0	0	0	109.4
915	T	30.1	Very low	28.2	Very low	111 Å²	111	145.4 Å²	145.4	68%	0.681	78%	0.776	S	S	*	*				53.1	107.4	99.7	61.8	0	0	0	0	115.3
916	V	25	Very low	28.2	Very low	135 Å²	135	142.5 Å²	142.5	82%	0.818	78%	0.778	S	S	*	*				68.2	106.1	75	176.9	0	0	0	0	114.4
917	V	29.2	Very low	28	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	78%	0.776	S	S	*	*			trans	-144.1	139.3	145.1	175.8	0	0	0	0	108.2
918	K	25	Very low	27.8	Very low	199 Å²	199	141.7 Å²	141.7	87%	0.865	78%	0.779	S	S	*	*			trans	-99.9	138.4	163.2	-66.9	177.7	-180	175	0	108.8
919	S	28.9	Very low	27.8	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	79%	0.785	S	S	*	*			trans	-134.9	140.7	160.1	52.1	0	0	0	0	110.3
920	H	27.6	Very low	27.7	Very low	169 Å²	169	142.6 Å²	142.6	78%	0.782	78%	0.783	S	S	*	*			trans	-118.2	162.9	-174.6	-123.7	-99.8	0	0	0	108.9
921	Q	25.3	Very low	27.6	Very low	163 Å²	163	140.7 Å²	140.7	76%	0.762	78%	0.78	S	S	*	*			trans	70.9	154.7	164.2	-112	71.8	-17.1	0	0	118.4
922	S	27.5	Very low	27.3	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	78%	0.775	S	S	*	*			trans	66.5	131.6	-170.6	-142	0	0	0	0	113.7
923	V	29.9	Very low	27.3	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	77%	0.767	S	S	*	*			cis	-114.7	139	17.7	174	0	0	0	0	112.2
924	K	25.7	Very low	27.5	Very low	187 Å²	187	139.9 Å²	139.9	81%	0.813	77%	0.77	S	S	*	*			trans	-102.2	161.2	157.4	-87.2	-173.3	174.2	-175.5	0	109
925	N	26.3	Very low	27.2	Very low	123 Å²	123	142 Å²	142	66%	0.658	78%	0.776	S	S	*	*			trans	79.4	87.3	169.5	-54.9	-4	0	0	0	116.5	F927	N925-F927 HydrophobicContact CB-CD2 4.43Å
926	S	29.9	Very low	27	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	77%	0.772	S	S	*	*			trans	-165.3	63.1	154.6	-69.4	0	0	0	0	105.4
927	F	25.6	Very low	27	Very low	156 Å²	156	139.4 Å²	139.4	68%	0.684	76%	0.763	S	S	*	*				58.3	102.1	69.2	-112.3	-78.4	0	0	0	112.4	N925	N925-F927 HydrophobicContact CB-CD2 4.43Å
928	E	24.8	Very low	26.9	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	76%	0.763	S	S	*	*			trans	48.3	83.2	151.5	-62.9	176.2	153.8	0	0	119.2
929	S	26.1	Very low	26.8	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	76%	0.761	S	S	*	*			trans	-160	165	142.6	-146.1	0	0	0	0	113.8
930	I	28.5	Very low	26.8	Very low	148 Å²	148	143 Å²	143	76%	0.759	76%	0.758	S	S	*	*			trans	63.4	73	168.7	-45.1	166.3	0	0	0	115.1
931	C	24.6	Very low	26.8	Very low	112 Å²	112	142 Å²	142	76%	0.757	76%	0.758	S	S	*	*			trans	-111.5	118.1	140.3	-80.5	0	0	0	0	107.6
932	N	25.1	Very low	26.8	Very low	133 Å²	133	143.2 Å²	143.2	71%	0.711	76%	0.764	S	S	*	*	S	Bend	trans	61.3	170.9	-176.7	-67	-21.8	0	0	0	115.2
933	P	31.7	Very low	26.8	Very low	100 Å²	100	144.7 Å²	144.7	65%	0.649	76%	0.763	S	S	*	*			cis	-129.8	130	-40.8	30.7	-14.9	0	0	0	111.9
934	I	29.7	Very low	26.7	Very low	161 Å²	161	145.2 Å²	145.2	83%	0.826	77%	0.771	S	S	*	*			trans	-120.2	84.2	179.4	-70.6	-175.8	0	0	0	111.4	T936	I934-T936 VanDerWaalsContact C-N 3.26Å
935	H	25.8	Very low	26.8	Very low	197 Å²	197	139.6 Å²	139.6	91%	0.912	77%	0.766	S	S	*	*			trans	-98.1	51.1	153.7	-168.6	-65.9	0	0	0	108.1
936	T	25.7	Very low	27	Very low	100 Å²	100	143.9 Å²	143.9	61%	0.613	78%	0.779	S	S	*	*			trans	-97.5	125	-166.4	-50.4	0	0	0	0	111.7	I934 L938	I934-T936 VanDerWaalsContact C-N 3.26Å; T936-L938 PolarHBondContact O-N 3.31Å
937	S	24.1	Very low	27.1	Very low	90 Å²	90	145.6 Å²	145.6	63%	0.629	78%	0.778	S	S	*	*			trans	-61.6	125	174.4	45	0	0	0	0	112.4	R939	S937-R939 PolarHBondContact O-N 2.74Å
938	L	26.5	Very low	27.6	Very low	158 Å²	158	143.3 Å²	143.3	83%	0.827	78%	0.779	S	S	*	*			trans	-75.2	79	149.2	-89.7	171.2	0	0	0	108.7	T936 M940	T936-L938 PolarHBondContact O-N 3.31Å; L938-M940 VanDerWaalsContact C-N 3.25Å; L938-M940 PolarHBondContact O-N 3.36Å
939	R	24.2	Very low	28	Very low	215 Å²	215	141 Å²	141	81%	0.811	78%	0.779	S	S	*	*			trans	-62.5	94.2	152.9	-86.7	-175.2	170.2	175.1	-2.9	107.4	S937 N941	S937-R939 PolarHBondContact O-N 2.74Å; R939-N941 PolarHBondContact O-N 2.99Å
940	M	27.7	Very low	28.2	Very low	158 Å²	158	147.2 Å²	147.2	78%	0.778	79%	0.785	S	S	*	*			trans	-66.6	124.4	153.5	-79.8	-71.6	165.1	0	0	106.9	L938 E942	L938-M940 VanDerWaalsContact C-N 3.25Å; L938-M940 PolarHBondContact O-N 3.36Å; M940-E942 PolarHBondContact O-N 2.68Å; M940-E942 VanDerWaalsContact O-N 3.16Å
941	N	27.8	Very low	28.2	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	79%	0.785	S	S	*	*			trans	-64.6	116.1	-176.1	-92.7	-16	0	0	0	111	R939 N943	R939-N941 PolarHBondContact O-N 2.99Å; N941-N943 PolarHBondContact O-N 3.08Å
942	E	25.9	Very low	28.6	Very low	190 Å²	190	147.6 Å²	147.6	89%	0.888	79%	0.788	S	S	*	*			trans	-68.7	84.1	158.6	-65.2	-177.7	134.3	0	0	108.8	M940	M940-E942 PolarHBondContact O-N 2.68Å; M940-E942 VanDerWaalsContact O-N 3.16Å
943	N	27.6	Very low	28.6	Very low	147 Å²	147	152.1 Å²	152.1	79%	0.786	80%	0.795	S	S	*	*			trans	-163.3	71.6	168.7	-105.4	-34.6	0	0	0	112.3	N941	N941-N943 PolarHBondContact O-N 3.08Å
944	C	28.5	Very low	28.7	Very low	137 Å²	137	153.1 Å²	153.1	93%	0.926	81%	0.805	S	S	*	*			trans	-146.8	68.1	162.8	-92.9	0	0	0	0	110
945	G	26.2	Very low	28.5	Very low	69 Å²	69	152.8 Å²	152.8	71%	0.711	81%	0.805	S	S	*	*			trans	-86.3	108.1	172.1	0	0	0	0	0	111.4
946	F	32.1	Very low	28.8	Very low	212 Å²	212	149.4 Å²	149.4	93%	0.93	80%	0.803	S	S	*	*			trans	-140.3	131.3	158.2	-109.4	-83.5	0	0	0	110.7
947	L	30.2	Very low	28.9	Very low	157 Å²	157	149.4 Å²	149.4	82%	0.822	81%	0.813	S	S	*	*			trans	-103.8	178	-177.8	-73.4	169.9	0	0	0	109.5
948	P	36.7	Very low	29.1	Very low	109 Å²	109	153.4 Å²	153.4	71%	0.708	83%	0.826	S	S	*	*			cis	-135.3	-179.2	-44.1	37.1	-22.2	0	0	0	112.1
949	S	33.5	Very low	29.1	Very low	105 Å²	105	155.8 Å²	155.8	73%	0.734	83%	0.829	S	S	*	*				170	145.3	118.4	50.8	0	0	0	0	115.2
950	R	29.8	Very low	29.2	Very low	245 Å²	245	150.4 Å²	150.4	93%	0.925	83%	0.825	S	S	*	*			trans	42.8	138.1	138	-68.1	-179.9	-176.9	-161.8	0.8	119.9
951	S	28	Very low	29.2	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	83%	0.826	S	S	*	*			cis	-170.6	-174.2	0.4	-169.8	0	0	0	0	110.9
952	I	33.5	Very low	29.3	Very low	162 Å²	162	152.1 Å²	152.1	83%	0.831	82%	0.818	S	S	*	*			trans	88.8	130.5	165.1	-54.2	179.5	0	0	0	116.5
953	R	26.3	Very low	29.5	Very low	227 Å²	227	147.9 Å²	147.9	86%	0.857	80%	0.8	S	S	*	*			trans	-104.1	157.8	179.7	-60.4	165.6	166.7	166.3	-8	110.5
954	S	32.7	Very low	29.5	Very low	121 Å²	121	149.4 Å²	149.4	85%	0.846	80%	0.796	S	S	*	*				-156.5	156.7	126.6	53.7	0	0	0	0	110.3
955	N	26	Very low	29.6	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	78%	0.782	S	S	*	*			trans	-106	140.3	-169.5	-61.4	-31.2	0	0	0	112
956	S	32.4	Very low	29.8	Very low	125 Å²	125	151 Å²	151	87%	0.874	78%	0.783	S	S	*	*			trans	-156	145.5	133.6	57.3	0	0	0	0	108.9
957	A	26.3	Very low	29.7	Very low	100 Å²	100	149.1 Å²	149.1	83%	0.826	78%	0.782	S	S	*	*			trans	-138.9	115	-170.3	0	0	0	0	0	112
958	I	29.9	Very low	29.6	Very low	174 Å²	174	147.5 Å²	147.5	89%	0.892	78%	0.778	S	S	*	*			trans	-131	139	161.2	-62.8	-176.1	0	0	0	107.4
959	K	25.3	Very low	29.2	Very low	208 Å²	208	147.4 Å²	147.4	90%	0.904	78%	0.78	S	S	*	*			trans	-85.2	130.5	-167.8	-61.2	167.4	-178.4	170.1	0	111.8
960	S	28	Very low	28.9	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	79%	0.788	S	S	*	*			trans	-139.5	91.5	158.5	48.2	0	0	0	0	109.8	Y962	S960-Y962 PolarHBondContact O-N 2.98Å; S960-Y962 VanDerWaalsContact O-N 3.12Å
961	K	27.2	Very low	28.8	Very low	181 Å²	181	142.9 Å²	142.9	79%	0.787	78%	0.775	S	S	*	*			trans	-80.2	86	175.1	-89	-168.5	171.1	-171.9	0	110.3	I963	K961-I963 HydrophobicContact CB-CG1 4.31Å; K961-I963 HydrophobicContact CD-CD1 3.78Å; K961-I963 HydrophobicContact CD-CG1 4.45Å; K961-I963 HydrophobicContact CG-CD1 3.96Å; K961-I963 HydrophobicContact CG-CG1 4.22Å; K961-I963 PolarHBondContact O-N 2.7Å
962	Y	30	Very low	29	Very low	161 Å²	161	144.3 Å²	144.3	63%	0.631	77%	0.774	S	S	*	*			trans	-90.8	80.7	153.7	-78	-68.8	0	0	0	108.8	S960	S960-Y962 PolarHBondContact O-N 2.98Å; S960-Y962 VanDerWaalsContact O-N 3.12Å
963	I	28.5	Very low	28.8	Very low	101 Å²	101	141 Å²	141	52%	0.518	76%	0.759	S	S	.	*			trans	-94.3	111.1	174.4	-61.4	-177.8	0	0	0	108.1	K961 T965	K961-I963 HydrophobicContact CB-CG1 4.31Å; K961-I963 HydrophobicContact CD-CD1 3.78Å; K961-I963 HydrophobicContact CD-CG1 4.45Å; K961-I963 HydrophobicContact CG-CD1 3.96Å; K961-I963 HydrophobicContact CG-CG1 4.22Å; K961-I963 PolarHBondContact O-N 2.7Å; I963-T965 HydrophobicContact CG2-CG2 3.64Å; I963-T965 PolarHBondContact O-N 2.73Å
964	Y	28.5	Very low	28.9	Very low	178 Å²	178	134.6 Å²	134.6	70%	0.698	75%	0.749	S	S	*	*			trans	-80.8	68.6	173.2	-147	-78.1	0	0	0	109.5	D966	Y964-D966 PolarHBondContact O-N 3.38Å
965	T	30.4	Very low	28.8	Very low	102 Å²	102	134.5 Å²	134.5	63%	0.626	74%	0.739	S	S	*	*			trans	-77.9	103.8	177.9	21.3	0	0	0	0	111.2	I963 L967	I963-T965 HydrophobicContact CG2-CG2 3.64Å; I963-T965 PolarHBondContact O-N 2.73Å; T965-L967 PolarHBondContact O-N 2.93Å
966	D	31	Very low	29	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	73%	0.731	S	S	*	*			trans	-65.4	115.9	159.8	-75.8	-44.2	0	0	0	109.4	Y964 T968	Y964-D966 PolarHBondContact O-N 3.38Å; D966-T968 PolarHBondContact O-N 3.38Å
967	L	28.7	Very low	28.8	Very low	172 Å²	172	134 Å²	134	90%	0.901	72%	0.724	S	S	*	*			trans	-84	87.2	-179.7	-85.7	166.6	0	0	0	111.3	T965	T965-L967 PolarHBondContact O-N 2.93Å
968	T	29.9	Very low	28.8	Very low	123 Å²	123	134.8 Å²	134.8	76%	0.755	72%	0.719	S	S	*	*			trans	-102.2	117.7	158.1	53.3	0	0	0	0	110.6	D966 C970	D966-T968 PolarHBondContact O-N 3.38Å; T968-C970 PolarHBondContact O-N 3.05Å
969	S	28.1	Very low	28.6	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	71%	0.712	S	S	*	*			trans	-53	130.2	178.9	-178.4	0	0	0	0	113.4	N971	S969-N971 PolarHBondContact OG-N 2.95Å
970	C	26.9	Very low	28.8	Very low	132 Å²	132	128 Å²	128	89%	0.892	71%	0.709	S	S	*	*			trans	-109	69.7	161.6	-78.6	0	0	0	0	109.9	T968	T968-C970 PolarHBondContact O-N 3.05Å
971	N	27.6	Very low	28.7	Very low	124 Å²	124	130.2 Å²	130.2	66%	0.663	71%	0.712	S	S	*	*			trans	-88.6	105.5	171.8	-174.2	21.9	0	0	0	110.3	S969	S969-N971 PolarHBondContact OG-N 2.95Å
972	N	32.3	Very low	28.8	Very low	136 Å²	136	126 Å²	126	73%	0.727	71%	0.706	S	S	*	*			trans	-154.6	104.6	164.8	-123.6	-37.1	0	0	0	113.6	K752 S974	K752-N972 PolarHBondContact NZ-OD1 3.36Å; N972-S974 PolarHBondContact O-N 2.88Å
973	N	29.7	Very low	28.8	Very low	93 Å²	93	126.9 Å²	126.9	50%	0.497	72%	0.716	S	S	.	*			trans	-57	123.8	176.2	-60	-3.9	0	0	0	112.6	K752	K752-N973 HydrophobicContact CD-CB 4.33Å; K752-N973 PolarHBondContact NZ-O 2.8Å
974	S	28.3	Very low	28.8	Very low	93 Å²	93	130.3 Å²	130.3	65%	0.65	74%	0.735	S	S	*	*				46.9	162.7	121.5	78.5	0	0	0	0	122	N972	N972-S974 PolarHBondContact O-N 2.88Å
975	N	30.4	Very low	29	Very low	118 Å²	118	126.1 Å²	126.1	63%	0.631	74%	0.737	S	S	*	*			trans	77.9	120.6	176.7	-47	12.7	0	0	0	112.6
976	N	29.4	Very low	29.1	Very low	127 Å²	127	126.2 Å²	126.2	68%	0.679	74%	0.742	S	S	*	*			cis	-147	143.6	-1	-96.2	-20.2	0	0	0	108.5
977	I	27.6	Very low	29.1	Very low	142 Å²	142	130.3 Å²	130.3	73%	0.728	75%	0.747	S	S	*	*				50.9	118.9	93.8	-50.9	176.8	0	0	0	111.1
978	T	26.8	Very low	29.3	Very low	117 Å²	117	130 Å²	130	72%	0.718	74%	0.741	S	S	*	*			cis	-147.6	159	32.4	-13.4	0	0	0	0	114.5
979	T	26.2	Very low	29.5	Very low	122 Å²	122	130.7 Å²	130.7	75%	0.748	74%	0.74	S	S	*	*			trans	4.6	141.8	145.2	58.7	0	0	0	0	120
980	S	28.5	Very low	29.8	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	74%	0.737	S	S	*	*				-144	154.7	81	55.1	0	0	0	0	116.2
981	N	27.8	Very low	30.3	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	73%	0.73	S	S	*	*			trans	-93.3	162.9	-176	-97	-22.5	0	0	0	113.2
982	S	28.1	Very low	30.6	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	73%	0.731	S	S	*	*			trans	-1.4	138.7	151.9	63.4	0	0	0	0	117.5
983	Q	29.4	Very low	30.7	Very low	179 Å²	179	130.6 Å²	130.6	84%	0.836	73%	0.734	S	S	*	*				-169.8	153.3	71.8	-84.2	173.1	0.6	0	0	110.9
984	N	29	Very low	30.9	Very low	173 Å²	173	130.9 Å²	130.9	93%	0.925	74%	0.743	S	S	*	*			trans	-157	81	155.2	-125.3	-24.5	0	0	0	111.2
985	A	32.3	Very low	31.1	Very low	89 Å²	89	130.6 Å²	130.6	74%	0.736	74%	0.741	S	S	*	*			trans	-149.6	69.6	179.2	0	0	0	0	0	111.5
986	S	32.4	Very low	31.2	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	75%	0.749	S	S	*	*			trans	21.1	107.8	153.6	61.1	0	0	0	0	119.5
987	R	31.6	Very low	31.3	Very low	224 Å²	224	136.7 Å²	136.7	85%	0.845	76%	0.756	S	S	*	*				176.3	133.4	106.8	-95.7	170.8	179.3	-177.7	-1.5	113.7
988	Q	33.9	Very low	31.5	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	76%	0.755	S	S	*	*			trans	60	125.9	146.4	-70.5	173.5	-45.9	0	0	121.8
989	N	32.8	Very low	31.9	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	75%	0.748	S	S	*	*			trans	77.4	92.8	138.8	-61.9	10.5	0	0	0	121
990	S	33.9	Very low	31.9	Very low	98 Å²	98	135 Å²	135	69%	0.685	75%	0.748	S	S	*	*				90.7	122.5	109.2	71.9	0	0	0	0	122.1
991	H	37.7	Very low	32	Very low	158 Å²	158	135.5 Å²	135.5	73%	0.731	74%	0.741	S	S	*	*			trans	84	118.5	145.4	-73.6	-56.7	0	0	0	122.8
992	N	33.6	Very low	31.9	Very low	129 Å²	129	133 Å²	133	69%	0.69	74%	0.735	S	S	*	*			trans	68.5	105	134.7	-57.6	1.5	0	0	0	117.7
993	S	34.7	Very low	32	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	74%	0.742	S	S	*	*				105.4	145.3	76.7	75.6	0	0	0	0	110.3
994	S	33.9	Very low	31.8	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	74%	0.735	S	S	*	*			cis	-156	162.3	-4	65.3	0	0	0	0	111.1
995	S	32.9	Very low	31.8	Very low	87 Å²	87	129.8 Å²	129.8	61%	0.608	72%	0.723	S	S	*	*			trans	36.7	131.9	137.1	80.4	0	0	0	0	119.9
996	K	32.6	Very low	31.6	Very low	187 Å²	187	134.3 Å²	134.3	81%	0.813	73%	0.726	S	S	*	*				-177.3	173.2	60.5	-76.4	173	-171.6	158.5	0	106.8
997	K	31.8	Very low	31.6	Very low	187 Å²	187	135.3 Å²	135.3	81%	0.813	73%	0.728	S	S	*	*			cis	-165.4	165.7	-8.9	-118.9	-166.5	176.2	-170.7	0	104.5
998	V	32.1	Very low	31.5	Very low	116 Å²	116	128.6 Å²	128.6	70%	0.703	72%	0.72	S	S	*	*			cis	-151.3	166.9	-6	91.6	0	0	0	0	106.7
999	P	34.7	Very low	31.4	Very low	90 Å²	90	127.5 Å²	127.5	58%	0.584	72%	0.715	S	S	*	*			trans	-125	-163.5	-159	46	-33.6	0	0	0	115
1000	N	26.9	Very low	31.2	Very low	138 Å²	138	127 Å²	127	74%	0.738	71%	0.706	S	S	*	*			trans	67.8	161.9	162.2	-58.1	0.3	0	0	0	115.1
1001	D	29.7	Very low	31.2	Very low	129 Å²	129	131.5 Å²	131.5	69%	0.69	71%	0.71	S	S	*	*			cis	-140.4	154.8	24.6	-102.3	-63	0	0	0	111.3
1002	S	26.3	Very low	30.8	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	71%	0.714	S	S	*	*				44.9	137.9	88.8	86.9	0	0	0	0	114.7
1003	E	29.3	Very low	30.7	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	72%	0.722	S	S	*	*			cis	-140.8	161.1	28.6	-61	-175.7	105.1	0	0	112.4
1004	S	26.3	Very low	30.8	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	72%	0.718	S	S	*	*				49	135.7	93.5	112.6	0	0	0	0	115.9
1005	V	29.1	Very low	30.5	Very low	111 Å²	111	136.5 Å²	136.5	67%	0.673	73%	0.726	S	S	*	*				-160.9	154.4	65.8	169.1	0	0	0	0	112.8
1006	K	27.6	Very low	30.4	Very low	185 Å²	185	137.4 Å²	137.4	80%	0.804	73%	0.73	S	S	*	*			trans	-10.4	152.4	151.7	-44.2	149.3	-160	165.6	0	116.9
1007	T	33	Very low	30.4	Very low	126 Å²	126	134.5 Å²	134.5	77%	0.773	73%	0.728	S	S	*	*			cis	-146.9	153.3	40.4	43.7	0	0	0	0	111.5
1008	A	29.4	Very low	30.4	Very low	83 Å²	83	133 Å²	133	69%	0.686	73%	0.728	S	S	*	*				62.1	136.5	62	0	0	0	0	0	113.1
1009	E	31.6	Very low	30.3	Very low	140 Å²	140	133.2 Å²	133.2	65%	0.654	73%	0.73	S	S	*	*			cis	-143.2	164.4	29.2	-60.5	-147.5	117.3	0	0	116.7
1010	K	28.5	Very low	30.2	Very low	129 Å²	129	136 Å²	136	56%	0.561	74%	0.74	S	S	*	*			trans	21.2	150	139.1	-47.5	158.8	-167.5	153.8	0	120.3
1011	Y	33.5	Very low	30.3	Very low	193 Å²	193	134.8 Å²	134.8	76%	0.757	74%	0.739	S	S	*	*			cis	-141.1	138.4	23.6	-73.9	-98.5	0	0	0	110.4
1012	K	29.4	Very low	30.2	Very low	191 Å²	191	139.9 Å²	139.9	83%	0.83	75%	0.749	S	S	*	*				42.8	111.9	86	-77.1	-171	173.8	-175.3	0	113.7
1013	T	30.8	Very low	30.5	Very low	140 Å²	140	140.4 Å²	140.4	86%	0.859	75%	0.748	S	S	*	*				-157.9	169.2	72.7	32.3	0	0	0	0	114.5
1014	P	36.6	Very low	30.3	Very low	108 Å²	108	139.9 Å²	139.9	70%	0.701	75%	0.75	S	S	*	*			trans	-113.9	-170.8	-178.5	42.9	-33.5	0	0	0	114.9
1015	L	28.1	Very low	30.6	Very low	162 Å²	162	141.2 Å²	141.2	85%	0.848	76%	0.755	S	S	*	*			trans	87.4	158	170.1	-64.2	156	0	0	0	117
1016	P	30.8	Very low	30.5	Very low	106 Å²	106	140.8 Å²	140.8	69%	0.688	76%	0.756	S	S	*	*			cis	-123.6	163.8	-4.1	35.6	-19.7	0	0	0	115.7
1017	T	33	Very low	30.8	Very low	126 Å²	126	141.4 Å²	141.4	77%	0.773	76%	0.762	S	S	*	*			trans	-90.3	132.8	164.6	-50	0	0	0	0	110.5
1018	L	31.4	Very low	30.5	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	76%	0.763	S	S	*	*			trans	-131.8	117	162	-71.1	168.6	0	0	0	106.5
1019	V	29.8	Very low	30.6	Very low	122 Å²	122	143.9 Å²	143.9	74%	0.739	77%	0.767	S	S	*	*				74.1	123.6	52.3	-175.1	0	0	0	0	112
1020	N	32.1	Very low	30.6	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	77%	0.773	S	S	*	*			trans	-63.1	170	-175.8	-62.6	-51.4	0	0	0	113.2
1021	P	30.9	Very low	30.5	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	78%	0.779	S	S	*	*				-125	140.7	108	35.2	-32.5	0	0	0	114.1
1022	R	27	Very low	30.3	Very low	237 Å²	237	139.9 Å²	139.9	89%	0.894	78%	0.778	S	S	*	*			trans	-68.7	137.4	150.8	-76.1	175	169.2	161.5	-6	107.4
1023	V	31.5	Very low	30.2	Very low	107 Å²	107	139.6 Å²	139.6	65%	0.648	78%	0.779	S	S	*	*			trans	-124.7	107.5	162.2	178.9	0	0	0	0	108.3	T1025	V1023-T1025 HydrophobicContact CG1-CG2 4.05Å
1024	N	26.2	Very low	30.1	Very low	157 Å²	157	140 Å²	140	84%	0.84	78%	0.775	S	S	*	*			trans	-78.2	124.7	159.4	-76.1	-6.9	0	0	0	107.5
1025	T	31.9	Very low	29.7	Very low	128 Å²	128	142.8 Å²	142.8	79%	0.785	78%	0.781	S	S	*	*			trans	-130.9	97.6	160.2	32.8	0	0	0	0	109	V1023	V1023-T1025 HydrophobicContact CG1-CG2 4.05Å
1026	S	27.1	Very low	29.9	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	77%	0.774	S	S	*	*			trans	-73.8	132.9	165.3	50.3	0	0	0	0	109.8
1027	H	34	Very low	29.8	Very low	197 Å²	197	144.3 Å²	144.3	91%	0.912	78%	0.783	S	S	*	*			trans	-151.5	142.1	144.7	-101.6	-70.5	0	0	0	110.6
1028	N	27	Very low	29.7	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	78%	0.777	S	S	*	*			trans	-83.2	144.8	-173.1	-62.1	-31.8	0	0	0	112.3
1029	S	31.8	Very low	29.6	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	78%	0.783	S	S	*	*			trans	-161.5	117.9	134.2	38	0	0	0	0	112.3
1030	H	31.2	Very low	29.5	Very low	169 Å²	169	145.2 Å²	145.2	78%	0.782	79%	0.79	S	S	*	*			trans	6.6	116.4	145.2	-67.4	-72	0	0	0	117.6
1031	S	26.1	Very low	29.4	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	78%	0.783	S	S	*	*				73.5	151.4	70.7	79.2	0	0	0	0	113.7
1032	P	30.5	Very low	29.3	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	79%	0.79	S	S	*	*			cis	-129.2	-178.2	15.7	42.7	-27.8	0	0	0	115.4
1033	Q	25.9	Very low	29.5	Very low	185 Å²	185	138.8 Å²	138.8	86%	0.864	78%	0.782	S	S	*	*			trans	-69.8	143.2	163.8	-65.5	149.2	-57.4	0	0	110.4
1034	L	30.1	Very low	29.6	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	78%	0.781	S	S	*	*			trans	-123.5	104.7	163.3	-106.6	166.7	0	0	0	109.1	I1036	L1034-I1036 HydrophobicContact CD2-CG1 4.41Å; L1034-I1036 PolarHBondContact O-N 3.02Å
1035	M	26.5	Very low	30.1	Very low	168 Å²	168	135.5 Å²	135.5	83%	0.828	77%	0.771	S	S	*	*			trans	-75.4	115.3	163.9	-69.4	-155.8	-59.2	0	0	108.4
1036	I	32.9	Very low	30.3	Very low	137 Å²	137	132.7 Å²	132.7	70%	0.703	76%	0.761	S	S	*	*			trans	-113	97	168.6	-59.8	-178.1	0	0	0	107.9	L1034 G1038	L1034-I1036 HydrophobicContact CD2-CG1 4.41Å; L1034-I1036 PolarHBondContact O-N 3.02Å; I1036-G1038 PolarHBondContact O-N 3.32Å; I1036-G1038 VanDerWaalsContact O-N 3.1Å
1037	N	28.6	Very low	30.6	Very low	163 Å²	163	135.7 Å²	135.7	87%	0.872	76%	0.761	S	S	*	*			trans	-69.7	98.9	163.8	-78.3	-30.2	0	0	0	108
1038	G	30.9	Very low	30.6	Very low	62 Å²	62	133 Å²	133	64%	0.639	75%	0.753	S	S	*	*			trans	-126.3	108.9	179.6	0	0	0	0	0	111.7	I1036 M1040	I1036-G1038 PolarHBondContact O-N 3.32Å; I1036-G1038 VanDerWaalsContact O-N 3.1Å; G1038-M1040 PolarHBondContact O-N 3.35Å
1039	L	28.8	Very low	31	Very low	180 Å²	180	130.4 Å²	130.4	94%	0.942	74%	0.739	S	S	*	*			trans	-70.2	115.6	175.2	-78.4	149.7	0	0	0	110.7
1040	M	27.8	Very low	31.2	Very low	179 Å²	179	134.7 Å²	134.7	88%	0.882	74%	0.738	S	S	*	*			trans	-139.9	150.7	163.3	-95.3	-74.4	155.5	0	0	109.8	G1038	G1038-M1040 PolarHBondContact O-N 3.35Å
1041	P	31.1	Very low	31.5	Very low	100 Å²	100	131.4 Å²	131.4	65%	0.649	73%	0.73	S	S	*	*			trans	-87.1	166.5	-146.1	32.6	-38.2	0	0	0	116	V1043	P1041-V1043 PolarHBondContact O-N 3.46Å
1042	V	28.2	Very low	31.9	Very low	146 Å²	146	129.9 Å²	129.9	89%	0.885	72%	0.723	S	S	*	*			trans	-67.3	87.5	179.2	-176.1	0	0	0	0	111.5
1043	V	32.1	Very low	32.4	Very low	117 Å²	117	131.1 Å²	131.1	71%	0.709	71%	0.713	S	S	*	*			trans	-79	126.3	169	-178.4	0	0	0	0	109.8	P1041	P1041-V1043 PolarHBondContact O-N 3.46Å
1044	T	32.7	Very low	33	Very low	103 Å²	103	131.8 Å²	131.8	63%	0.632	71%	0.708	S	S	*	*			trans	-59.5	136.2	-168.5	51.7	0	0	0	0	114.6	A1046	T1044-A1046 PolarHBondContact O-N 3.34Å
1045	S	37.1	Very low	33.2	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-10.3	-175.9	-177.4	0	0	0	0	116.6	N1049	S1045-N1049 PolarHBondContact O-ND2 3.16Å; S1045-N1049 VanDerWaalsContact O-ND2 3.15Å
1046	A	35.8	Very low	33.9	Very low	69 Å²	69	123.1 Å²	123.1	57%	0.57	68%	0.676	S	S	*	*	H	α-helix	trans	-69.4	-31.6	-175.7	0	0	0	0	0	114.7	T1044	T1044-A1046 PolarHBondContact O-N 3.34Å
1047	K	34.2	Very low	34.5	Very low	164 Å²	164	120.1 Å²	120.1	71%	0.713	66%	0.661	S	S	*	*	H	α-helix	trans	-76.6	-45.8	-173.9	-79.2	-176.7	175.6	178.9	0	113.5	N1049 R1050	K1047-N1049 PolarHBondContact O-N 3Å; K1047-R1050 PolarHBondContact O-N 2.86Å; K1047-R1050 VanDerWaalsContact O-N 3.16Å
1048	L	32.4	Very low	35.1	Very low	141 Å²	141	119.4 Å²	119.4	74%	0.738	65%	0.653	S	S	*	*	H	α-helix	trans	-61.1	-40.3	-177.7	-89.4	155.6	0	0	0	113	R1050 V1051 A1052	L1048-R1050 PolarHBondContact O-N 3.11Å; L1048-V1051 PolarHBondContact O-N 2.92Å; L1048-V1051 VanDerWaalsContact O-N 3.07Å; L1048-A1052 PolarHBondContact O-N 2.85Å
1049	N	36.7	Very low	35.5	Very low	97 Å²	97	123 Å²	123	52%	0.519	65%	0.653	S	S	.	*	H	α-helix	trans	-63.8	-23.6	178.1	-78.1	-60.4	0	0	0	114.1	S1045 K1047	S1045-N1049 PolarHBondContact O-ND2 3.16Å; S1045-N1049 VanDerWaalsContact O-ND2 3.15Å; K1047-N1049 PolarHBondContact O-N 3Å
1050	R	36.6	Very low	36.1	Very low	200 Å²	200	120 Å²	120	76%	0.755	63%	0.63	S	S	*	*	H	α-helix	trans	-76.7	-23.5	174	-78.9	-175.1	173.4	169.2	0	113.4	K1047 L1048 R1054	K1047-R1050 PolarHBondContact O-N 2.86Å; K1047-R1050 VanDerWaalsContact O-N 3.16Å; L1048-R1050 PolarHBondContact O-N 3.11Å; R1050-R1054 WeakPolarHBondContact O-CG 3.47Å
1051	V	36.1	Very low	36.7	Very low	100 Å²	100	118.1 Å²	118.1	61%	0.606	61%	0.614	S	S	*	*	H	α-helix	trans	-82.9	-50.4	179.5	-176.3	0	0	0	0	110.2	L1048 R1053 R1054 S1055	L1048-V1051 PolarHBondContact O-N 2.92Å; L1048-V1051 VanDerWaalsContact O-N 3.07Å; V1051-R1053 VanDerWaalsContact C-N 3.27Å; V1051-R1053 PolarHBondContact O-N 3.15Å; V1051-R1054 PolarHBondContact O-N 3.38Å; V1051-S1055 PolarHBondContact O-N 2.92Å
1052	A	35.7	Very low	37.1	Very low	64 Å²	64	122 Å²	122	53%	0.529	62%	0.616	S	S	.	*	H	α-helix	trans	-61.7	-30.5	-178.4	0	0	0	0	0	114	L1048 S1055	L1048-A1052 PolarHBondContact O-N 2.85Å; A1052-S1055 PolarHBondContact O-OG 3.25Å
1053	R	40.2	Very low	37.8	Very low	139 Å²	139	118.3 Å²	118.3	53%	0.525	59%	0.593	S	S	.	*	H	α-helix	trans	-77.5	-13.8	173	-74	-172.3	175.7	-156.4	0.8	114.2	L165 V1051 S1056 N1057	L165-R1053 PolarHBondContact O-NH1 3.46Å; V1051-R1053 VanDerWaalsContact C-N 3.27Å; V1051-R1053 PolarHBondContact O-N 3.15Å; R1053-S1056 PolarHBondContact O-OG 2.96Å; R1053-N1057 PolarHBondContact O-OD1 3.36Å; R1053-N1057 VanDerWaalsContact O-OD1 3.06Å
1054	R	38.2	Very low	38.3	Very low	200 Å²	200	115.9 Å²	115.9	76%	0.755	58%	0.579	S	S	*	*	H	α-helix	trans	-86.7	-37.4	179.7	-85.8	-179.5	166.1	-169.8	-5	112.6	R1050 V1051 N1057 Q1058	R1050-R1054 WeakPolarHBondContact O-CG 3.47Å; V1051-R1054 PolarHBondContact O-N 3.38Å; R1054-N1057 PolarHBondContact O-N 3.18Å; R1054-Q1058 PolarHBondContact O-N 3.02Å
1055	S	35.3	Very low	38.6	Very low	74 Å²	74	117.7 Å²	117.7	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-65.1	-48.2	175.8	44.4	0	0	0	0	111.9	V1051 A1052 N1057 Q1058 E1059	V1051-S1055 PolarHBondContact O-N 2.92Å; A1052-S1055 PolarHBondContact O-OG 3.25Å; S1055-N1057 PolarHBondContact O-N 2.85Å; S1055-N1057 VanDerWaalsContact O-N 3.17Å; S1055-Q1058 PolarHBondContact O-N 3.47Å; S1055-E1059 PolarHBondContact O-N 2.95Å
1056	S	41.4	Very low	38.5	Very low	58 Å²	58	120.2 Å²	120.2	41%	0.406	59%	0.59	S	S	.	*	H	α-helix	trans	-55.2	-35.4	176.1	57.9	0	0	0	0	113	R1053 E1059 Y1060	R1053-S1056 PolarHBondContact O-OG 2.96Å; S1056-E1059 PolarHBondContact O-N 3.26Å; S1056-Y1060 WeakPolarHBondContact O-CB 3.3Å; S1056-Y1060 PolarHBondContact O-N 3.18Å
1057	N	45.9	Very low	38.6	Very low	75 Å²	75	126.9 Å²	126.9	40%	0.401	61%	0.609	S	S	.	*	H	α-helix	trans	-74.3	-35.4	-177.8	-71.9	18.1	0	0	0	112.4	R1053 R1054 S1055 E1059 Y1060 Y1061	R1053-N1057 PolarHBondContact O-OD1 3.36Å; R1053-N1057 VanDerWaalsContact O-OD1 3.06Å; R1054-N1057 PolarHBondContact O-N 3.18Å; S1055-N1057 PolarHBondContact O-N 2.85Å; S1055-N1057 VanDerWaalsContact O-N 3.17Å; N1057-E1059 VanDerWaalsContact C-N 3.29Å; N1057-E1059 PolarHBondContact O-N 2.9Å; N1057-Y1060 PolarHBondContact O-N 2.87Å; N1057-Y1061 WeakPolarHBondContact O-CB 3.4Å; N1057-Y1061 WeakPolarHBondContact O-CD2 3.23Å; N1057-Y1061 PolarHBondContact O-N 3.1Å
1058	Q	39.1	Very low	38.8	Very low	148 Å²	148	125.1 Å²	125.1	69%	0.692	60%	0.604	S	S	*	*	H	α-helix	trans	-65.2	-34.7	174.5	-82.4	-170	-38.5	0	0	112.3	R1054 S1055 R1062	R1054-Q1058 PolarHBondContact O-N 3.02Å; S1055-Q1058 PolarHBondContact O-N 3.47Å; Q1058-R1062 PolarHBondContact O-N 3.4Å
1059	E	41.1	Very low	39.2	Very low	137 Å²	137	124.2 Å²	124.2	64%	0.64	60%	0.597	S	S	*	*	H	α-helix	trans	-73.4	-43.8	177.1	-154.5	149.1	-123.9	0	0	110.9	S1055 S1056 N1057 Y1061 R1062 T1063	S1055-E1059 PolarHBondContact O-N 2.95Å; S1056-E1059 PolarHBondContact O-N 3.26Å; N1057-E1059 VanDerWaalsContact C-N 3.29Å; N1057-E1059 PolarHBondContact O-N 2.9Å; E1059-Y1061 PolarHBondContact O-N 2.89Å; E1059-R1062 WeakPolarHBondContact O-CB 3.35Å; E1059-R1062 PolarHBondContact O-N 2.83Å; E1059-T1063 PolarHBondContact O-N 3.03Å; E1059-T1063 VanDerWaalsContact O-N 3.09Å; E1059-T1063 PolarHBondContact O-OG1 3.26Å
1060	Y	40.8	Very low	39.3	Very low	116 Å²	116	125.7 Å²	125.7	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-59.6	-43.4	173	-174.7	-107.8	0	0	0	113.1	S1056 N1057 R1062 T1063 V1064	S1056-Y1060 WeakPolarHBondContact O-CB 3.3Å; S1056-Y1060 PolarHBondContact O-N 3.18Å; N1057-Y1060 PolarHBondContact O-N 2.87Å; Y1060-R1062 PolarHBondContact O-N 3.02Å; Y1060-T1063 PolarHBondContact O-N 2.88Å; Y1060-T1063 VanDerWaalsContact O-N 3.16Å; Y1060-V1064 HydrophobicContact CD1-CG2 4.25Å; Y1060-V1064 HydrophobicContact CD2-CG2 4.36Å; Y1060-V1064 HydrophobicContact CE1-CG2 3.86Å; Y1060-V1064 HydrophobicContact CE2-CG2 3.97Å; Y1060-V1064 HydrophobicContact CG-CG2 4.48Å; Y1060-V1064 WeakPolarHBondContact O-CG2 3.43Å; Y1060-V1064 PolarHBondContact O-N 3.48Å
1061	Y	40.3	Very low	39.5	Very low	141 Å²	141	121.4 Å²	121.4	55%	0.553	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-23.2	174.7	-85.6	-63.7	0	0	0	113.5	N1057 E1059 L1065	N1057-Y1061 WeakPolarHBondContact O-CB 3.4Å; N1057-Y1061 WeakPolarHBondContact O-CD2 3.23Å; N1057-Y1061 PolarHBondContact O-N 3.1Å; E1059-Y1061 PolarHBondContact O-N 2.89Å; Y1061-L1065 WeakPolarHBondContact O-CB 3.39Å; Y1061-L1065 WeakPolarHBondContact O-CD1 3.37Å; Y1061-L1065 VanDerWaalsContact O-CG 3.31Å; Y1061-L1065 WeakPolarHBondContact O-CG 3.43Å; Y1061-L1065 PolarHBondContact O-N 3.09Å
1062	R	38.5	Very low	39.7	Very low	182 Å²	182	122.7 Å²	122.7	69%	0.687	59%	0.592	S	S	*	*	H	α-helix	trans	-74	-41.3	169.8	-80.2	177.2	170	163	-2.4	111.6	Q1058 E1059 Y1060 L1065 N1066	Q1058-R1062 PolarHBondContact O-N 3.4Å; E1059-R1062 WeakPolarHBondContact O-CB 3.35Å; E1059-R1062 PolarHBondContact O-N 2.83Å; Y1060-R1062 PolarHBondContact O-N 3.02Å; R1062-L1065 PolarHBondContact O-N 3.42Å; R1062-N1066 VanDerWaalsContact O-CG 3.28Å; R1062-N1066 PolarHBondContact O-N 3.37Å; R1062-N1066 PolarHBondContact O-ND2 2.72Å
1063	T	43.7	Very low	39.9	Very low	68 Å²	68	126.6 Å²	126.6	42%	0.417	60%	0.596	S	S	.	*	H	α-helix	trans	-62.7	-47.6	175.5	-48.1	0	0	0	0	111.1	E1059 Y1060 L1065 N1066 E1067	E1059-T1063 PolarHBondContact O-N 3.03Å; E1059-T1063 VanDerWaalsContact O-N 3.09Å; E1059-T1063 PolarHBondContact O-OG1 3.26Å; Y1060-T1063 PolarHBondContact O-N 2.88Å; Y1060-T1063 VanDerWaalsContact O-N 3.16Å; T1063-L1065 PolarHBondContact O-N 2.87Å; T1063-L1065 VanDerWaalsContact O-N 3.12Å; T1063-N1066 PolarHBondContact O-N 2.95Å; T1063-E1067 HydrophobicContact CG2-CG 4.4Å; T1063-E1067 PolarHBondContact O-N 3.05Å
1064	V	42.8	Very low	39.9	Very low	66 Å²	66	125.7 Å²	125.7	40%	0.4	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-2	-179.5	179	0	0	0	0	113.6	Y1060	Y1060-V1064 HydrophobicContact CD1-CG2 4.25Å; Y1060-V1064 HydrophobicContact CD2-CG2 4.36Å; Y1060-V1064 HydrophobicContact CE1-CG2 3.86Å; Y1060-V1064 HydrophobicContact CE2-CG2 3.97Å; Y1060-V1064 HydrophobicContact CG-CG2 4.48Å; Y1060-V1064 WeakPolarHBondContact O-CG2 3.43Å; Y1060-V1064 PolarHBondContact O-N 3.48Å
1065	L	38.1	Very low	40	Very low	141 Å²	141	120 Å²	120	74%	0.738	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-2.5	167.6	-75.9	171.8	0	0	0	113.3	Y1061 R1062 T1063	Y1061-L1065 WeakPolarHBondContact O-CB 3.39Å; Y1061-L1065 WeakPolarHBondContact O-CD1 3.37Å; Y1061-L1065 VanDerWaalsContact O-CG 3.31Å; Y1061-L1065 WeakPolarHBondContact O-CG 3.43Å; Y1061-L1065 PolarHBondContact O-N 3.09Å; R1062-L1065 PolarHBondContact O-N 3.42Å; T1063-L1065 PolarHBondContact O-N 2.87Å; T1063-L1065 VanDerWaalsContact O-N 3.12Å
1066	N	35.3	Very low	40.4	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-14.4	177.1	-71.2	-22.7	0	0	0	113	R1062 T1063	R1062-N1066 VanDerWaalsContact O-CG 3.28Å; R1062-N1066 PolarHBondContact O-N 3.37Å; R1062-N1066 PolarHBondContact O-ND2 2.72Å; T1063-N1066 PolarHBondContact O-N 2.95Å
1067	E	38.3	Very low	40.4	Very low	209 Å²	209	129.8 Å²	129.8	98%	0.977	61%	0.612	S	S	*	*			trans	-89.6	0	166.3	-67.4	-176.3	164.7	0	0	112	T1063	T1063-E1067 HydrophobicContact CG2-CG 4.4Å; T1063-E1067 PolarHBondContact O-N 3.05Å

Retrieved 1,067 of 1,067 residues in 713.5 ms (Link to these results)

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